USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=26 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 Set 1.1: A 82 HIS : no HD1:sc= -1.08 K(o=-0.14,f=-3!) USER MOD Set 1.2: A 92 SER OG : rot 112:sc= 0.94 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 31:sc= 0.29 USER MOD Single : A 44 GLN : amide:sc= -2.06! C(o=-2.1!,f=-1.9!) USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= -0.002 (180deg=-0.709) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 149:sc= -0.574 (180deg=-1.79) USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0166) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= -0.0361 (180deg=-0.273) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.372 K(o=-0.37,f=-3!) USER MOD Single : A 73 MET CE :methyl 153:sc= -0.26 (180deg=-0.985) USER MOD Single : A 74 ASN : amide:sc= 0.652 K(o=0.65,f=-6.1!) 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 91 THR OG1 : rot -179:sc= 0 USER MOD Single : A 94 SER OG : rot 17:sc= 0.944 USER MOD Single : A 101 CYS SG : rot 65:sc= 0.189 USER MOD Single : A 103 TYR OH : rot 32:sc= -0.0614 USER MOD Single : A 105 MET CE :methyl -150:sc= 0 (180deg=-0.54) USER MOD Single : A 108 LYS NZ :NH3+ -128:sc= 0.264 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0203) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -41:sc= 0.765 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 19.103 -1.037 13.204 1.00 0.00 N ATOM 2 CA GLY A 37 17.713 -1.405 13.401 1.00 0.00 C ATOM 3 C GLY A 37 16.787 -0.205 13.376 1.00 0.00 C ATOM 4 O GLY A 37 17.103 0.819 12.772 1.00 0.00 O ATOM 0 HA2 GLY A 37 17.413 -2.108 12.624 1.00 0.00 H new ATOM 0 HA3 GLY A 37 17.609 -1.921 14.355 1.00 0.00 H new ATOM 8 N SER A 38 15.638 -0.333 14.033 1.00 0.00 N ATOM 9 CA SER A 38 14.660 0.748 14.080 1.00 0.00 C ATOM 10 C SER A 38 14.180 0.985 15.508 1.00 0.00 C ATOM 11 O SER A 38 14.379 0.148 16.388 1.00 0.00 O ATOM 12 CB SER A 38 13.469 0.425 13.176 1.00 0.00 C ATOM 13 OG SER A 38 13.861 0.371 11.815 1.00 0.00 O ATOM 0 H SER A 38 15.362 -1.174 14.540 1.00 0.00 H new ATOM 0 HA SER A 38 15.143 1.658 13.723 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.034 -0.530 13.470 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.695 1.182 13.305 1.00 0.00 H new ATOM 0 HG SER A 38 13.082 0.161 11.258 1.00 0.00 H new ATOM 19 N SER A 39 13.546 2.132 15.730 1.00 0.00 N ATOM 20 CA SER A 39 13.040 2.482 17.052 1.00 0.00 C ATOM 21 C SER A 39 11.539 2.751 17.005 1.00 0.00 C ATOM 22 O SER A 39 10.987 3.076 15.955 1.00 0.00 O ATOM 23 CB SER A 39 13.773 3.711 17.593 1.00 0.00 C ATOM 24 OG SER A 39 14.924 3.335 18.328 1.00 0.00 O ATOM 0 H SER A 39 13.371 2.835 15.012 1.00 0.00 H new ATOM 0 HA SER A 39 13.220 1.638 17.718 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.062 4.360 16.766 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.102 4.287 18.231 1.00 0.00 H new ATOM 0 HG SER A 39 15.376 4.138 18.662 1.00 0.00 H new ATOM 30 N GLY A 40 10.883 2.612 18.153 1.00 0.00 N ATOM 31 CA GLY A 40 9.452 2.843 18.223 1.00 0.00 C ATOM 32 C GLY A 40 9.108 4.310 18.384 1.00 0.00 C ATOM 33 O GLY A 40 8.270 4.671 19.211 1.00 0.00 O ATOM 0 H GLY A 40 11.317 2.343 19.036 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.981 2.460 17.318 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.037 2.282 19.060 1.00 0.00 H new ATOM 37 N SER A 41 9.758 5.159 17.594 1.00 0.00 N ATOM 38 CA SER A 41 9.521 6.596 17.657 1.00 0.00 C ATOM 39 C SER A 41 9.789 7.251 16.306 1.00 0.00 C ATOM 40 O SER A 41 10.647 6.803 15.546 1.00 0.00 O ATOM 41 CB SER A 41 10.406 7.234 18.730 1.00 0.00 C ATOM 42 OG SER A 41 9.881 8.481 19.149 1.00 0.00 O ATOM 0 H SER A 41 10.453 4.876 16.903 1.00 0.00 H new ATOM 0 HA SER A 41 8.475 6.755 17.917 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.486 6.564 19.586 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.414 7.373 18.339 1.00 0.00 H new ATOM 0 HG SER A 41 10.464 8.867 19.836 1.00 0.00 H new ATOM 48 N SER A 42 9.047 8.315 16.013 1.00 0.00 N ATOM 49 CA SER A 42 9.201 9.030 14.751 1.00 0.00 C ATOM 50 C SER A 42 10.555 9.729 14.685 1.00 0.00 C ATOM 51 O SER A 42 10.881 10.557 15.535 1.00 0.00 O ATOM 52 CB SER A 42 8.077 10.053 14.581 1.00 0.00 C ATOM 53 OG SER A 42 8.181 11.091 15.541 1.00 0.00 O ATOM 0 H SER A 42 8.334 8.701 16.632 1.00 0.00 H new ATOM 0 HA SER A 42 9.147 8.303 13.940 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.116 10.477 13.577 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.112 9.557 14.681 1.00 0.00 H new ATOM 0 HG SER A 42 9.123 11.231 15.771 1.00 0.00 H new ATOM 59 N GLY A 43 11.341 9.389 13.668 1.00 0.00 N ATOM 60 CA GLY A 43 12.651 9.993 13.508 1.00 0.00 C ATOM 61 C GLY A 43 13.235 9.754 12.130 1.00 0.00 C ATOM 62 O GLY A 43 13.723 10.683 11.487 1.00 0.00 O ATOM 0 H GLY A 43 11.094 8.706 12.952 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.577 11.066 13.687 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.328 9.590 14.261 1.00 0.00 H new ATOM 66 N GLN A 44 13.187 8.505 11.677 1.00 0.00 N ATOM 67 CA GLN A 44 13.718 8.148 10.367 1.00 0.00 C ATOM 68 C GLN A 44 12.591 7.842 9.387 1.00 0.00 C ATOM 69 O GLN A 44 12.824 7.309 8.302 1.00 0.00 O ATOM 70 CB GLN A 44 14.650 6.940 10.484 1.00 0.00 C ATOM 71 CG GLN A 44 13.924 5.640 10.793 1.00 0.00 C ATOM 72 CD GLN A 44 13.394 5.592 12.213 1.00 0.00 C ATOM 73 OE1 GLN A 44 14.162 5.556 13.174 1.00 0.00 O ATOM 74 NE2 GLN A 44 12.073 5.590 12.352 1.00 0.00 N ATOM 0 H GLN A 44 12.786 7.725 12.197 1.00 0.00 H new ATOM 0 HA GLN A 44 14.283 8.999 9.987 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.202 6.826 9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.384 7.132 11.267 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.096 5.516 10.095 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.603 4.802 10.634 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.473 5.621 11.527 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.658 5.558 13.283 1.00 0.00 H new ATOM 83 N LYS A 45 11.367 8.184 9.776 1.00 0.00 N ATOM 84 CA LYS A 45 10.201 7.947 8.932 1.00 0.00 C ATOM 85 C LYS A 45 10.262 8.802 7.670 1.00 0.00 C ATOM 86 O LYS A 45 10.018 8.314 6.566 1.00 0.00 O ATOM 87 CB LYS A 45 8.916 8.251 9.705 1.00 0.00 C ATOM 88 CG LYS A 45 8.599 7.228 10.782 1.00 0.00 C ATOM 89 CD LYS A 45 7.722 7.821 11.873 1.00 0.00 C ATOM 90 CE LYS A 45 6.248 7.744 11.506 1.00 0.00 C ATOM 91 NZ LYS A 45 5.850 8.839 10.580 1.00 0.00 N ATOM 0 H LYS A 45 11.157 8.626 10.671 1.00 0.00 H new ATOM 0 HA LYS A 45 10.202 6.897 8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.003 9.236 10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.083 8.299 9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.095 6.371 10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.527 6.860 11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.893 7.289 12.809 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.002 8.861 12.042 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.039 6.781 11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.645 7.797 12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.839 9.047 10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.407 9.691 10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.026 8.544 9.598 1.00 0.00 H new ATOM 105 N VAL A 46 10.588 10.079 7.840 1.00 0.00 N ATOM 106 CA VAL A 46 10.683 11.001 6.714 1.00 0.00 C ATOM 107 C VAL A 46 11.216 10.297 5.471 1.00 0.00 C ATOM 108 O VAL A 46 10.497 10.125 4.488 1.00 0.00 O ATOM 109 CB VAL A 46 11.595 12.198 7.044 1.00 0.00 C ATOM 110 CG1 VAL A 46 11.743 13.106 5.833 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.049 12.970 8.236 1.00 0.00 C ATOM 0 H VAL A 46 10.791 10.499 8.747 1.00 0.00 H new ATOM 0 HA VAL A 46 9.675 11.366 6.517 1.00 0.00 H new ATOM 0 HB VAL A 46 12.583 11.819 7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.390 13.946 6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.182 12.544 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.763 13.480 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.705 13.812 8.456 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.050 13.339 8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.000 12.312 9.104 1.00 0.00 H new ATOM 121 N GLU A 47 12.481 9.892 5.524 1.00 0.00 N ATOM 122 CA GLU A 47 13.111 9.207 4.401 1.00 0.00 C ATOM 123 C GLU A 47 12.156 8.192 3.779 1.00 0.00 C ATOM 124 O GLU A 47 11.820 8.283 2.598 1.00 0.00 O ATOM 125 CB GLU A 47 14.392 8.505 4.857 1.00 0.00 C ATOM 126 CG GLU A 47 15.577 9.443 5.013 1.00 0.00 C ATOM 127 CD GLU A 47 16.885 8.702 5.211 1.00 0.00 C ATOM 128 OE1 GLU A 47 16.844 7.531 5.644 1.00 0.00 O ATOM 129 OE2 GLU A 47 17.950 9.292 4.932 1.00 0.00 O ATOM 0 H GLU A 47 13.089 10.026 6.332 1.00 0.00 H new ATOM 0 HA GLU A 47 13.363 9.953 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.205 8.008 5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.647 7.728 4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.653 10.077 4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.405 10.102 5.864 1.00 0.00 H new ATOM 136 N PHE A 48 11.722 7.226 4.582 1.00 0.00 N ATOM 137 CA PHE A 48 10.808 6.193 4.110 1.00 0.00 C ATOM 138 C PHE A 48 9.686 6.801 3.272 1.00 0.00 C ATOM 139 O PHE A 48 9.400 6.336 2.169 1.00 0.00 O ATOM 140 CB PHE A 48 10.216 5.426 5.295 1.00 0.00 C ATOM 141 CG PHE A 48 9.140 4.454 4.903 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.456 3.286 4.228 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.813 4.708 5.210 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.468 2.390 3.865 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.821 3.816 4.850 1.00 0.00 C ATOM 146 CZ PHE A 48 7.149 2.655 4.178 1.00 0.00 C ATOM 0 H PHE A 48 11.989 7.137 5.563 1.00 0.00 H new ATOM 0 HA PHE A 48 11.372 5.502 3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.015 4.886 5.803 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.807 6.139 6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.486 3.073 3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.551 5.614 5.737 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.727 1.484 3.337 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.790 4.027 5.094 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.375 1.955 3.898 1.00 0.00 H new ATOM 156 N ARG A 49 9.055 7.842 3.805 1.00 0.00 N ATOM 157 CA ARG A 49 7.964 8.513 3.109 1.00 0.00 C ATOM 158 C ARG A 49 8.403 8.964 1.719 1.00 0.00 C ATOM 159 O ARG A 49 7.697 8.751 0.733 1.00 0.00 O ATOM 160 CB ARG A 49 7.478 9.716 3.918 1.00 0.00 C ATOM 161 CG ARG A 49 6.035 10.100 3.631 1.00 0.00 C ATOM 162 CD ARG A 49 5.372 10.724 4.849 1.00 0.00 C ATOM 163 NE ARG A 49 4.058 11.277 4.533 1.00 0.00 N ATOM 164 CZ ARG A 49 3.879 12.395 3.838 1.00 0.00 C ATOM 165 NH1 ARG A 49 4.924 13.075 3.388 1.00 0.00 N ATOM 166 NH2 ARG A 49 2.651 12.835 3.591 1.00 0.00 N ATOM 0 H ARG A 49 9.281 8.239 4.717 1.00 0.00 H new ATOM 0 HA ARG A 49 7.144 7.803 3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.582 9.495 4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.121 10.570 3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.003 10.802 2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.476 9.216 3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.270 9.972 5.632 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.011 11.513 5.246 1.00 0.00 H new ATOM 0 HE ARG A 49 3.232 10.778 4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.869 12.740 3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.783 13.933 2.855 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.844 12.315 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.515 13.693 3.057 1.00 0.00 H new ATOM 180 N LYS A 50 9.573 9.590 1.647 1.00 0.00 N ATOM 181 CA LYS A 50 10.107 10.071 0.379 1.00 0.00 C ATOM 182 C LYS A 50 10.116 8.959 -0.665 1.00 0.00 C ATOM 183 O LYS A 50 9.546 9.105 -1.746 1.00 0.00 O ATOM 184 CB LYS A 50 11.525 10.615 0.573 1.00 0.00 C ATOM 185 CG LYS A 50 11.629 11.666 1.665 1.00 0.00 C ATOM 186 CD LYS A 50 10.886 12.937 1.288 1.00 0.00 C ATOM 187 CE LYS A 50 11.752 13.859 0.444 1.00 0.00 C ATOM 188 NZ LYS A 50 10.935 14.701 -0.474 1.00 0.00 N ATOM 0 H LYS A 50 10.170 9.776 2.453 1.00 0.00 H new ATOM 0 HA LYS A 50 9.462 10.874 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.193 9.788 0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.872 11.044 -0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.222 11.268 2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.678 11.898 1.850 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.981 12.681 0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.572 13.458 2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.342 14.502 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.456 13.264 -0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.562 15.315 -1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.391 14.089 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.281 15.288 0.083 1.00 0.00 H new ATOM 202 N ARG A 51 10.766 7.848 -0.334 1.00 0.00 N ATOM 203 CA ARG A 51 10.849 6.712 -1.243 1.00 0.00 C ATOM 204 C ARG A 51 9.464 6.320 -1.751 1.00 0.00 C ATOM 205 O ARG A 51 9.272 6.091 -2.945 1.00 0.00 O ATOM 206 CB ARG A 51 11.503 5.519 -0.544 1.00 0.00 C ATOM 207 CG ARG A 51 11.987 4.442 -1.502 1.00 0.00 C ATOM 208 CD ARG A 51 12.028 3.078 -0.831 1.00 0.00 C ATOM 209 NE ARG A 51 13.008 2.191 -1.453 1.00 0.00 N ATOM 210 CZ ARG A 51 13.003 0.871 -1.306 1.00 0.00 C ATOM 211 NH1 ARG A 51 12.074 0.288 -0.561 1.00 0.00 N ATOM 212 NH2 ARG A 51 13.928 0.132 -1.904 1.00 0.00 N ATOM 0 H ARG A 51 11.243 7.711 0.557 1.00 0.00 H new ATOM 0 HA ARG A 51 11.461 7.005 -2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.347 5.873 0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.788 5.080 0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.328 4.402 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.981 4.699 -1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.269 3.201 0.225 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.040 2.619 -0.882 1.00 0.00 H new ATOM 0 HE ARG A 51 13.736 2.608 -2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.361 0.853 -0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.072 -0.726 -0.449 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.644 0.577 -2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.923 -0.882 -1.790 1.00 0.00 H new ATOM 226 N MET A 52 8.503 6.245 -0.836 1.00 0.00 N ATOM 227 CA MET A 52 7.136 5.882 -1.192 1.00 0.00 C ATOM 228 C MET A 52 6.577 6.836 -2.243 1.00 0.00 C ATOM 229 O MET A 52 5.910 6.412 -3.186 1.00 0.00 O ATOM 230 CB MET A 52 6.243 5.892 0.050 1.00 0.00 C ATOM 231 CG MET A 52 6.673 4.896 1.115 1.00 0.00 C ATOM 232 SD MET A 52 6.735 3.203 0.499 1.00 0.00 S ATOM 233 CE MET A 52 8.460 3.074 0.034 1.00 0.00 C ATOM 0 H MET A 52 8.645 6.431 0.157 1.00 0.00 H new ATOM 0 HA MET A 52 7.151 4.876 -1.611 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.243 6.894 0.480 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.218 5.673 -0.248 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.656 5.177 1.494 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.981 4.947 1.955 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.796 2.045 0.163 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.578 3.366 -1.009 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.057 3.732 0.665 1.00 0.00 H new ATOM 243 N GLU A 53 6.852 8.125 -2.072 1.00 0.00 N ATOM 244 CA GLU A 53 6.374 9.138 -3.006 1.00 0.00 C ATOM 245 C GLU A 53 6.877 8.855 -4.419 1.00 0.00 C ATOM 246 O GLU A 53 6.104 8.858 -5.377 1.00 0.00 O ATOM 247 CB GLU A 53 6.829 10.529 -2.560 1.00 0.00 C ATOM 248 CG GLU A 53 6.311 10.928 -1.189 1.00 0.00 C ATOM 249 CD GLU A 53 6.980 12.179 -0.654 1.00 0.00 C ATOM 250 OE1 GLU A 53 8.133 12.451 -1.051 1.00 0.00 O ATOM 251 OE2 GLU A 53 6.353 12.886 0.162 1.00 0.00 O ATOM 0 H GLU A 53 7.403 8.492 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 53 5.285 9.105 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.919 10.560 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.496 11.264 -3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.235 11.092 -1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.473 10.107 -0.491 1.00 0.00 H new ATOM 258 N LYS A 54 8.177 8.612 -4.541 1.00 0.00 N ATOM 259 CA LYS A 54 8.785 8.326 -5.835 1.00 0.00 C ATOM 260 C LYS A 54 8.248 7.020 -6.412 1.00 0.00 C ATOM 261 O LYS A 54 7.884 6.953 -7.585 1.00 0.00 O ATOM 262 CB LYS A 54 10.307 8.250 -5.701 1.00 0.00 C ATOM 263 CG LYS A 54 11.041 8.360 -7.027 1.00 0.00 C ATOM 264 CD LYS A 54 11.023 9.784 -7.556 1.00 0.00 C ATOM 265 CE LYS A 54 11.989 10.676 -6.791 1.00 0.00 C ATOM 266 NZ LYS A 54 13.402 10.438 -7.194 1.00 0.00 N ATOM 0 H LYS A 54 8.831 8.607 -3.758 1.00 0.00 H new ATOM 0 HA LYS A 54 8.527 9.137 -6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.645 9.048 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.575 7.307 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.072 8.030 -6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.580 7.694 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.287 9.784 -8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.014 10.189 -7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.733 11.721 -6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.881 10.495 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.020 11.122 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.681 9.472 -6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.493 10.553 -8.224 1.00 0.00 H new ATOM 280 N GLU A 55 8.201 5.986 -5.578 1.00 0.00 N ATOM 281 CA GLU A 55 7.708 4.682 -6.007 1.00 0.00 C ATOM 282 C GLU A 55 6.264 4.778 -6.490 1.00 0.00 C ATOM 283 O GLU A 55 5.956 4.444 -7.634 1.00 0.00 O ATOM 284 CB GLU A 55 7.808 3.672 -4.862 1.00 0.00 C ATOM 285 CG GLU A 55 9.237 3.338 -4.468 1.00 0.00 C ATOM 286 CD GLU A 55 10.089 2.930 -5.655 1.00 0.00 C ATOM 287 OE1 GLU A 55 9.724 1.952 -6.340 1.00 0.00 O ATOM 288 OE2 GLU A 55 11.120 3.591 -5.899 1.00 0.00 O ATOM 0 H GLU A 55 8.498 6.026 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 55 8.329 4.343 -6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.283 4.068 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.296 2.754 -5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.688 4.203 -3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.229 2.530 -3.736 1.00 0.00 H new ATOM 295 N VAL A 56 5.381 5.238 -5.609 1.00 0.00 N ATOM 296 CA VAL A 56 3.969 5.380 -5.944 1.00 0.00 C ATOM 297 C VAL A 56 3.790 6.097 -7.278 1.00 0.00 C ATOM 298 O VAL A 56 3.255 5.531 -8.231 1.00 0.00 O ATOM 299 CB VAL A 56 3.208 6.154 -4.852 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.764 6.388 -5.271 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.272 5.408 -3.528 1.00 0.00 C ATOM 0 H VAL A 56 5.619 5.519 -4.658 1.00 0.00 H new ATOM 0 HA VAL A 56 3.559 4.373 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 56 3.685 7.125 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.242 6.936 -4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.742 6.967 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.272 5.429 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.729 5.969 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.820 4.423 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.313 5.297 -3.223 1.00 0.00 H new ATOM 311 N SER A 57 4.242 7.345 -7.338 1.00 0.00 N ATOM 312 CA SER A 57 4.129 8.141 -8.554 1.00 0.00 C ATOM 313 C SER A 57 4.525 7.322 -9.779 1.00 0.00 C ATOM 314 O SER A 57 3.753 7.195 -10.730 1.00 0.00 O ATOM 315 CB SER A 57 5.009 9.389 -8.456 1.00 0.00 C ATOM 316 OG SER A 57 4.586 10.385 -9.372 1.00 0.00 O ATOM 0 H SER A 57 4.690 7.827 -6.559 1.00 0.00 H new ATOM 0 HA SER A 57 3.088 8.446 -8.663 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.972 9.785 -7.441 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.047 9.123 -8.657 1.00 0.00 H new ATOM 0 HG SER A 57 5.163 11.173 -9.288 1.00 0.00 H new ATOM 322 N ASP A 58 5.732 6.768 -9.747 1.00 0.00 N ATOM 323 CA ASP A 58 6.231 5.959 -10.853 1.00 0.00 C ATOM 324 C ASP A 58 5.189 4.934 -11.290 1.00 0.00 C ATOM 325 O ASP A 58 4.973 4.724 -12.484 1.00 0.00 O ATOM 326 CB ASP A 58 7.525 5.250 -10.451 1.00 0.00 C ATOM 327 CG ASP A 58 8.346 4.819 -11.650 1.00 0.00 C ATOM 328 OD1 ASP A 58 8.215 5.454 -12.718 1.00 0.00 O ATOM 329 OD2 ASP A 58 9.120 3.848 -11.521 1.00 0.00 O ATOM 0 H ASP A 58 6.383 6.864 -8.968 1.00 0.00 H new ATOM 0 HA ASP A 58 6.436 6.623 -11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.121 5.915 -9.826 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.284 4.376 -9.846 1.00 0.00 H new ATOM 334 N PHE A 59 4.548 4.298 -10.316 1.00 0.00 N ATOM 335 CA PHE A 59 3.530 3.293 -10.600 1.00 0.00 C ATOM 336 C PHE A 59 2.326 3.920 -11.296 1.00 0.00 C ATOM 337 O PHE A 59 1.767 3.345 -12.231 1.00 0.00 O ATOM 338 CB PHE A 59 3.086 2.606 -9.307 1.00 0.00 C ATOM 339 CG PHE A 59 1.717 1.995 -9.392 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.583 2.786 -9.305 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.563 0.628 -9.561 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.679 2.227 -9.383 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.304 0.063 -9.641 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.818 0.863 -9.551 1.00 0.00 C ATOM 0 H PHE A 59 4.715 4.460 -9.323 1.00 0.00 H new ATOM 0 HA PHE A 59 3.966 2.549 -11.267 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.807 1.829 -9.052 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.101 3.333 -8.495 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.686 3.853 -9.175 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.437 -0.003 -9.631 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.554 2.856 -9.313 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.198 -1.004 -9.774 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.802 0.423 -9.612 1.00 0.00 H new ATOM 354 N ILE A 60 1.931 5.101 -10.833 1.00 0.00 N ATOM 355 CA ILE A 60 0.794 5.806 -11.411 1.00 0.00 C ATOM 356 C ILE A 60 0.961 5.979 -12.916 1.00 0.00 C ATOM 357 O ILE A 60 0.093 5.587 -13.696 1.00 0.00 O ATOM 358 CB ILE A 60 0.603 7.191 -10.765 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.279 7.044 -9.276 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.498 7.961 -11.478 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.272 8.357 -8.526 1.00 0.00 C ATOM 0 H ILE A 60 2.382 5.590 -10.059 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.088 5.197 -11.214 1.00 0.00 H new ATOM 0 HB ILE A 60 1.533 7.751 -10.862 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.696 6.569 -9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.009 6.377 -8.818 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.621 8.938 -11.010 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.230 8.092 -12.526 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.433 7.406 -11.410 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.035 8.176 -7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.254 8.824 -8.601 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.478 9.019 -8.958 1.00 0.00 H new ATOM 373 N GLN A 61 2.084 6.566 -13.318 1.00 0.00 N ATOM 374 CA GLN A 61 2.365 6.789 -14.731 1.00 0.00 C ATOM 375 C GLN A 61 2.393 5.470 -15.496 1.00 0.00 C ATOM 376 O GLN A 61 1.872 5.373 -16.607 1.00 0.00 O ATOM 377 CB GLN A 61 3.700 7.517 -14.898 1.00 0.00 C ATOM 378 CG GLN A 61 3.759 8.853 -14.174 1.00 0.00 C ATOM 379 CD GLN A 61 5.088 9.559 -14.359 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.042 8.983 -14.884 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.157 10.813 -13.928 1.00 0.00 N ATOM 0 H GLN A 61 2.813 6.895 -12.685 1.00 0.00 H new ATOM 0 HA GLN A 61 1.567 7.408 -15.141 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.502 6.877 -14.529 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.885 7.680 -15.960 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.957 9.495 -14.538 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.582 8.694 -13.110 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.341 11.250 -13.499 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.026 11.339 -14.026 1.00 0.00 H new ATOM 390 N ASP A 62 3.006 4.456 -14.894 1.00 0.00 N ATOM 391 CA ASP A 62 3.101 3.141 -15.518 1.00 0.00 C ATOM 392 C ASP A 62 1.721 2.625 -15.911 1.00 0.00 C ATOM 393 O ASP A 62 0.886 2.341 -15.053 1.00 0.00 O ATOM 394 CB ASP A 62 3.779 2.151 -14.569 1.00 0.00 C ATOM 395 CG ASP A 62 5.289 2.283 -14.576 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.784 3.424 -14.692 1.00 0.00 O ATOM 397 OD2 ASP A 62 5.976 1.246 -14.467 1.00 0.00 O ATOM 0 H ASP A 62 3.444 4.520 -13.975 1.00 0.00 H new ATOM 0 HA ASP A 62 3.703 3.237 -16.421 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.408 2.311 -13.557 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.505 1.135 -14.852 1.00 0.00 H new ATOM 402 N SER A 63 1.488 2.507 -17.214 1.00 0.00 N ATOM 403 CA SER A 63 0.207 2.029 -17.722 1.00 0.00 C ATOM 404 C SER A 63 0.054 0.530 -17.486 1.00 0.00 C ATOM 405 O SER A 63 -0.882 0.086 -16.823 1.00 0.00 O ATOM 406 CB SER A 63 0.079 2.338 -19.215 1.00 0.00 C ATOM 407 OG SER A 63 -1.001 1.625 -19.792 1.00 0.00 O ATOM 0 H SER A 63 2.170 2.736 -17.938 1.00 0.00 H new ATOM 0 HA SER A 63 -0.586 2.547 -17.182 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.071 3.408 -19.357 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.006 2.076 -19.725 1.00 0.00 H new ATOM 0 HG SER A 63 -1.063 1.841 -20.746 1.00 0.00 H new ATOM 413 N GLY A 64 0.983 -0.247 -18.036 1.00 0.00 N ATOM 414 CA GLY A 64 0.935 -1.689 -17.875 1.00 0.00 C ATOM 415 C GLY A 64 0.639 -2.103 -16.448 1.00 0.00 C ATOM 416 O GLY A 64 -0.067 -3.083 -16.214 1.00 0.00 O ATOM 0 H GLY A 64 1.768 0.096 -18.590 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.171 -2.100 -18.535 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.888 -2.118 -18.184 1.00 0.00 H new ATOM 420 N GLN A 65 1.182 -1.356 -15.492 1.00 0.00 N ATOM 421 CA GLN A 65 0.974 -1.654 -14.080 1.00 0.00 C ATOM 422 C GLN A 65 -0.429 -1.249 -13.639 1.00 0.00 C ATOM 423 O GLN A 65 -0.853 -0.112 -13.851 1.00 0.00 O ATOM 424 CB GLN A 65 2.018 -0.933 -13.225 1.00 0.00 C ATOM 425 CG GLN A 65 3.451 -1.281 -13.594 1.00 0.00 C ATOM 426 CD GLN A 65 3.982 -2.470 -12.818 1.00 0.00 C ATOM 427 OE1 GLN A 65 3.485 -3.588 -12.957 1.00 0.00 O ATOM 428 NE2 GLN A 65 4.996 -2.234 -11.995 1.00 0.00 N ATOM 0 H GLN A 65 1.769 -0.541 -15.669 1.00 0.00 H new ATOM 0 HA GLN A 65 1.082 -2.730 -13.942 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.877 0.143 -13.325 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.851 -1.181 -12.177 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.505 -1.495 -14.661 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.090 -0.417 -13.409 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.376 -1.291 -11.912 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.395 -2.995 -11.446 1.00 0.00 H new ATOM 437 N ILE A 66 -1.145 -2.185 -13.025 1.00 0.00 N ATOM 438 CA ILE A 66 -2.499 -1.924 -12.554 1.00 0.00 C ATOM 439 C ILE A 66 -2.568 -1.957 -11.031 1.00 0.00 C ATOM 440 O ILE A 66 -3.387 -1.271 -10.420 1.00 0.00 O ATOM 441 CB ILE A 66 -3.500 -2.947 -13.124 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.096 -4.367 -12.721 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.580 -2.823 -14.638 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.248 -5.348 -12.729 1.00 0.00 C ATOM 0 H ILE A 66 -0.810 -3.131 -12.842 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.769 -0.928 -12.906 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.486 -2.738 -12.709 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.322 -4.723 -13.401 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.657 -4.342 -11.723 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.291 -3.552 -15.026 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.909 -1.818 -14.904 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.597 -3.009 -15.071 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.889 -6.334 -12.433 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.014 -5.016 -12.028 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.673 -5.402 -13.731 1.00 0.00 H new ATOM 456 N LYS A 67 -1.699 -2.758 -10.422 1.00 0.00 N ATOM 457 CA LYS A 67 -1.657 -2.879 -8.970 1.00 0.00 C ATOM 458 C LYS A 67 -0.235 -3.146 -8.487 1.00 0.00 C ATOM 459 O LYS A 67 0.622 -3.581 -9.257 1.00 0.00 O ATOM 460 CB LYS A 67 -2.585 -4.003 -8.504 1.00 0.00 C ATOM 461 CG LYS A 67 -2.080 -5.392 -8.851 1.00 0.00 C ATOM 462 CD LYS A 67 -2.979 -6.473 -8.275 1.00 0.00 C ATOM 463 CE LYS A 67 -2.631 -7.844 -8.834 1.00 0.00 C ATOM 464 NZ LYS A 67 -3.045 -8.940 -7.914 1.00 0.00 N ATOM 0 H LYS A 67 -1.014 -3.333 -10.913 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.996 -1.936 -8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.714 -3.932 -7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.568 -3.860 -8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.027 -5.501 -9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.067 -5.518 -8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.883 -6.487 -7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.020 -6.240 -8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.119 -7.977 -9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.557 -7.903 -9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.790 -9.858 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.560 -8.828 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.074 -8.900 -7.767 1.00 0.00 H new ATOM 478 N LYS A 68 0.009 -2.886 -7.207 1.00 0.00 N ATOM 479 CA LYS A 68 1.326 -3.102 -6.620 1.00 0.00 C ATOM 480 C LYS A 68 1.207 -3.564 -5.171 1.00 0.00 C ATOM 481 O LYS A 68 0.510 -2.946 -4.366 1.00 0.00 O ATOM 482 CB LYS A 68 2.154 -1.817 -6.689 1.00 0.00 C ATOM 483 CG LYS A 68 3.568 -1.974 -6.156 1.00 0.00 C ATOM 484 CD LYS A 68 4.502 -0.924 -6.734 1.00 0.00 C ATOM 485 CE LYS A 68 5.960 -1.281 -6.489 1.00 0.00 C ATOM 486 NZ LYS A 68 6.387 -2.457 -7.296 1.00 0.00 N ATOM 0 H LYS A 68 -0.689 -2.525 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 68 1.828 -3.883 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.201 -1.480 -7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.646 -1.037 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.559 -1.895 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.941 -2.968 -6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.325 -0.828 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.283 0.045 -6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.589 -0.425 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.109 -1.494 -5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.425 -2.486 -7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.036 -3.329 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.998 -2.378 -8.257 1.00 0.00 H new ATOM 500 N LYS A 69 1.892 -4.655 -4.845 1.00 0.00 N ATOM 501 CA LYS A 69 1.866 -5.200 -3.493 1.00 0.00 C ATOM 502 C LYS A 69 3.174 -4.909 -2.764 1.00 0.00 C ATOM 503 O LYS A 69 4.247 -5.318 -3.206 1.00 0.00 O ATOM 504 CB LYS A 69 1.618 -6.709 -3.534 1.00 0.00 C ATOM 505 CG LYS A 69 1.567 -7.355 -2.160 1.00 0.00 C ATOM 506 CD LYS A 69 1.840 -8.848 -2.235 1.00 0.00 C ATOM 507 CE LYS A 69 2.453 -9.368 -0.944 1.00 0.00 C ATOM 508 NZ LYS A 69 3.248 -10.608 -1.168 1.00 0.00 N ATOM 0 H LYS A 69 2.472 -5.179 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 69 1.053 -4.719 -2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.678 -6.900 -4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.406 -7.182 -4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.301 -6.882 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.587 -7.185 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.910 -9.379 -2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.513 -9.055 -3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.093 -8.600 -0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.662 -9.569 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.649 -10.931 -0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.632 -11.350 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.018 -10.410 -1.838 1.00 0.00 H new ATOM 522 N PHE A 70 3.076 -4.201 -1.643 1.00 0.00 N ATOM 523 CA PHE A 70 4.252 -3.856 -0.853 1.00 0.00 C ATOM 524 C PHE A 70 4.475 -4.873 0.262 1.00 0.00 C ATOM 525 O PHE A 70 3.616 -5.712 0.531 1.00 0.00 O ATOM 526 CB PHE A 70 4.098 -2.455 -0.256 1.00 0.00 C ATOM 527 CG PHE A 70 4.294 -1.352 -1.257 1.00 0.00 C ATOM 528 CD1 PHE A 70 5.565 -0.892 -1.561 1.00 0.00 C ATOM 529 CD2 PHE A 70 3.207 -0.776 -1.895 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.749 0.122 -2.482 1.00 0.00 C ATOM 531 CE2 PHE A 70 3.385 0.238 -2.817 1.00 0.00 C ATOM 532 CZ PHE A 70 4.657 0.688 -3.110 1.00 0.00 C ATOM 0 H PHE A 70 2.195 -3.856 -1.262 1.00 0.00 H new ATOM 0 HA PHE A 70 5.119 -3.870 -1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.105 -2.363 0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.818 -2.332 0.553 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.422 -1.331 -1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.210 -1.123 -1.669 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.745 0.471 -2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.530 0.678 -3.308 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.798 1.481 -3.829 1.00 0.00 H new ATOM 542 N GLN A 71 5.636 -4.792 0.906 1.00 0.00 N ATOM 543 CA GLN A 71 5.973 -5.707 1.990 1.00 0.00 C ATOM 544 C GLN A 71 6.029 -4.971 3.325 1.00 0.00 C ATOM 545 O GLN A 71 6.543 -3.857 3.426 1.00 0.00 O ATOM 546 CB GLN A 71 7.314 -6.388 1.713 1.00 0.00 C ATOM 547 CG GLN A 71 7.325 -7.213 0.436 1.00 0.00 C ATOM 548 CD GLN A 71 6.587 -8.529 0.586 1.00 0.00 C ATOM 549 OE1 GLN A 71 5.413 -8.557 0.957 1.00 0.00 O ATOM 550 NE2 GLN A 71 7.273 -9.629 0.297 1.00 0.00 N ATOM 0 H GLN A 71 6.358 -4.103 0.696 1.00 0.00 H new ATOM 0 HA GLN A 71 5.193 -6.467 2.047 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.092 -5.627 1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.565 -7.033 2.555 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.871 -6.636 -0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.356 -7.410 0.144 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.244 -9.559 -0.007 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.829 -10.543 0.379 1.00 0.00 H new ATOM 559 N PRO A 72 5.487 -5.607 4.374 1.00 0.00 N ATOM 560 CA PRO A 72 5.463 -5.031 5.722 1.00 0.00 C ATOM 561 C PRO A 72 6.851 -4.970 6.351 1.00 0.00 C ATOM 562 O PRO A 72 7.236 -5.854 7.116 1.00 0.00 O ATOM 563 CB PRO A 72 4.565 -5.994 6.503 1.00 0.00 C ATOM 564 CG PRO A 72 4.676 -7.290 5.777 1.00 0.00 C ATOM 565 CD PRO A 72 4.857 -6.937 4.326 1.00 0.00 C ATOM 0 HA PRO A 72 5.106 -4.001 5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.894 -6.091 7.538 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.534 -5.641 6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.520 -7.873 6.145 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.782 -7.897 5.923 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.488 -7.662 3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.904 -6.911 3.797 1.00 0.00 H new ATOM 573 N MET A 73 7.598 -3.920 6.024 1.00 0.00 N ATOM 574 CA MET A 73 8.943 -3.744 6.559 1.00 0.00 C ATOM 575 C MET A 73 8.894 -3.245 8.000 1.00 0.00 C ATOM 576 O MET A 73 9.659 -3.698 8.850 1.00 0.00 O ATOM 577 CB MET A 73 9.734 -2.761 5.694 1.00 0.00 C ATOM 578 CG MET A 73 10.388 -3.407 4.483 1.00 0.00 C ATOM 579 SD MET A 73 9.290 -3.480 3.056 1.00 0.00 S ATOM 580 CE MET A 73 9.094 -1.738 2.690 1.00 0.00 C ATOM 0 H MET A 73 7.295 -3.179 5.392 1.00 0.00 H new ATOM 0 HA MET A 73 9.442 -4.713 6.545 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.066 -1.968 5.356 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.504 -2.291 6.305 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.285 -2.847 4.218 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.707 -4.416 4.743 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.875 -1.611 1.630 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.273 -1.332 3.281 1.00 0.00 H new ATOM 0 HE3 MET A 73 10.014 -1.209 2.936 1.00 0.00 H new ATOM 590 N ASN A 74 7.989 -2.309 8.267 1.00 0.00 N ATOM 591 CA ASN A 74 7.841 -1.748 9.605 1.00 0.00 C ATOM 592 C ASN A 74 6.391 -1.829 10.072 1.00 0.00 C ATOM 593 O ASN A 74 5.509 -2.252 9.324 1.00 0.00 O ATOM 594 CB ASN A 74 8.315 -0.294 9.626 1.00 0.00 C ATOM 595 CG ASN A 74 8.883 0.110 10.973 1.00 0.00 C ATOM 596 OD1 ASN A 74 8.592 -0.514 11.994 1.00 0.00 O ATOM 597 ND2 ASN A 74 9.697 1.159 10.981 1.00 0.00 N ATOM 0 H ASN A 74 7.347 -1.923 7.575 1.00 0.00 H new ATOM 0 HA ASN A 74 8.457 -2.334 10.288 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.074 -0.151 8.857 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.480 0.361 9.376 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.109 1.478 11.858 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.910 1.646 10.110 1.00 0.00 H new ATOM 604 N LYS A 75 6.151 -1.421 11.313 1.00 0.00 N ATOM 605 CA LYS A 75 4.808 -1.445 11.881 1.00 0.00 C ATOM 606 C LYS A 75 4.060 -0.155 11.562 1.00 0.00 C ATOM 607 O LYS A 75 2.844 -0.164 11.365 1.00 0.00 O ATOM 608 CB LYS A 75 4.877 -1.646 13.397 1.00 0.00 C ATOM 609 CG LYS A 75 5.505 -2.966 13.807 1.00 0.00 C ATOM 610 CD LYS A 75 5.266 -3.264 15.278 1.00 0.00 C ATOM 611 CE LYS A 75 3.944 -3.984 15.493 1.00 0.00 C ATOM 612 NZ LYS A 75 3.631 -4.149 16.940 1.00 0.00 N ATOM 0 H LYS A 75 6.870 -1.069 11.946 1.00 0.00 H new ATOM 0 HA LYS A 75 4.266 -2.279 11.434 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.448 -0.829 13.838 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.869 -1.589 13.809 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.091 -3.771 13.200 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.577 -2.937 13.610 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.082 -3.876 15.664 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.271 -2.333 15.844 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.143 -3.425 15.010 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.982 -4.963 15.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.722 -4.644 17.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.382 -4.704 17.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.569 -3.214 17.391 1.00 0.00 H new ATOM 626 N ILE A 76 4.793 0.952 11.512 1.00 0.00 N ATOM 627 CA ILE A 76 4.197 2.249 11.214 1.00 0.00 C ATOM 628 C ILE A 76 4.255 2.550 9.720 1.00 0.00 C ATOM 629 O ILE A 76 3.344 3.164 9.166 1.00 0.00 O ATOM 630 CB ILE A 76 4.903 3.382 11.982 1.00 0.00 C ATOM 631 CG1 ILE A 76 4.868 3.106 13.487 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.252 4.721 11.668 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.473 3.117 14.071 1.00 0.00 C ATOM 0 H ILE A 76 5.800 0.977 11.674 1.00 0.00 H new ATOM 0 HA ILE A 76 3.156 2.199 11.532 1.00 0.00 H new ATOM 0 HB ILE A 76 5.945 3.423 11.663 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.327 2.136 13.681 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.474 3.854 13.999 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.762 5.512 12.218 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.324 4.919 10.599 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.203 4.693 11.962 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.525 2.914 15.141 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.018 4.094 13.908 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.869 2.350 13.585 1.00 0.00 H new ATOM 645 N GLU A 77 5.331 2.112 9.075 1.00 0.00 N ATOM 646 CA GLU A 77 5.506 2.335 7.644 1.00 0.00 C ATOM 647 C GLU A 77 4.192 2.130 6.897 1.00 0.00 C ATOM 648 O GLU A 77 3.893 2.841 5.937 1.00 0.00 O ATOM 649 CB GLU A 77 6.575 1.392 7.086 1.00 0.00 C ATOM 650 CG GLU A 77 7.986 1.950 7.178 1.00 0.00 C ATOM 651 CD GLU A 77 8.167 2.886 8.356 1.00 0.00 C ATOM 652 OE1 GLU A 77 7.712 2.538 9.466 1.00 0.00 O ATOM 653 OE2 GLU A 77 8.763 3.967 8.170 1.00 0.00 O ATOM 0 H GLU A 77 6.094 1.601 9.519 1.00 0.00 H new ATOM 0 HA GLU A 77 5.829 3.366 7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.531 0.446 7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.347 1.174 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.694 1.125 7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.223 2.482 6.256 1.00 0.00 H new ATOM 660 N ARG A 78 3.410 1.152 7.343 1.00 0.00 N ATOM 661 CA ARG A 78 2.128 0.852 6.717 1.00 0.00 C ATOM 662 C ARG A 78 1.261 2.104 6.625 1.00 0.00 C ATOM 663 O ARG A 78 0.813 2.483 5.543 1.00 0.00 O ATOM 664 CB ARG A 78 1.393 -0.234 7.505 1.00 0.00 C ATOM 665 CG ARG A 78 0.312 -0.941 6.704 1.00 0.00 C ATOM 666 CD ARG A 78 -1.030 -0.238 6.839 1.00 0.00 C ATOM 667 NE ARG A 78 -1.617 -0.428 8.163 1.00 0.00 N ATOM 668 CZ ARG A 78 -2.864 -0.087 8.470 1.00 0.00 C ATOM 669 NH1 ARG A 78 -3.650 0.458 7.553 1.00 0.00 N ATOM 670 NH2 ARG A 78 -3.326 -0.292 9.697 1.00 0.00 N ATOM 0 H ARG A 78 3.642 0.554 8.136 1.00 0.00 H new ATOM 0 HA ARG A 78 2.321 0.490 5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.117 -0.971 7.853 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.943 0.214 8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.601 -0.978 5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.220 -1.972 7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.902 0.828 6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.715 -0.617 6.081 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.038 -0.845 8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.298 0.617 6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.607 0.719 7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.724 -0.712 10.405 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.283 -0.030 9.932 1.00 0.00 H new ATOM 684 N SER A 79 1.030 2.742 7.768 1.00 0.00 N ATOM 685 CA SER A 79 0.213 3.949 7.817 1.00 0.00 C ATOM 686 C SER A 79 0.826 5.056 6.965 1.00 0.00 C ATOM 687 O SER A 79 0.134 5.709 6.184 1.00 0.00 O ATOM 688 CB SER A 79 0.060 4.428 9.262 1.00 0.00 C ATOM 689 OG SER A 79 -0.673 5.639 9.323 1.00 0.00 O ATOM 0 H SER A 79 1.397 2.444 8.672 1.00 0.00 H new ATOM 0 HA SER A 79 -0.771 3.708 7.415 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.446 3.663 9.850 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.045 4.572 9.707 1.00 0.00 H new ATOM 0 HG SER A 79 -0.758 5.923 10.257 1.00 0.00 H new ATOM 695 N ILE A 80 2.130 5.260 7.121 1.00 0.00 N ATOM 696 CA ILE A 80 2.838 6.286 6.365 1.00 0.00 C ATOM 697 C ILE A 80 2.579 6.144 4.869 1.00 0.00 C ATOM 698 O ILE A 80 2.166 7.097 4.206 1.00 0.00 O ATOM 699 CB ILE A 80 4.355 6.226 6.620 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.649 6.354 8.116 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.067 7.321 5.839 1.00 0.00 C ATOM 702 CD1 ILE A 80 6.056 5.946 8.492 1.00 0.00 C ATOM 0 H ILE A 80 2.717 4.729 7.764 1.00 0.00 H new ATOM 0 HA ILE A 80 2.458 7.249 6.707 1.00 0.00 H new ATOM 0 HB ILE A 80 4.728 5.261 6.277 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.484 7.387 8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.940 5.739 8.671 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.139 7.266 6.030 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.881 7.188 4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.692 8.295 6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.194 6.062 9.567 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.219 4.904 8.216 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.771 6.577 7.964 1.00 0.00 H new ATOM 714 N LEU A 81 2.821 4.948 4.343 1.00 0.00 N ATOM 715 CA LEU A 81 2.612 4.680 2.925 1.00 0.00 C ATOM 716 C LEU A 81 1.176 4.994 2.517 1.00 0.00 C ATOM 717 O LEU A 81 0.937 5.666 1.513 1.00 0.00 O ATOM 718 CB LEU A 81 2.936 3.219 2.609 1.00 0.00 C ATOM 719 CG LEU A 81 2.718 2.781 1.160 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.493 3.678 0.208 1.00 0.00 C ATOM 721 CD2 LEU A 81 3.125 1.326 0.975 1.00 0.00 C ATOM 0 H LEU A 81 3.162 4.149 4.877 1.00 0.00 H new ATOM 0 HA LEU A 81 3.281 5.326 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.978 3.034 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.328 2.585 3.254 1.00 0.00 H new ATOM 0 HG LEU A 81 1.657 2.873 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.325 3.351 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.153 4.708 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.557 3.620 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.963 1.032 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.179 1.209 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.524 0.694 1.629 1.00 0.00 H new ATOM 733 N HIS A 82 0.222 4.504 3.303 1.00 0.00 N ATOM 734 CA HIS A 82 -1.191 4.735 3.025 1.00 0.00 C ATOM 735 C HIS A 82 -1.462 6.217 2.782 1.00 0.00 C ATOM 736 O HIS A 82 -2.190 6.581 1.859 1.00 0.00 O ATOM 737 CB HIS A 82 -2.049 4.232 4.186 1.00 0.00 C ATOM 738 CG HIS A 82 -2.487 2.808 4.034 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.794 2.444 3.788 1.00 0.00 N ATOM 740 CD2 HIS A 82 -1.782 1.654 4.092 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.875 1.128 3.703 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.667 0.625 3.883 1.00 0.00 N ATOM 0 H HIS A 82 0.402 3.945 4.137 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.453 4.183 2.123 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.486 4.333 5.114 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.930 4.867 4.277 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.721 1.560 4.270 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.775 0.561 3.518 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.430 -0.367 3.869 1.00 0.00 H new ATOM 750 N ASP A 83 -0.872 7.066 3.616 1.00 0.00 N ATOM 751 CA ASP A 83 -1.050 8.508 3.492 1.00 0.00 C ATOM 752 C ASP A 83 -0.520 9.007 2.151 1.00 0.00 C ATOM 753 O ASP A 83 -1.223 9.695 1.411 1.00 0.00 O ATOM 754 CB ASP A 83 -0.339 9.232 4.636 1.00 0.00 C ATOM 755 CG ASP A 83 -0.594 10.726 4.623 1.00 0.00 C ATOM 756 OD1 ASP A 83 -1.604 11.161 5.216 1.00 0.00 O ATOM 757 OD2 ASP A 83 0.217 11.461 4.021 1.00 0.00 O ATOM 0 H ASP A 83 -0.266 6.781 4.385 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.117 8.723 3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.673 8.818 5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.733 9.049 4.567 1.00 0.00 H new ATOM 762 N VAL A 84 0.725 8.656 1.844 1.00 0.00 N ATOM 763 CA VAL A 84 1.349 9.068 0.593 1.00 0.00 C ATOM 764 C VAL A 84 0.497 8.664 -0.605 1.00 0.00 C ATOM 765 O VAL A 84 0.406 9.396 -1.591 1.00 0.00 O ATOM 766 CB VAL A 84 2.754 8.456 0.439 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.337 8.793 -0.925 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.670 8.940 1.553 1.00 0.00 C ATOM 0 H VAL A 84 1.321 8.087 2.445 1.00 0.00 H new ATOM 0 HA VAL A 84 1.435 10.154 0.625 1.00 0.00 H new ATOM 0 HB VAL A 84 2.669 7.372 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.330 8.352 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.690 8.393 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.409 9.875 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.659 8.498 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.750 10.026 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.258 8.643 2.518 1.00 0.00 H new ATOM 778 N VAL A 85 -0.126 7.494 -0.514 1.00 0.00 N ATOM 779 CA VAL A 85 -0.973 6.992 -1.590 1.00 0.00 C ATOM 780 C VAL A 85 -2.214 7.861 -1.763 1.00 0.00 C ATOM 781 O VAL A 85 -2.411 8.476 -2.810 1.00 0.00 O ATOM 782 CB VAL A 85 -1.410 5.539 -1.329 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.410 5.084 -2.382 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.201 4.617 -1.296 1.00 0.00 C ATOM 0 H VAL A 85 -0.060 6.875 0.294 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.378 7.026 -2.503 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.899 5.494 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.707 4.055 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.289 5.728 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.951 5.143 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.528 3.594 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.318 4.664 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.475 4.931 -0.501 1.00 0.00 H new ATOM 794 N GLU A 86 -3.046 7.908 -0.728 1.00 0.00 N ATOM 795 CA GLU A 86 -4.269 8.702 -0.766 1.00 0.00 C ATOM 796 C GLU A 86 -4.003 10.080 -1.366 1.00 0.00 C ATOM 797 O GLU A 86 -4.847 10.636 -2.068 1.00 0.00 O ATOM 798 CB GLU A 86 -4.852 8.850 0.640 1.00 0.00 C ATOM 799 CG GLU A 86 -4.339 10.070 1.387 1.00 0.00 C ATOM 800 CD GLU A 86 -5.170 11.310 1.118 1.00 0.00 C ATOM 801 OE1 GLU A 86 -6.282 11.412 1.677 1.00 0.00 O ATOM 802 OE2 GLU A 86 -4.707 12.178 0.349 1.00 0.00 O ATOM 0 H GLU A 86 -2.896 7.406 0.147 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.990 8.182 -1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.938 8.908 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.617 7.956 1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.338 9.863 2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.305 10.260 1.098 1.00 0.00 H new ATOM 809 N VAL A 87 -2.824 10.625 -1.083 1.00 0.00 N ATOM 810 CA VAL A 87 -2.446 11.937 -1.594 1.00 0.00 C ATOM 811 C VAL A 87 -2.157 11.882 -3.090 1.00 0.00 C ATOM 812 O VAL A 87 -2.527 12.786 -3.838 1.00 0.00 O ATOM 813 CB VAL A 87 -1.208 12.488 -0.863 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.715 13.761 -1.534 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.523 12.737 0.604 1.00 0.00 C ATOM 0 H VAL A 87 -2.114 10.178 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.291 12.602 -1.415 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.413 11.744 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.160 14.136 -1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.448 13.547 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.503 14.513 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.637 13.126 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.333 13.462 0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.825 11.802 1.075 1.00 0.00 H new ATOM 825 N ALA A 88 -1.494 10.813 -3.520 1.00 0.00 N ATOM 826 CA ALA A 88 -1.158 10.638 -4.928 1.00 0.00 C ATOM 827 C ALA A 88 -2.414 10.483 -5.777 1.00 0.00 C ATOM 828 O ALA A 88 -2.459 10.928 -6.923 1.00 0.00 O ATOM 829 CB ALA A 88 -0.246 9.433 -5.106 1.00 0.00 C ATOM 0 H ALA A 88 -1.179 10.056 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.632 11.531 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.003 9.314 -6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.671 9.584 -4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.752 8.537 -4.747 1.00 0.00 H new ATOM 835 N GLY A 89 -3.434 9.848 -5.208 1.00 0.00 N ATOM 836 CA GLY A 89 -4.678 9.645 -5.928 1.00 0.00 C ATOM 837 C GLY A 89 -4.893 8.195 -6.316 1.00 0.00 C ATOM 838 O GLY A 89 -5.447 7.904 -7.376 1.00 0.00 O ATOM 0 H GLY A 89 -3.421 9.470 -4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.511 9.980 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.679 10.262 -6.826 1.00 0.00 H new ATOM 842 N LEU A 90 -4.453 7.283 -5.456 1.00 0.00 N ATOM 843 CA LEU A 90 -4.599 5.855 -5.714 1.00 0.00 C ATOM 844 C LEU A 90 -5.298 5.159 -4.550 1.00 0.00 C ATOM 845 O LEU A 90 -5.428 5.723 -3.463 1.00 0.00 O ATOM 846 CB LEU A 90 -3.230 5.217 -5.956 1.00 0.00 C ATOM 847 CG LEU A 90 -2.503 5.651 -7.229 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.058 5.178 -7.206 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.221 5.120 -8.461 1.00 0.00 C ATOM 0 H LEU A 90 -3.992 7.507 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.212 5.734 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.591 5.441 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.356 4.135 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.506 6.740 -7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.556 5.496 -8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.548 5.608 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.032 4.090 -7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.689 5.439 -9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.250 4.031 -8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.239 5.509 -8.485 1.00 0.00 H new ATOM 861 N THR A 91 -5.745 3.930 -4.785 1.00 0.00 N ATOM 862 CA THR A 91 -6.430 3.156 -3.756 1.00 0.00 C ATOM 863 C THR A 91 -5.435 2.396 -2.887 1.00 0.00 C ATOM 864 O THR A 91 -4.455 1.843 -3.386 1.00 0.00 O ATOM 865 CB THR A 91 -7.424 2.155 -4.374 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.335 2.841 -5.241 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.201 1.425 -3.290 1.00 0.00 C ATOM 0 H THR A 91 -5.645 3.449 -5.679 1.00 0.00 H new ATOM 0 HA THR A 91 -6.979 3.867 -3.139 1.00 0.00 H new ATOM 0 HB THR A 91 -6.858 1.422 -4.949 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.973 2.200 -5.619 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.897 0.724 -3.751 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.507 0.880 -2.649 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.757 2.147 -2.692 1.00 0.00 H new ATOM 875 N SER A 92 -5.694 2.371 -1.583 1.00 0.00 N ATOM 876 CA SER A 92 -4.819 1.680 -0.643 1.00 0.00 C ATOM 877 C SER A 92 -5.628 0.811 0.314 1.00 0.00 C ATOM 878 O SER A 92 -6.693 1.211 0.786 1.00 0.00 O ATOM 879 CB SER A 92 -3.985 2.690 0.147 1.00 0.00 C ATOM 880 OG SER A 92 -4.780 3.368 1.105 1.00 0.00 O ATOM 0 H SER A 92 -6.502 2.821 -1.154 1.00 0.00 H new ATOM 0 HA SER A 92 -4.150 1.035 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.165 2.176 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.539 3.412 -0.537 1.00 0.00 H new ATOM 0 HG SER A 92 -4.503 3.103 2.007 1.00 0.00 H new ATOM 886 N PHE A 93 -5.115 -0.382 0.598 1.00 0.00 N ATOM 887 CA PHE A 93 -5.790 -1.310 1.498 1.00 0.00 C ATOM 888 C PHE A 93 -4.796 -2.293 2.110 1.00 0.00 C ATOM 889 O PHE A 93 -4.034 -2.946 1.398 1.00 0.00 O ATOM 890 CB PHE A 93 -6.886 -2.073 0.752 1.00 0.00 C ATOM 891 CG PHE A 93 -8.140 -1.273 0.546 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.928 -0.906 1.626 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.531 -0.887 -0.726 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.083 -0.170 1.439 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.685 -0.151 -0.918 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.461 0.209 0.166 1.00 0.00 C ATOM 0 H PHE A 93 -4.234 -0.729 0.218 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.244 -0.731 2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.502 -2.388 -0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -7.130 -2.979 1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.636 -1.198 2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.927 -1.164 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.690 0.109 2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -9.980 0.142 -1.915 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.362 0.786 0.018 1.00 0.00 H new ATOM 906 N SER A 94 -4.811 -2.392 3.436 1.00 0.00 N ATOM 907 CA SER A 94 -3.908 -3.291 4.145 1.00 0.00 C ATOM 908 C SER A 94 -4.497 -4.697 4.227 1.00 0.00 C ATOM 909 O SER A 94 -5.464 -4.936 4.949 1.00 0.00 O ATOM 910 CB SER A 94 -3.627 -2.761 5.552 1.00 0.00 C ATOM 911 OG SER A 94 -4.783 -2.842 6.368 1.00 0.00 O ATOM 0 H SER A 94 -5.438 -1.861 4.040 1.00 0.00 H new ATOM 0 HA SER A 94 -2.972 -3.339 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.818 -3.334 6.005 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.291 -1.726 5.494 1.00 0.00 H new ATOM 0 HG SER A 94 -5.427 -3.460 5.963 1.00 0.00 H new ATOM 917 N PHE A 95 -3.904 -5.624 3.481 1.00 0.00 N ATOM 918 CA PHE A 95 -4.369 -7.006 3.468 1.00 0.00 C ATOM 919 C PHE A 95 -3.301 -7.944 4.023 1.00 0.00 C ATOM 920 O PHE A 95 -2.165 -7.958 3.552 1.00 0.00 O ATOM 921 CB PHE A 95 -4.744 -7.427 2.045 1.00 0.00 C ATOM 922 CG PHE A 95 -5.806 -6.565 1.425 1.00 0.00 C ATOM 923 CD1 PHE A 95 -7.095 -6.559 1.933 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.515 -5.759 0.336 1.00 0.00 C ATOM 925 CE1 PHE A 95 -8.075 -5.768 1.363 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.491 -4.965 -0.237 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.772 -4.969 0.278 1.00 0.00 C ATOM 0 H PHE A 95 -3.101 -5.443 2.878 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.252 -7.072 4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.852 -7.397 1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.089 -8.461 2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.337 -7.179 2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.514 -5.751 -0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.077 -5.775 1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.252 -4.342 -1.086 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.536 -4.348 -0.167 1.00 0.00 H new ATOM 937 N GLY A 96 -3.676 -8.727 5.031 1.00 0.00 N ATOM 938 CA GLY A 96 -2.740 -9.657 5.635 1.00 0.00 C ATOM 939 C GLY A 96 -3.368 -11.006 5.924 1.00 0.00 C ATOM 940 O GLY A 96 -4.541 -11.086 6.285 1.00 0.00 O ATOM 0 H GLY A 96 -4.611 -8.733 5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.887 -9.792 4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.357 -9.232 6.563 1.00 0.00 H new ATOM 944 N GLU A 97 -2.585 -12.068 5.764 1.00 0.00 N ATOM 945 CA GLU A 97 -3.074 -13.420 6.008 1.00 0.00 C ATOM 946 C GLU A 97 -3.301 -13.656 7.498 1.00 0.00 C ATOM 947 O GLU A 97 -4.311 -14.235 7.899 1.00 0.00 O ATOM 948 CB GLU A 97 -2.082 -14.451 5.463 1.00 0.00 C ATOM 949 CG GLU A 97 -2.011 -14.484 3.946 1.00 0.00 C ATOM 950 CD GLU A 97 -3.381 -14.531 3.298 1.00 0.00 C ATOM 951 OE1 GLU A 97 -4.014 -13.463 3.169 1.00 0.00 O ATOM 952 OE2 GLU A 97 -3.819 -15.638 2.920 1.00 0.00 O ATOM 0 H GLU A 97 -1.610 -12.019 5.467 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.027 -13.533 5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.090 -14.234 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.362 -15.440 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.476 -13.603 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.435 -15.354 3.632 1.00 0.00 H new ATOM 959 N ASP A 98 -2.355 -13.203 8.314 1.00 0.00 N ATOM 960 CA ASP A 98 -2.451 -13.363 9.760 1.00 0.00 C ATOM 961 C ASP A 98 -2.516 -12.006 10.454 1.00 0.00 C ATOM 962 O ASP A 98 -2.244 -10.972 9.843 1.00 0.00 O ATOM 963 CB ASP A 98 -1.259 -14.163 10.286 1.00 0.00 C ATOM 964 CG ASP A 98 -1.442 -15.658 10.110 1.00 0.00 C ATOM 965 OD1 ASP A 98 -1.707 -16.093 8.971 1.00 0.00 O ATOM 966 OD2 ASP A 98 -1.320 -16.393 11.113 1.00 0.00 O ATOM 0 H ASP A 98 -1.513 -12.722 7.998 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.369 -13.907 9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.355 -13.847 9.766 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.113 -13.940 11.343 1.00 0.00 H new ATOM 971 N ASP A 99 -2.878 -12.018 11.732 1.00 0.00 N ATOM 972 CA ASP A 99 -2.978 -10.788 12.509 1.00 0.00 C ATOM 973 C ASP A 99 -1.617 -10.111 12.633 1.00 0.00 C ATOM 974 O ASP A 99 -1.506 -8.891 12.512 1.00 0.00 O ATOM 975 CB ASP A 99 -3.543 -11.083 13.900 1.00 0.00 C ATOM 976 CG ASP A 99 -3.314 -9.942 14.872 1.00 0.00 C ATOM 977 OD1 ASP A 99 -3.856 -8.843 14.633 1.00 0.00 O ATOM 978 OD2 ASP A 99 -2.593 -10.148 15.870 1.00 0.00 O ATOM 0 H ASP A 99 -3.107 -12.865 12.252 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.654 -10.111 11.986 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.612 -11.280 13.820 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.081 -11.989 14.292 1.00 0.00 H new ATOM 983 N ASP A 100 -0.584 -10.910 12.876 1.00 0.00 N ATOM 984 CA ASP A 100 0.770 -10.388 13.016 1.00 0.00 C ATOM 985 C ASP A 100 1.301 -9.886 11.677 1.00 0.00 C ATOM 986 O ASP A 100 1.933 -8.832 11.604 1.00 0.00 O ATOM 987 CB ASP A 100 1.700 -11.466 13.575 1.00 0.00 C ATOM 988 CG ASP A 100 1.553 -12.790 12.851 1.00 0.00 C ATOM 989 OD1 ASP A 100 0.709 -13.608 13.274 1.00 0.00 O ATOM 990 OD2 ASP A 100 2.280 -13.008 11.860 1.00 0.00 O ATOM 0 H ASP A 100 -0.659 -11.922 12.980 1.00 0.00 H new ATOM 0 HA ASP A 100 0.739 -9.549 13.711 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.733 -11.126 13.498 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.489 -11.609 14.635 1.00 0.00 H new ATOM 995 N CYS A 101 1.041 -10.648 10.620 1.00 0.00 N ATOM 996 CA CYS A 101 1.493 -10.282 9.283 1.00 0.00 C ATOM 997 C CYS A 101 0.457 -9.414 8.576 1.00 0.00 C ATOM 998 O CYS A 101 -0.646 -9.870 8.273 1.00 0.00 O ATOM 999 CB CYS A 101 1.775 -11.537 8.456 1.00 0.00 C ATOM 1000 SG CYS A 101 3.374 -12.307 8.803 1.00 0.00 S ATOM 0 H CYS A 101 0.519 -11.523 10.664 1.00 0.00 H new ATOM 0 HA CYS A 101 2.414 -9.707 9.383 1.00 0.00 H new ATOM 0 HB2 CYS A 101 0.985 -12.266 8.641 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.730 -11.279 7.398 1.00 0.00 H new ATOM 0 HG CYS A 101 3.389 -12.743 10.028 1.00 0.00 H new ATOM 1006 N ARG A 102 0.818 -8.161 8.319 1.00 0.00 N ATOM 1007 CA ARG A 102 -0.082 -7.229 7.652 1.00 0.00 C ATOM 1008 C ARG A 102 0.668 -6.395 6.617 1.00 0.00 C ATOM 1009 O ARG A 102 1.408 -5.475 6.966 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.751 -6.310 8.676 1.00 0.00 C ATOM 1011 CG ARG A 102 -2.125 -5.821 8.249 1.00 0.00 C ATOM 1012 CD ARG A 102 -3.165 -6.926 8.349 1.00 0.00 C ATOM 1013 NE ARG A 102 -4.527 -6.401 8.310 1.00 0.00 N ATOM 1014 CZ ARG A 102 -5.167 -5.936 9.378 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -4.570 -5.931 10.562 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -6.405 -5.474 9.262 1.00 0.00 N ATOM 0 H ARG A 102 1.727 -7.768 8.563 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.849 -7.809 7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.842 -6.841 9.624 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.107 -5.449 8.854 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.424 -4.980 8.875 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.080 -5.454 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.025 -7.631 7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.017 -7.481 9.276 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.014 -6.391 7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.618 -6.284 10.654 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.063 -5.574 11.380 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.867 -5.475 8.352 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.895 -5.117 10.082 1.00 0.00 H new ATOM 1030 N TYR A 103 0.473 -6.724 5.345 1.00 0.00 N ATOM 1031 CA TYR A 103 1.134 -6.007 4.261 1.00 0.00 C ATOM 1032 C TYR A 103 0.225 -4.922 3.692 1.00 0.00 C ATOM 1033 O TYR A 103 -0.978 -4.904 3.951 1.00 0.00 O ATOM 1034 CB TYR A 103 1.541 -6.980 3.153 1.00 0.00 C ATOM 1035 CG TYR A 103 0.367 -7.601 2.430 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.481 -6.827 1.648 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.106 -8.962 2.530 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.555 -7.390 0.987 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.965 -9.534 1.871 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.793 -8.744 1.101 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.862 -9.309 0.443 1.00 0.00 O ATOM 0 H TYR A 103 -0.137 -7.482 5.039 1.00 0.00 H new ATOM 0 HA TYR A 103 2.028 -5.532 4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.165 -6.454 2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.152 -7.773 3.584 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.297 -5.767 1.555 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.751 -9.583 3.133 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.205 -6.773 0.384 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.153 -10.594 1.958 1.00 0.00 H new ATOM 0 HH TYR A 103 -3.026 -8.823 -0.392 1.00 0.00 H new ATOM 1051 N VAL A 104 0.810 -4.018 2.913 1.00 0.00 N ATOM 1052 CA VAL A 104 0.054 -2.929 2.304 1.00 0.00 C ATOM 1053 C VAL A 104 0.001 -3.078 0.788 1.00 0.00 C ATOM 1054 O VAL A 104 1.024 -3.300 0.140 1.00 0.00 O ATOM 1055 CB VAL A 104 0.664 -1.559 2.654 1.00 0.00 C ATOM 1056 CG1 VAL A 104 2.105 -1.477 2.173 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.171 -0.437 2.056 1.00 0.00 C ATOM 0 H VAL A 104 1.805 -4.018 2.688 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.958 -2.981 2.706 1.00 0.00 H new ATOM 0 HB VAL A 104 0.662 -1.445 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.519 -0.502 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.694 -2.259 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.136 -1.612 1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.274 0.524 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.202 -0.545 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.184 -0.486 2.454 1.00 0.00 H new ATOM 1067 N MET A 105 -1.197 -2.953 0.228 1.00 0.00 N ATOM 1068 CA MET A 105 -1.383 -3.071 -1.214 1.00 0.00 C ATOM 1069 C MET A 105 -2.003 -1.801 -1.788 1.00 0.00 C ATOM 1070 O MET A 105 -2.552 -0.980 -1.053 1.00 0.00 O ATOM 1071 CB MET A 105 -2.269 -4.276 -1.538 1.00 0.00 C ATOM 1072 CG MET A 105 -1.489 -5.563 -1.753 1.00 0.00 C ATOM 1073 SD MET A 105 -2.551 -6.954 -2.187 1.00 0.00 S ATOM 1074 CE MET A 105 -2.768 -6.681 -3.943 1.00 0.00 C ATOM 0 H MET A 105 -2.054 -2.770 0.750 1.00 0.00 H new ATOM 0 HA MET A 105 -0.404 -3.215 -1.671 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.980 -4.423 -0.725 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.850 -4.059 -2.434 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.755 -5.411 -2.544 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.935 -5.803 -0.846 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.740 -7.064 -4.253 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.714 -5.613 -4.155 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.982 -7.200 -4.492 1.00 0.00 H new ATOM 1084 N ILE A 106 -1.910 -1.646 -3.105 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.462 -0.477 -3.776 1.00 0.00 C ATOM 1086 C ILE A 106 -3.041 -0.846 -5.138 1.00 0.00 C ATOM 1087 O ILE A 106 -2.513 -1.714 -5.834 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.396 0.619 -3.965 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.223 0.084 -4.789 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -0.914 1.127 -2.615 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.590 1.169 -5.459 1.00 0.00 C ATOM 0 H ILE A 106 -1.458 -2.316 -3.727 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.258 -0.094 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.845 1.452 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.430 -0.500 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.605 -0.595 -5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.161 1.901 -2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.756 1.542 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.479 0.302 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.404 0.716 -6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.049 1.738 -6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.002 1.835 -4.701 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.129 -0.181 -5.512 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.780 -0.439 -6.791 1.00 0.00 C ATOM 1105 C PHE A 107 -4.970 0.856 -7.576 1.00 0.00 C ATOM 1106 O PHE A 107 -4.772 1.950 -7.048 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.133 -1.119 -6.571 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.021 -2.518 -6.036 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.469 -2.755 -4.788 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.470 -3.596 -6.782 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.364 -4.041 -4.294 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.368 -4.885 -6.293 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.816 -5.108 -5.047 1.00 0.00 C ATOM 0 H PHE A 107 -4.578 0.540 -4.948 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.138 -1.103 -7.370 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.723 -0.520 -5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.677 -1.142 -7.515 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.116 -1.925 -4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.904 -3.427 -7.756 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.929 -4.212 -3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.720 -5.717 -6.885 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.738 -6.114 -4.662 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.354 0.723 -8.841 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.573 1.881 -9.700 1.00 0.00 C ATOM 1125 C LYS A 108 -7.037 2.307 -9.677 1.00 0.00 C ATOM 1126 O LYS A 108 -7.883 1.629 -9.094 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.145 1.564 -11.135 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.693 1.900 -11.425 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.424 1.971 -12.919 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.257 2.895 -13.233 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.121 3.139 -14.695 1.00 0.00 N ATOM 0 H LYS A 108 -5.520 -0.175 -9.294 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.968 2.704 -9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.309 0.504 -11.328 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.782 2.117 -11.826 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.440 2.855 -10.963 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.047 1.147 -10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.211 0.972 -13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.317 2.324 -13.434 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.397 3.845 -12.718 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.335 2.458 -12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.144 2.940 -14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.774 2.517 -15.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.350 4.132 -14.904 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.330 3.434 -10.316 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.693 3.951 -10.372 1.00 0.00 C ATOM 1147 C LYS A 109 -9.603 3.002 -11.146 1.00 0.00 C ATOM 1148 O LYS A 109 -10.694 2.665 -10.688 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.709 5.335 -11.024 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.100 5.930 -11.154 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.563 6.556 -9.849 1.00 0.00 C ATOM 1152 CE LYS A 109 -11.975 7.109 -9.966 1.00 0.00 C ATOM 1153 NZ LYS A 109 -12.028 8.315 -10.839 1.00 0.00 N ATOM 0 H LYS A 109 -6.642 4.008 -10.803 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.066 4.033 -9.351 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.087 6.011 -10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.258 5.266 -12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.102 6.684 -11.941 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.802 5.153 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.528 5.811 -9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.880 7.357 -9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.634 6.340 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.349 7.362 -8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.985 8.721 -10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.343 9.020 -10.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.793 8.047 -11.816 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.145 2.575 -12.318 1.00 0.00 N ATOM 1168 CA GLU A 110 -9.919 1.664 -13.154 1.00 0.00 C ATOM 1169 C GLU A 110 -9.793 0.228 -12.655 1.00 0.00 C ATOM 1170 O GLU A 110 -10.746 -0.550 -12.720 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.455 1.753 -14.609 1.00 0.00 C ATOM 1172 CG GLU A 110 -9.597 3.141 -15.210 1.00 0.00 C ATOM 1173 CD GLU A 110 -9.825 3.107 -16.709 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -9.116 2.347 -17.401 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -10.713 3.842 -17.190 1.00 0.00 O ATOM 0 H GLU A 110 -8.243 2.845 -12.710 1.00 0.00 H new ATOM 0 HA GLU A 110 -10.967 1.960 -13.096 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.411 1.446 -14.668 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.029 1.046 -15.208 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.429 3.657 -14.731 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -8.698 3.719 -14.996 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.611 -0.118 -12.157 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.358 -1.461 -11.647 1.00 0.00 C ATOM 1184 C PHE A 111 -8.584 -1.522 -10.140 1.00 0.00 C ATOM 1185 O PHE A 111 -8.122 -2.444 -9.469 1.00 0.00 O ATOM 1186 CB PHE A 111 -6.929 -1.894 -11.978 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.584 -1.764 -13.434 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -6.863 -2.793 -14.320 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.983 -0.613 -13.918 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -6.546 -2.676 -15.660 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.665 -0.491 -15.258 1.00 0.00 C ATOM 1192 CZ PHE A 111 -5.948 -1.523 -16.130 1.00 0.00 C ATOM 0 H PHE A 111 -7.812 0.513 -12.096 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.058 -2.144 -12.129 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.232 -1.294 -11.393 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.792 -2.931 -11.672 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.333 -3.696 -13.959 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.760 0.198 -13.241 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.766 -3.486 -16.340 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.196 0.411 -15.622 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.702 -1.429 -17.177 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.299 -0.533 -9.614 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.588 -0.474 -8.186 1.00 0.00 C ATOM 1204 C ALA A 112 -10.585 -1.556 -7.784 1.00 0.00 C ATOM 1205 O ALA A 112 -11.499 -1.902 -8.533 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.119 0.902 -7.811 1.00 0.00 C ATOM 0 H ALA A 112 -9.689 0.239 -10.155 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.659 -0.652 -7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.330 0.932 -6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.373 1.659 -8.054 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.034 1.103 -8.368 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.407 -2.104 -6.572 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.282 -3.154 -6.043 1.00 0.00 C ATOM 1214 C PRO A 113 -12.677 -2.635 -5.711 1.00 0.00 C ATOM 1215 O PRO A 113 -12.866 -1.441 -5.482 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.562 -3.606 -4.769 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.751 -2.427 -4.354 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.339 -1.740 -5.626 1.00 0.00 C ATOM 0 HA PRO A 113 -11.442 -3.954 -6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.272 -3.891 -3.993 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.931 -4.474 -4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.332 -1.758 -3.719 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.879 -2.736 -3.777 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.269 -0.660 -5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.363 -2.083 -5.970 1.00 0.00 H new ATOM 1226 N SER A 114 -13.650 -3.540 -5.687 1.00 0.00 N ATOM 1227 CA SER A 114 -15.028 -3.173 -5.387 1.00 0.00 C ATOM 1228 C SER A 114 -15.341 -3.397 -3.910 1.00 0.00 C ATOM 1229 O SER A 114 -14.616 -4.105 -3.211 1.00 0.00 O ATOM 1230 CB SER A 114 -15.995 -3.983 -6.253 1.00 0.00 C ATOM 1231 OG SER A 114 -16.145 -3.396 -7.534 1.00 0.00 O ATOM 0 H SER A 114 -13.509 -4.533 -5.872 1.00 0.00 H new ATOM 0 HA SER A 114 -15.152 -2.113 -5.611 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.627 -5.004 -6.358 1.00 0.00 H new ATOM 0 HB3 SER A 114 -16.966 -4.043 -5.761 1.00 0.00 H new ATOM 0 HG SER A 114 -16.766 -3.933 -8.069 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.425 -2.787 -3.442 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.836 -2.920 -2.050 1.00 0.00 C ATOM 1239 C ASP A 115 -16.981 -4.389 -1.663 1.00 0.00 C ATOM 1240 O ASP A 115 -16.214 -4.905 -0.851 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.155 -2.185 -1.812 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.288 -1.678 -0.390 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -17.462 -0.837 0.020 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -19.219 -2.124 0.315 1.00 0.00 O ATOM 0 H ASP A 115 -17.035 -2.196 -4.007 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.063 -2.473 -1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -18.229 -1.345 -2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.986 -2.855 -2.035 1.00 0.00 H new ATOM 1249 N GLU A 116 -17.970 -5.055 -2.250 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.217 -6.463 -1.966 1.00 0.00 C ATOM 1251 C GLU A 116 -16.936 -7.280 -2.111 1.00 0.00 C ATOM 1252 O GLU A 116 -16.611 -8.101 -1.254 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.295 -7.015 -2.900 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.591 -6.222 -2.869 1.00 0.00 C ATOM 1255 CD GLU A 116 -21.529 -6.592 -4.002 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -22.311 -7.552 -3.836 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -21.480 -5.921 -5.054 1.00 0.00 O ATOM 0 H GLU A 116 -18.613 -4.642 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.565 -6.543 -0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -18.910 -7.026 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.505 -8.049 -2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.093 -6.391 -1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -20.363 -5.158 -2.924 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.214 -7.048 -3.203 1.00 0.00 N ATOM 1265 CA GLU A 117 -14.970 -7.763 -3.462 1.00 0.00 C ATOM 1266 C GLU A 117 -13.975 -7.554 -2.323 1.00 0.00 C ATOM 1267 O GLU A 117 -13.312 -8.494 -1.883 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.353 -7.298 -4.783 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.286 -7.443 -5.974 1.00 0.00 C ATOM 1270 CD GLU A 117 -14.649 -6.989 -7.273 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -13.407 -7.062 -7.382 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -15.393 -6.561 -8.180 1.00 0.00 O ATOM 0 H GLU A 117 -16.469 -6.371 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.200 -8.826 -3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.057 -6.253 -4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.445 -7.870 -4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -15.590 -8.486 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.191 -6.862 -5.795 1.00 0.00 H new ATOM 1279 N LEU A 118 -13.877 -6.316 -1.851 1.00 0.00 N ATOM 1280 CA LEU A 118 -12.964 -5.983 -0.764 1.00 0.00 C ATOM 1281 C LEU A 118 -13.224 -6.861 0.456 1.00 0.00 C ATOM 1282 O LEU A 118 -12.315 -7.513 0.969 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.108 -4.508 -0.385 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.425 -3.505 -1.315 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -12.993 -2.110 -1.107 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.920 -3.509 -1.091 1.00 0.00 C ATOM 0 H LEU A 118 -14.418 -5.527 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.946 -6.166 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.170 -4.267 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.708 -4.371 0.620 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.620 -3.804 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.494 -1.410 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.062 -2.117 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.830 -1.801 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.450 -2.789 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.705 -3.236 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.525 -4.504 -1.293 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.472 -6.874 0.913 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.854 -7.675 2.070 1.00 0.00 C ATOM 1300 C ASP A 119 -14.415 -9.126 1.896 1.00 0.00 C ATOM 1301 O ASP A 119 -13.815 -9.715 2.794 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.366 -7.609 2.286 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.772 -8.045 3.680 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -16.455 -9.192 4.059 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.407 -7.239 4.393 1.00 0.00 O ATOM 0 H ASP A 119 -15.236 -6.339 0.500 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.352 -7.265 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.711 -6.589 2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.863 -8.243 1.551 1.00 0.00 H new ATOM 1310 N SER A 120 -14.719 -9.695 0.734 1.00 0.00 N ATOM 1311 CA SER A 120 -14.361 -11.078 0.443 1.00 0.00 C ATOM 1312 C SER A 120 -12.855 -11.218 0.242 1.00 0.00 C ATOM 1313 O SER A 120 -12.289 -12.294 0.435 1.00 0.00 O ATOM 1314 CB SER A 120 -15.101 -11.568 -0.803 1.00 0.00 C ATOM 1315 OG SER A 120 -14.437 -11.158 -1.985 1.00 0.00 O ATOM 0 H SER A 120 -15.213 -9.219 -0.021 1.00 0.00 H new ATOM 0 HA SER A 120 -14.655 -11.690 1.295 1.00 0.00 H new ATOM 0 HB2 SER A 120 -15.174 -12.655 -0.782 1.00 0.00 H new ATOM 0 HB3 SER A 120 -16.119 -11.180 -0.801 1.00 0.00 H new ATOM 0 HG SER A 120 -14.117 -10.238 -1.878 1.00 0.00 H new ATOM 1321 N TYR A 121 -12.212 -10.123 -0.149 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.773 -10.123 -0.380 1.00 0.00 C ATOM 1323 C TYR A 121 -10.011 -10.308 0.929 1.00 0.00 C ATOM 1324 O TYR A 121 -8.948 -10.928 0.959 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.343 -8.818 -1.052 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.353 -8.883 -2.562 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.675 -9.891 -3.238 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -11.038 -7.937 -3.314 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.681 -9.954 -4.618 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -11.050 -7.993 -4.694 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.370 -9.003 -5.342 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.378 -9.062 -6.716 1.00 0.00 O ATOM 0 H TYR A 121 -12.665 -9.224 -0.313 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.537 -10.959 -1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -11.006 -8.016 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.340 -8.559 -0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -9.135 -10.637 -2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.571 -7.144 -2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -9.149 -10.744 -5.128 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.589 -7.250 -5.263 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.910 -8.320 -7.072 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.564 -9.768 2.010 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.938 -9.872 3.322 1.00 0.00 C ATOM 1344 C ARG A 122 -10.291 -11.199 3.989 1.00 0.00 C ATOM 1345 O ARG A 122 -9.448 -11.826 4.630 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.376 -8.709 4.214 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.614 -7.420 3.951 1.00 0.00 C ATOM 1348 CD ARG A 122 -10.467 -6.197 4.253 1.00 0.00 C ATOM 1349 NE ARG A 122 -10.806 -6.103 5.670 1.00 0.00 N ATOM 1350 CZ ARG A 122 -11.291 -5.004 6.238 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -11.493 -3.913 5.513 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -11.575 -4.996 7.534 1.00 0.00 N ATOM 0 H ARG A 122 -11.445 -9.254 2.003 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.857 -9.829 3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.441 -8.529 4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -10.244 -8.993 5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.713 -7.397 4.564 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.292 -7.392 2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -9.932 -5.298 3.948 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -11.383 -6.239 3.663 1.00 0.00 H new ATOM 0 HE ARG A 122 -10.663 -6.926 6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -11.276 -3.916 4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -11.865 -3.071 5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -11.421 -5.834 8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -11.947 -4.152 7.969 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.542 -11.619 3.833 1.00 0.00 N ATOM 1367 CA ARG A 123 -12.007 -12.869 4.420 1.00 0.00 C ATOM 1368 C ARG A 123 -11.277 -14.062 3.810 1.00 0.00 C ATOM 1369 O ARG A 123 -11.136 -15.107 4.443 1.00 0.00 O ATOM 1370 CB ARG A 123 -13.516 -13.023 4.217 1.00 0.00 C ATOM 1371 CG ARG A 123 -13.888 -13.690 2.903 1.00 0.00 C ATOM 1372 CD ARG A 123 -15.397 -13.804 2.744 1.00 0.00 C ATOM 1373 NE ARG A 123 -15.767 -14.764 1.708 1.00 0.00 N ATOM 1374 CZ ARG A 123 -16.936 -15.393 1.672 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -17.844 -15.165 2.611 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -17.199 -16.252 0.696 1.00 0.00 N ATOM 0 H ARG A 123 -12.252 -11.111 3.305 1.00 0.00 H new ATOM 0 HA ARG A 123 -11.792 -12.841 5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.927 -13.607 5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.982 -12.039 4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -13.476 -13.116 2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -13.440 -14.683 2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -15.840 -14.106 3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -15.810 -12.826 2.497 1.00 0.00 H new ATOM 0 HE ARG A 123 -15.090 -14.962 0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -17.645 -14.505 3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -18.741 -15.649 2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -16.503 -16.430 -0.028 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -18.097 -16.734 0.670 1.00 0.00 H new ATOM 1390 N GLY A 124 -10.814 -13.897 2.575 1.00 0.00 N ATOM 1391 CA GLY A 124 -10.104 -14.967 1.899 1.00 0.00 C ATOM 1392 C GLY A 124 -10.975 -16.187 1.673 1.00 0.00 C ATOM 1393 O GLY A 124 -12.201 -16.086 1.643 1.00 0.00 O ATOM 0 H GLY A 124 -10.918 -13.041 2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.735 -14.605 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.233 -15.251 2.489 1.00 0.00 H new ATOM 1397 N SER A 125 -10.340 -17.344 1.511 1.00 0.00 N ATOM 1398 CA SER A 125 -11.065 -18.588 1.280 1.00 0.00 C ATOM 1399 C SER A 125 -12.372 -18.609 2.066 1.00 0.00 C ATOM 1400 O SER A 125 -13.435 -18.895 1.517 1.00 0.00 O ATOM 1401 CB SER A 125 -10.200 -19.787 1.674 1.00 0.00 C ATOM 1402 OG SER A 125 -10.697 -20.984 1.102 1.00 0.00 O ATOM 0 H SER A 125 -9.325 -17.445 1.535 1.00 0.00 H new ATOM 0 HA SER A 125 -11.300 -18.652 0.217 1.00 0.00 H new ATOM 0 HB2 SER A 125 -9.174 -19.622 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 125 -10.177 -19.881 2.760 1.00 0.00 H new ATOM 0 HG SER A 125 -10.126 -21.735 1.367 1.00 0.00 H new ATOM 1408 N GLY A 126 -12.284 -18.304 3.357 1.00 0.00 N ATOM 1409 CA GLY A 126 -13.466 -18.293 4.199 1.00 0.00 C ATOM 1410 C GLY A 126 -13.139 -18.018 5.653 1.00 0.00 C ATOM 1411 O GLY A 126 -12.626 -16.957 6.007 1.00 0.00 O ATOM 0 H GLY A 126 -11.415 -18.064 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -14.160 -17.535 3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -13.974 -19.254 4.119 1.00 0.00 H new ATOM 1415 N PRO A 127 -13.442 -18.991 6.526 1.00 0.00 N ATOM 1416 CA PRO A 127 -13.187 -18.872 7.965 1.00 0.00 C ATOM 1417 C PRO A 127 -11.699 -18.904 8.294 1.00 0.00 C ATOM 1418 O PRO A 127 -10.873 -19.241 7.446 1.00 0.00 O ATOM 1419 CB PRO A 127 -13.892 -20.096 8.553 1.00 0.00 C ATOM 1420 CG PRO A 127 -13.924 -21.086 7.440 1.00 0.00 C ATOM 1421 CD PRO A 127 -14.056 -20.283 6.175 1.00 0.00 C ATOM 0 HA PRO A 127 -13.546 -17.924 8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -13.352 -20.487 9.415 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -14.898 -19.849 8.892 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -13.015 -21.688 7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -14.761 -21.775 7.554 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -13.541 -20.759 5.341 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -15.099 -20.166 5.880 1.00 0.00 H new ATOM 1429 N SER A 128 -11.363 -18.554 9.532 1.00 0.00 N ATOM 1430 CA SER A 128 -9.973 -18.540 9.972 1.00 0.00 C ATOM 1431 C SER A 128 -9.321 -19.902 9.755 1.00 0.00 C ATOM 1432 O SER A 128 -9.991 -20.935 9.781 1.00 0.00 O ATOM 1433 CB SER A 128 -9.888 -18.151 11.449 1.00 0.00 C ATOM 1434 OG SER A 128 -8.598 -17.664 11.775 1.00 0.00 O ATOM 0 H SER A 128 -12.035 -18.276 10.248 1.00 0.00 H new ATOM 0 HA SER A 128 -9.437 -17.801 9.377 1.00 0.00 H new ATOM 0 HB2 SER A 128 -10.635 -17.389 11.671 1.00 0.00 H new ATOM 0 HB3 SER A 128 -10.121 -19.016 12.070 1.00 0.00 H new ATOM 0 HG SER A 128 -8.570 -17.421 12.724 1.00 0.00 H new ATOM 1440 N SER A 129 -8.009 -19.895 9.540 1.00 0.00 N ATOM 1441 CA SER A 129 -7.266 -21.129 9.314 1.00 0.00 C ATOM 1442 C SER A 129 -5.834 -21.002 9.826 1.00 0.00 C ATOM 1443 O SER A 129 -5.272 -19.908 9.867 1.00 0.00 O ATOM 1444 CB SER A 129 -7.257 -21.479 7.824 1.00 0.00 C ATOM 1445 OG SER A 129 -6.421 -20.595 7.098 1.00 0.00 O ATOM 0 H SER A 129 -7.439 -19.049 9.518 1.00 0.00 H new ATOM 0 HA SER A 129 -7.762 -21.928 9.865 1.00 0.00 H new ATOM 0 HB2 SER A 129 -6.911 -22.504 7.690 1.00 0.00 H new ATOM 0 HB3 SER A 129 -8.272 -21.431 7.430 1.00 0.00 H new ATOM 0 HG SER A 129 -6.431 -20.840 6.149 1.00 0.00 H new ATOM 1451 N GLY A 130 -5.250 -22.131 10.216 1.00 0.00 N ATOM 1452 CA GLY A 130 -3.889 -22.125 10.721 1.00 0.00 C ATOM 1453 C GLY A 130 -2.877 -22.525 9.666 1.00 0.00 C ATOM 1454 O GLY A 130 -3.241 -22.816 8.527 1.00 0.00 O ATOM 0 H GLY A 130 -5.694 -23.049 10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.647 -21.129 11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.816 -22.808 11.567 1.00 0.00 H new TER 1458 GLY A 130