USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 733 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 136 ASN : amide:sc= -1.01 K(o=-1.5,f=-3.3!) USER MOD Set 1.2: A 140 LYS NZ :NH3+ -177:sc= -0.471 (180deg=0) USER MOD Set 2.1: A 75 GLN : amide:sc= -0.847 X(o=-1.4,f=-0.99) USER MOD Set 2.2: A 78 ASN : amide:sc= -0.596 K(o=-1.4,f=-2.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.254 F(o=-1.4,f=-0.25) USER MOD Single : A 74 LYS NZ :NH3+ 138:sc= -0.728 (180deg=-4.06!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.0183 USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= -0.0576 (180deg=-0.398) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.015 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc=-0.00822 K(o=-0.0082,f=-1.7!) USER MOD Single : A 94 HIS : no HD1:sc= -0.537 X(o=-0.54,f=-0.26) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.0678 K(o=-0.068,f=-1.9!) USER MOD Single : A 106 THR OG1 : rot 25:sc= -0.273 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc=-0.00421 X(o=-0.0042,f=-0.0042) USER MOD Single : A 112 TYR OH : rot 110:sc= -0.289 USER MOD Single : A 113 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.85) USER MOD Single : A 120 SER OG : rot -31:sc= 0.253 USER MOD Single : A 122 GLN : amide:sc= 0.123 X(o=0.12,f=-0.31) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= -0.322 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -1.75! C(o=-1.7!,f=-3.9!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 150:sc= -3.66! USER MOD Single : A 134 SER OG : rot -24:sc= -2.45! USER MOD Single : A 135 THR OG1 : rot -42:sc= 0.97 USER MOD Single : A 137 MET CE :methyl -169:sc=-0.000698 (180deg=-0.107) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 TYR OH : rot 98:sc= 0.0164 USER MOD Single : A 145 THR OG1 : rot 77:sc= 0.148 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 MET CE :methyl 159:sc= -0.122 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 65 9.904 2.241 -6.216 1.00 0.00 N ATOM 16 CA PHE A 65 8.574 2.386 -5.553 1.00 0.00 C ATOM 17 C PHE A 65 8.663 1.858 -4.114 1.00 0.00 C ATOM 18 O PHE A 65 8.061 2.389 -3.201 1.00 0.00 O ATOM 19 CB PHE A 65 7.517 1.570 -6.319 1.00 0.00 C ATOM 20 CG PHE A 65 7.870 1.500 -7.789 1.00 0.00 C ATOM 21 CD1 PHE A 65 8.090 2.674 -8.516 1.00 0.00 C ATOM 22 CD2 PHE A 65 7.963 0.252 -8.427 1.00 0.00 C ATOM 23 CE1 PHE A 65 8.404 2.605 -9.880 1.00 0.00 C ATOM 24 CE2 PHE A 65 8.278 0.184 -9.789 1.00 0.00 C ATOM 25 CZ PHE A 65 8.498 1.359 -10.516 1.00 0.00 C ATOM 0 HA PHE A 65 8.290 3.438 -5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.455 0.564 -5.905 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.535 2.027 -6.195 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.018 3.634 -8.026 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.791 -0.655 -7.867 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.574 3.512 -10.441 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.351 -0.776 -10.279 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.740 1.306 -11.567 1.00 0.00 H new ATOM 35 N LYS A 66 9.388 0.792 -3.925 1.00 0.00 N ATOM 36 CA LYS A 66 9.501 0.192 -2.568 1.00 0.00 C ATOM 37 C LYS A 66 10.096 1.215 -1.599 1.00 0.00 C ATOM 38 O LYS A 66 9.678 1.326 -0.462 1.00 0.00 O ATOM 39 CB LYS A 66 10.409 -1.039 -2.634 1.00 0.00 C ATOM 40 CG LYS A 66 10.431 -1.744 -1.273 1.00 0.00 C ATOM 41 CD LYS A 66 11.299 -3.004 -1.359 1.00 0.00 C ATOM 42 CE LYS A 66 11.305 -3.714 -0.002 1.00 0.00 C ATOM 43 NZ LYS A 66 12.136 -4.950 -0.089 1.00 0.00 N ATOM 0 H LYS A 66 9.910 0.308 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 66 8.511 -0.101 -2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.052 -1.724 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.419 -0.742 -2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.824 -1.071 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.417 -2.009 -0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.914 -3.672 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.316 -2.739 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.702 -3.050 0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.287 -3.968 0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.140 -5.432 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.739 -5.585 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.110 -4.696 -0.351 1.00 0.00 H new ATOM 57 N GLN A 67 11.072 1.958 -2.033 1.00 0.00 N ATOM 58 CA GLN A 67 11.693 2.972 -1.133 1.00 0.00 C ATOM 59 C GLN A 67 10.655 4.040 -0.774 1.00 0.00 C ATOM 60 O GLN A 67 10.505 4.419 0.372 1.00 0.00 O ATOM 61 CB GLN A 67 12.864 3.634 -1.860 1.00 0.00 C ATOM 62 CG GLN A 67 13.618 4.567 -0.905 1.00 0.00 C ATOM 63 CD GLN A 67 14.265 3.747 0.212 1.00 0.00 C ATOM 64 OE1 GLN A 67 14.660 2.527 -0.036 1.00 0.00 O flip ATOM 65 NE2 GLN A 67 14.411 4.219 1.322 1.00 0.00 N flip ATOM 0 H GLN A 67 11.468 1.909 -2.972 1.00 0.00 H new ATOM 0 HA GLN A 67 12.047 2.487 -0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.541 2.871 -2.245 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.498 4.198 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.381 5.122 -1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.932 5.300 -0.481 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.103 5.172 1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.842 3.663 2.060 1.00 0.00 H new ATOM 74 N VAL A 68 9.943 4.531 -1.751 1.00 0.00 N ATOM 75 CA VAL A 68 8.916 5.577 -1.478 1.00 0.00 C ATOM 76 C VAL A 68 7.803 4.988 -0.606 1.00 0.00 C ATOM 77 O VAL A 68 7.371 5.583 0.362 1.00 0.00 O ATOM 78 CB VAL A 68 8.322 6.053 -2.804 1.00 0.00 C ATOM 79 CG1 VAL A 68 7.152 7.005 -2.539 1.00 0.00 C ATOM 80 CG2 VAL A 68 9.397 6.780 -3.617 1.00 0.00 C ATOM 0 H VAL A 68 10.028 4.253 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 68 9.378 6.416 -0.957 1.00 0.00 H new ATOM 0 HB VAL A 68 7.963 5.190 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.734 7.340 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.383 6.486 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.505 7.867 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.972 7.119 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.760 7.640 -3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.225 6.100 -3.815 1.00 0.00 H new ATOM 90 N ALA A 69 7.335 3.820 -0.951 1.00 0.00 N ATOM 91 CA ALA A 69 6.250 3.186 -0.149 1.00 0.00 C ATOM 92 C ALA A 69 6.783 2.845 1.243 1.00 0.00 C ATOM 93 O ALA A 69 6.117 3.025 2.242 1.00 0.00 O ATOM 94 CB ALA A 69 5.791 1.907 -0.847 1.00 0.00 C ATOM 0 H ALA A 69 7.656 3.277 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 69 5.409 3.874 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.997 1.439 -0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.416 2.150 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.631 1.218 -0.934 1.00 0.00 H new ATOM 100 N ASP A 70 7.988 2.357 1.309 1.00 0.00 N ATOM 101 CA ASP A 70 8.587 2.005 2.626 1.00 0.00 C ATOM 102 C ASP A 70 8.743 3.279 3.460 1.00 0.00 C ATOM 103 O ASP A 70 8.593 3.273 4.666 1.00 0.00 O ATOM 104 CB ASP A 70 9.956 1.366 2.397 1.00 0.00 C ATOM 105 CG ASP A 70 10.593 1.004 3.740 1.00 0.00 C ATOM 106 OD1 ASP A 70 10.032 1.373 4.759 1.00 0.00 O ATOM 107 OD2 ASP A 70 11.634 0.367 3.726 1.00 0.00 O ATOM 0 H ASP A 70 8.588 2.185 0.502 1.00 0.00 H new ATOM 0 HA ASP A 70 7.943 1.302 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.852 0.472 1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.602 2.055 1.852 1.00 0.00 H new ATOM 112 N ASP A 71 9.048 4.370 2.818 1.00 0.00 N ATOM 113 CA ASP A 71 9.218 5.654 3.554 1.00 0.00 C ATOM 114 C ASP A 71 7.902 6.042 4.232 1.00 0.00 C ATOM 115 O ASP A 71 7.878 6.475 5.368 1.00 0.00 O ATOM 116 CB ASP A 71 9.615 6.749 2.564 1.00 0.00 C ATOM 117 CG ASP A 71 9.817 8.072 3.305 1.00 0.00 C ATOM 118 OD1 ASP A 71 9.515 8.119 4.487 1.00 0.00 O ATOM 119 OD2 ASP A 71 10.267 9.016 2.678 1.00 0.00 O ATOM 0 H ASP A 71 9.188 4.429 1.809 1.00 0.00 H new ATOM 0 HA ASP A 71 9.993 5.537 4.312 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.532 6.468 2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.842 6.862 1.804 1.00 0.00 H new ATOM 124 N TRP A 72 6.805 5.903 3.539 1.00 0.00 N ATOM 125 CA TRP A 72 5.496 6.279 4.145 1.00 0.00 C ATOM 126 C TRP A 72 5.231 5.395 5.375 1.00 0.00 C ATOM 127 O TRP A 72 4.906 5.876 6.444 1.00 0.00 O ATOM 128 CB TRP A 72 4.386 6.076 3.096 1.00 0.00 C ATOM 129 CG TRP A 72 3.266 7.041 3.334 1.00 0.00 C ATOM 130 CD1 TRP A 72 3.014 8.130 2.574 1.00 0.00 C ATOM 131 CD2 TRP A 72 2.256 7.030 4.383 1.00 0.00 C ATOM 132 NE1 TRP A 72 1.915 8.790 3.090 1.00 0.00 N ATOM 133 CE2 TRP A 72 1.412 8.151 4.206 1.00 0.00 C ATOM 134 CE3 TRP A 72 1.993 6.168 5.461 1.00 0.00 C ATOM 135 CZ2 TRP A 72 0.346 8.406 5.066 1.00 0.00 C ATOM 136 CZ3 TRP A 72 0.919 6.421 6.330 1.00 0.00 C ATOM 137 CH2 TRP A 72 0.098 7.538 6.133 1.00 0.00 C ATOM 0 H TRP A 72 6.758 5.547 2.584 1.00 0.00 H new ATOM 0 HA TRP A 72 5.512 7.323 4.458 1.00 0.00 H new ATOM 0 HB2 TRP A 72 4.792 6.219 2.094 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.011 5.054 3.146 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.579 8.435 1.706 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.523 9.645 2.695 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.621 5.305 5.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.285 9.269 4.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.725 5.751 7.154 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.726 7.729 6.805 1.00 0.00 H new ATOM 148 N LEU A 73 5.374 4.108 5.225 1.00 0.00 N ATOM 149 CA LEU A 73 5.144 3.189 6.378 1.00 0.00 C ATOM 150 C LEU A 73 6.200 3.447 7.457 1.00 0.00 C ATOM 151 O LEU A 73 5.913 3.466 8.638 1.00 0.00 O ATOM 152 CB LEU A 73 5.234 1.737 5.892 1.00 0.00 C ATOM 153 CG LEU A 73 3.888 1.297 5.289 1.00 0.00 C ATOM 154 CD1 LEU A 73 2.810 1.170 6.389 1.00 0.00 C ATOM 155 CD2 LEU A 73 3.445 2.324 4.236 1.00 0.00 C ATOM 0 H LEU A 73 5.641 3.651 4.353 1.00 0.00 H new ATOM 0 HA LEU A 73 4.155 3.367 6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.023 1.643 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.500 1.083 6.722 1.00 0.00 H new ATOM 0 HG LEU A 73 4.013 0.321 4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.867 0.858 5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.125 0.429 7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.676 2.134 6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.492 2.016 3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.333 3.301 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.196 2.384 3.448 1.00 0.00 H new ATOM 167 N LYS A 74 7.420 3.642 7.053 1.00 0.00 N ATOM 168 CA LYS A 74 8.496 3.899 8.044 1.00 0.00 C ATOM 169 C LYS A 74 8.205 5.204 8.786 1.00 0.00 C ATOM 170 O LYS A 74 8.310 5.282 9.995 1.00 0.00 O ATOM 171 CB LYS A 74 9.830 4.019 7.313 1.00 0.00 C ATOM 172 CG LYS A 74 10.964 4.159 8.329 1.00 0.00 C ATOM 173 CD LYS A 74 12.304 4.253 7.587 1.00 0.00 C ATOM 174 CE LYS A 74 12.593 2.946 6.830 1.00 0.00 C ATOM 175 NZ LYS A 74 12.069 3.063 5.440 1.00 0.00 N ATOM 0 H LYS A 74 7.719 3.635 6.078 1.00 0.00 H new ATOM 0 HA LYS A 74 8.540 3.078 8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.994 3.140 6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.815 4.883 6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.811 5.048 8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.969 3.304 9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.281 5.088 6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.106 4.454 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.665 2.750 6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.124 2.104 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.757 2.657 4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.169 2.548 5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.915 4.066 5.210 1.00 0.00 H new ATOM 189 N GLN A 75 7.846 6.229 8.068 1.00 0.00 N ATOM 190 CA GLN A 75 7.549 7.533 8.724 1.00 0.00 C ATOM 191 C GLN A 75 6.285 7.394 9.578 1.00 0.00 C ATOM 192 O GLN A 75 6.190 7.928 10.666 1.00 0.00 O ATOM 193 CB GLN A 75 7.327 8.600 7.651 1.00 0.00 C ATOM 194 CG GLN A 75 7.178 9.977 8.305 1.00 0.00 C ATOM 195 CD GLN A 75 8.499 10.377 8.964 1.00 0.00 C ATOM 196 OE1 GLN A 75 9.558 10.155 8.413 1.00 0.00 O ATOM 197 NE2 GLN A 75 8.479 10.958 10.132 1.00 0.00 N ATOM 0 H GLN A 75 7.745 6.221 7.053 1.00 0.00 H new ATOM 0 HA GLN A 75 8.386 7.824 9.358 1.00 0.00 H new ATOM 0 HB2 GLN A 75 8.166 8.608 6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.434 8.365 7.072 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.894 10.717 7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.381 9.953 9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.589 11.144 10.594 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.354 11.226 10.583 1.00 0.00 H new ATOM 206 N TYR A 76 5.313 6.680 9.086 1.00 0.00 N ATOM 207 CA TYR A 76 4.050 6.494 9.854 1.00 0.00 C ATOM 208 C TYR A 76 4.312 5.541 11.023 1.00 0.00 C ATOM 209 O TYR A 76 3.505 5.401 11.923 1.00 0.00 O ATOM 210 CB TYR A 76 2.985 5.902 8.933 1.00 0.00 C ATOM 211 CG TYR A 76 1.690 5.726 9.688 1.00 0.00 C ATOM 212 CD1 TYR A 76 0.821 6.811 9.849 1.00 0.00 C ATOM 213 CD2 TYR A 76 1.359 4.476 10.226 1.00 0.00 C ATOM 214 CE1 TYR A 76 -0.380 6.647 10.549 1.00 0.00 C ATOM 215 CE2 TYR A 76 0.157 4.312 10.926 1.00 0.00 C ATOM 216 CZ TYR A 76 -0.712 5.398 11.088 1.00 0.00 C ATOM 217 OH TYR A 76 -1.896 5.237 11.779 1.00 0.00 O ATOM 0 H TYR A 76 5.339 6.214 8.179 1.00 0.00 H new ATOM 0 HA TYR A 76 3.702 7.453 10.238 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.829 6.556 8.075 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.322 4.941 8.544 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.077 7.774 9.433 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.030 3.639 10.101 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.051 7.484 10.673 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.100 3.348 11.341 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.972 4.309 12.085 1.00 0.00 H new ATOM 227 N ALA A 77 5.438 4.887 11.009 1.00 0.00 N ATOM 228 CA ALA A 77 5.771 3.940 12.108 1.00 0.00 C ATOM 229 C ALA A 77 6.041 4.726 13.398 1.00 0.00 C ATOM 230 O ALA A 77 6.201 4.160 14.463 1.00 0.00 O ATOM 231 CB ALA A 77 7.022 3.148 11.723 1.00 0.00 C ATOM 0 H ALA A 77 6.146 4.968 10.279 1.00 0.00 H new ATOM 0 HA ALA A 77 4.937 3.257 12.270 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.273 2.452 12.523 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.832 2.592 10.805 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.854 3.835 11.566 1.00 0.00 H new ATOM 237 N ASN A 78 6.104 6.027 13.304 1.00 0.00 N ATOM 238 CA ASN A 78 6.378 6.852 14.515 1.00 0.00 C ATOM 239 C ASN A 78 5.227 6.727 15.517 1.00 0.00 C ATOM 240 O ASN A 78 4.071 6.890 15.179 1.00 0.00 O ATOM 241 CB ASN A 78 6.533 8.319 14.106 1.00 0.00 C ATOM 242 CG ASN A 78 7.866 8.513 13.377 1.00 0.00 C ATOM 243 OD1 ASN A 78 8.758 7.695 13.491 1.00 0.00 O ATOM 244 ND2 ASN A 78 8.041 9.567 12.626 1.00 0.00 N ATOM 0 H ASN A 78 5.977 6.554 12.440 1.00 0.00 H new ATOM 0 HA ASN A 78 7.296 6.496 14.983 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.707 8.616 13.459 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.493 8.959 14.988 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.925 9.703 12.136 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.293 10.254 12.529 1.00 0.00 H new ATOM 251 N ASP A 79 5.553 6.448 16.753 1.00 0.00 N ATOM 252 CA ASP A 79 4.506 6.314 17.812 1.00 0.00 C ATOM 253 C ASP A 79 3.482 5.249 17.407 1.00 0.00 C ATOM 254 O ASP A 79 3.819 4.097 17.211 1.00 0.00 O ATOM 255 CB ASP A 79 3.793 7.656 18.010 1.00 0.00 C ATOM 256 CG ASP A 79 2.804 7.546 19.173 1.00 0.00 C ATOM 257 OD1 ASP A 79 2.617 6.446 19.666 1.00 0.00 O ATOM 258 OD2 ASP A 79 2.248 8.565 19.551 1.00 0.00 O ATOM 0 H ASP A 79 6.509 6.306 17.077 1.00 0.00 H new ATOM 0 HA ASP A 79 4.985 6.015 18.744 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.522 8.440 18.213 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.267 7.938 17.098 1.00 0.00 H new ATOM 263 N VAL A 80 2.237 5.640 17.281 1.00 0.00 N ATOM 264 CA VAL A 80 1.152 4.682 16.890 1.00 0.00 C ATOM 265 C VAL A 80 1.378 3.310 17.530 1.00 0.00 C ATOM 266 O VAL A 80 2.100 3.168 18.499 1.00 0.00 O ATOM 267 CB VAL A 80 1.103 4.527 15.360 1.00 0.00 C ATOM 268 CG1 VAL A 80 0.821 5.883 14.715 1.00 0.00 C ATOM 269 CG2 VAL A 80 2.435 3.979 14.819 1.00 0.00 C ATOM 0 H VAL A 80 1.921 6.597 17.435 1.00 0.00 H new ATOM 0 HA VAL A 80 0.204 5.086 17.246 1.00 0.00 H new ATOM 0 HB VAL A 80 0.308 3.823 15.114 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.787 5.770 13.631 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.137 6.263 15.071 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.611 6.584 14.982 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.374 3.879 13.735 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.242 4.666 15.075 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.634 3.004 15.263 1.00 0.00 H new ATOM 279 N LYS A 81 0.765 2.292 16.981 1.00 0.00 N ATOM 280 CA LYS A 81 0.939 0.921 17.533 1.00 0.00 C ATOM 281 C LYS A 81 1.968 0.161 16.691 1.00 0.00 C ATOM 282 O LYS A 81 1.925 0.164 15.475 1.00 0.00 O ATOM 283 CB LYS A 81 -0.403 0.193 17.502 1.00 0.00 C ATOM 284 CG LYS A 81 -1.346 0.846 18.513 1.00 0.00 C ATOM 285 CD LYS A 81 -2.688 0.114 18.513 1.00 0.00 C ATOM 286 CE LYS A 81 -3.599 0.713 19.586 1.00 0.00 C ATOM 287 NZ LYS A 81 -3.883 2.140 19.259 1.00 0.00 N ATOM 0 H LYS A 81 0.149 2.355 16.170 1.00 0.00 H new ATOM 0 HA LYS A 81 1.293 0.978 18.562 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.833 0.239 16.502 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.265 -0.861 17.742 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.904 0.816 19.509 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.494 1.896 18.262 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.159 0.197 17.534 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.534 -0.948 18.704 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.530 0.150 19.643 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.123 0.641 20.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.719 2.458 19.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.064 2.725 19.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.065 2.233 18.239 1.00 0.00 H new ATOM 301 N VAL A 82 2.893 -0.487 17.340 1.00 0.00 N ATOM 302 CA VAL A 82 3.943 -1.259 16.614 1.00 0.00 C ATOM 303 C VAL A 82 3.305 -2.444 15.876 1.00 0.00 C ATOM 304 O VAL A 82 3.639 -2.741 14.744 1.00 0.00 O ATOM 305 CB VAL A 82 4.962 -1.775 17.631 1.00 0.00 C ATOM 306 CG1 VAL A 82 5.937 -2.740 16.951 1.00 0.00 C ATOM 307 CG2 VAL A 82 5.740 -0.593 18.217 1.00 0.00 C ATOM 0 H VAL A 82 2.969 -0.516 18.357 1.00 0.00 H new ATOM 0 HA VAL A 82 4.436 -0.616 15.885 1.00 0.00 H new ATOM 0 HB VAL A 82 4.437 -2.301 18.428 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.659 -3.103 17.682 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.385 -3.584 16.537 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.462 -2.221 16.149 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.467 -0.959 18.942 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.260 -0.067 17.416 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.048 0.090 18.710 1.00 0.00 H new ATOM 317 N SER A 83 2.404 -3.134 16.519 1.00 0.00 N ATOM 318 CA SER A 83 1.753 -4.310 15.869 1.00 0.00 C ATOM 319 C SER A 83 0.994 -3.865 14.613 1.00 0.00 C ATOM 320 O SER A 83 1.053 -4.500 13.577 1.00 0.00 O ATOM 321 CB SER A 83 0.769 -4.938 16.852 1.00 0.00 C ATOM 322 OG SER A 83 0.162 -6.076 16.253 1.00 0.00 O ATOM 0 H SER A 83 2.089 -2.935 17.468 1.00 0.00 H new ATOM 0 HA SER A 83 2.517 -5.034 15.586 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.287 -5.228 17.766 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.007 -4.212 17.134 1.00 0.00 H new ATOM 0 HG SER A 83 -0.469 -6.481 16.884 1.00 0.00 H new ATOM 328 N SER A 84 0.274 -2.785 14.706 1.00 0.00 N ATOM 329 CA SER A 84 -0.501 -2.292 13.531 1.00 0.00 C ATOM 330 C SER A 84 0.448 -1.936 12.382 1.00 0.00 C ATOM 331 O SER A 84 0.189 -2.229 11.230 1.00 0.00 O ATOM 332 CB SER A 84 -1.281 -1.045 13.942 1.00 0.00 C ATOM 333 OG SER A 84 -2.133 -1.360 15.036 1.00 0.00 O ATOM 0 H SER A 84 0.187 -2.218 15.549 1.00 0.00 H new ATOM 0 HA SER A 84 -1.184 -3.073 13.197 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.592 -0.247 14.221 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.870 -0.678 13.102 1.00 0.00 H new ATOM 0 HG SER A 84 -2.633 -0.560 15.302 1.00 0.00 H new ATOM 339 N VAL A 85 1.537 -1.292 12.688 1.00 0.00 N ATOM 340 CA VAL A 85 2.505 -0.896 11.624 1.00 0.00 C ATOM 341 C VAL A 85 3.116 -2.144 10.977 1.00 0.00 C ATOM 342 O VAL A 85 3.265 -2.224 9.773 1.00 0.00 O ATOM 343 CB VAL A 85 3.620 -0.054 12.247 1.00 0.00 C ATOM 344 CG1 VAL A 85 4.695 0.243 11.194 1.00 0.00 C ATOM 345 CG2 VAL A 85 3.038 1.263 12.777 1.00 0.00 C ATOM 0 H VAL A 85 1.802 -1.020 13.635 1.00 0.00 H new ATOM 0 HA VAL A 85 1.982 -0.318 10.862 1.00 0.00 H new ATOM 0 HB VAL A 85 4.069 -0.607 13.072 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.487 0.843 11.642 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.113 -0.694 10.827 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.250 0.792 10.364 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.835 1.861 13.220 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.583 1.817 11.955 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.282 1.049 13.532 1.00 0.00 H new ATOM 355 N ARG A 86 3.491 -3.108 11.770 1.00 0.00 N ATOM 356 CA ARG A 86 4.112 -4.341 11.207 1.00 0.00 C ATOM 357 C ARG A 86 3.123 -5.052 10.274 1.00 0.00 C ATOM 358 O ARG A 86 3.478 -5.500 9.201 1.00 0.00 O ATOM 359 CB ARG A 86 4.491 -5.281 12.354 1.00 0.00 C ATOM 360 CG ARG A 86 5.220 -6.506 11.794 1.00 0.00 C ATOM 361 CD ARG A 86 5.669 -7.417 12.942 1.00 0.00 C ATOM 362 NE ARG A 86 4.476 -7.958 13.658 1.00 0.00 N ATOM 363 CZ ARG A 86 3.885 -9.048 13.239 1.00 0.00 C ATOM 364 NH1 ARG A 86 4.324 -9.672 12.181 1.00 0.00 N ATOM 365 NH2 ARG A 86 2.849 -9.510 13.882 1.00 0.00 N ATOM 0 H ARG A 86 3.395 -3.096 12.785 1.00 0.00 H new ATOM 0 HA ARG A 86 5.001 -4.067 10.640 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.129 -4.761 13.068 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.596 -5.592 12.893 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.562 -7.054 11.119 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.084 -6.190 11.210 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.273 -8.237 12.552 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.298 -6.859 13.636 1.00 0.00 H new ATOM 0 HE ARG A 86 4.118 -7.474 14.481 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.133 -9.311 11.675 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.859 -10.521 11.860 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.502 -9.022 14.708 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.385 -10.359 13.559 1.00 0.00 H new ATOM 379 N ALA A 87 1.889 -5.165 10.679 1.00 0.00 N ATOM 380 CA ALA A 87 0.881 -5.854 9.819 1.00 0.00 C ATOM 381 C ALA A 87 0.614 -5.024 8.559 1.00 0.00 C ATOM 382 O ALA A 87 0.529 -5.544 7.461 1.00 0.00 O ATOM 383 CB ALA A 87 -0.421 -6.008 10.603 1.00 0.00 C ATOM 0 H ALA A 87 1.533 -4.811 11.567 1.00 0.00 H new ATOM 0 HA ALA A 87 1.263 -6.833 9.530 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.163 -6.510 9.982 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.238 -6.600 11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.793 -5.024 10.888 1.00 0.00 H new ATOM 389 N ARG A 88 0.478 -3.737 8.713 1.00 0.00 N ATOM 390 CA ARG A 88 0.218 -2.859 7.534 1.00 0.00 C ATOM 391 C ARG A 88 1.462 -2.827 6.639 1.00 0.00 C ATOM 392 O ARG A 88 1.374 -2.798 5.426 1.00 0.00 O ATOM 393 CB ARG A 88 -0.105 -1.447 8.028 1.00 0.00 C ATOM 394 CG ARG A 88 -1.450 -1.456 8.765 1.00 0.00 C ATOM 395 CD ARG A 88 -1.696 -0.092 9.424 1.00 0.00 C ATOM 396 NE ARG A 88 -1.930 0.943 8.378 1.00 0.00 N ATOM 397 CZ ARG A 88 -2.055 2.203 8.712 1.00 0.00 C ATOM 398 NH1 ARG A 88 -1.962 2.563 9.963 1.00 0.00 N ATOM 399 NH2 ARG A 88 -2.282 3.100 7.794 1.00 0.00 N ATOM 0 H ARG A 88 0.536 -3.251 9.608 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.624 -3.245 6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.683 -1.094 8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.145 -0.756 7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.255 -1.682 8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.454 -2.241 9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.557 -0.150 10.089 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.838 0.185 10.037 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.993 0.669 7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.791 1.862 10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.060 3.545 10.220 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.362 2.820 6.816 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.380 4.082 8.053 1.00 0.00 H new ATOM 413 N GLU A 89 2.621 -2.824 7.238 1.00 0.00 N ATOM 414 CA GLU A 89 3.886 -2.786 6.443 1.00 0.00 C ATOM 415 C GLU A 89 4.019 -4.074 5.623 1.00 0.00 C ATOM 416 O GLU A 89 4.376 -4.052 4.461 1.00 0.00 O ATOM 417 CB GLU A 89 5.071 -2.677 7.405 1.00 0.00 C ATOM 418 CG GLU A 89 6.372 -2.534 6.612 1.00 0.00 C ATOM 419 CD GLU A 89 7.552 -2.405 7.579 1.00 0.00 C ATOM 420 OE1 GLU A 89 7.358 -2.655 8.757 1.00 0.00 O ATOM 421 OE2 GLU A 89 8.629 -2.060 7.124 1.00 0.00 O ATOM 0 H GLU A 89 2.749 -2.846 8.250 1.00 0.00 H new ATOM 0 HA GLU A 89 3.870 -1.930 5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.939 -1.818 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.117 -3.561 8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.512 -3.400 5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.321 -1.658 5.966 1.00 0.00 H new ATOM 428 N LYS A 90 3.735 -5.194 6.225 1.00 0.00 N ATOM 429 CA LYS A 90 3.838 -6.489 5.492 1.00 0.00 C ATOM 430 C LYS A 90 2.835 -6.508 4.335 1.00 0.00 C ATOM 431 O LYS A 90 3.144 -6.924 3.235 1.00 0.00 O ATOM 432 CB LYS A 90 3.514 -7.628 6.458 1.00 0.00 C ATOM 433 CG LYS A 90 4.671 -7.823 7.443 1.00 0.00 C ATOM 434 CD LYS A 90 4.256 -8.807 8.547 1.00 0.00 C ATOM 435 CE LYS A 90 4.061 -10.209 7.961 1.00 0.00 C ATOM 436 NZ LYS A 90 4.061 -11.214 9.063 1.00 0.00 N ATOM 0 H LYS A 90 3.435 -5.270 7.197 1.00 0.00 H new ATOM 0 HA LYS A 90 4.846 -6.608 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.596 -7.405 7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.339 -8.549 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.548 -8.201 6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.951 -6.866 7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.018 -8.833 9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.332 -8.469 9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.121 -10.257 7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.858 -10.432 7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.929 -12.166 8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.968 -11.174 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.286 -11.004 9.724 1.00 0.00 H new ATOM 450 N ALA A 91 1.635 -6.062 4.580 1.00 0.00 N ATOM 451 CA ALA A 91 0.607 -6.051 3.503 1.00 0.00 C ATOM 452 C ALA A 91 1.008 -5.055 2.410 1.00 0.00 C ATOM 453 O ALA A 91 0.878 -5.323 1.231 1.00 0.00 O ATOM 454 CB ALA A 91 -0.737 -5.634 4.100 1.00 0.00 C ATOM 0 H ALA A 91 1.321 -5.704 5.482 1.00 0.00 H new ATOM 0 HA ALA A 91 0.528 -7.047 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.495 -5.624 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.026 -6.343 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.649 -4.638 4.533 1.00 0.00 H new ATOM 460 N ILE A 92 1.491 -3.905 2.794 1.00 0.00 N ATOM 461 CA ILE A 92 1.898 -2.891 1.775 1.00 0.00 C ATOM 462 C ILE A 92 3.093 -3.420 0.977 1.00 0.00 C ATOM 463 O ILE A 92 3.161 -3.287 -0.231 1.00 0.00 O ATOM 464 CB ILE A 92 2.291 -1.579 2.469 1.00 0.00 C ATOM 465 CG1 ILE A 92 1.054 -0.928 3.127 1.00 0.00 C ATOM 466 CG2 ILE A 92 2.902 -0.612 1.436 1.00 0.00 C ATOM 467 CD1 ILE A 92 0.250 -0.110 2.103 1.00 0.00 C ATOM 0 H ILE A 92 1.622 -3.623 3.765 1.00 0.00 H new ATOM 0 HA ILE A 92 1.060 -2.705 1.103 1.00 0.00 H new ATOM 0 HB ILE A 92 3.026 -1.795 3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.419 -1.701 3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.371 -0.282 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.181 0.319 1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.788 -1.066 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.170 -0.404 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.615 0.337 2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.881 0.678 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.087 -0.764 1.299 1.00 0.00 H new ATOM 479 N GLN A 93 4.043 -4.005 1.648 1.00 0.00 N ATOM 480 CA GLN A 93 5.241 -4.532 0.939 1.00 0.00 C ATOM 481 C GLN A 93 4.798 -5.487 -0.172 1.00 0.00 C ATOM 482 O GLN A 93 5.372 -5.525 -1.242 1.00 0.00 O ATOM 483 CB GLN A 93 6.130 -5.278 1.935 1.00 0.00 C ATOM 484 CG GLN A 93 7.363 -5.823 1.210 1.00 0.00 C ATOM 485 CD GLN A 93 8.345 -6.414 2.225 1.00 0.00 C ATOM 486 OE1 GLN A 93 8.263 -6.132 3.406 1.00 0.00 O ATOM 487 NE2 GLN A 93 9.276 -7.229 1.811 1.00 0.00 N ATOM 0 H GLN A 93 4.042 -4.142 2.659 1.00 0.00 H new ATOM 0 HA GLN A 93 5.801 -3.706 0.501 1.00 0.00 H new ATOM 0 HB2 GLN A 93 6.434 -4.608 2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.574 -6.095 2.394 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.065 -6.587 0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.846 -5.025 0.645 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.344 -7.465 0.821 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.936 -7.630 2.477 1.00 0.00 H new ATOM 496 N HIS A 94 3.780 -6.259 0.081 1.00 0.00 N ATOM 497 CA HIS A 94 3.290 -7.218 -0.950 1.00 0.00 C ATOM 498 C HIS A 94 2.721 -6.449 -2.148 1.00 0.00 C ATOM 499 O HIS A 94 2.899 -6.831 -3.291 1.00 0.00 O ATOM 500 CB HIS A 94 2.189 -8.084 -0.341 1.00 0.00 C ATOM 501 CG HIS A 94 2.795 -9.033 0.655 1.00 0.00 C ATOM 502 ND1 HIS A 94 3.955 -9.737 0.386 1.00 0.00 N ATOM 503 CD2 HIS A 94 2.413 -9.407 1.920 1.00 0.00 C ATOM 504 CE1 HIS A 94 4.232 -10.490 1.465 1.00 0.00 C ATOM 505 NE2 HIS A 94 3.323 -10.327 2.429 1.00 0.00 N ATOM 0 H HIS A 94 3.263 -6.268 0.960 1.00 0.00 H new ATOM 0 HA HIS A 94 4.117 -7.844 -1.285 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.444 -7.455 0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.674 -8.641 -1.124 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.539 -9.042 2.440 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.086 -11.147 1.542 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.301 -10.780 3.343 1.00 0.00 H new ATOM 513 N ALA A 95 2.030 -5.374 -1.893 1.00 0.00 N ATOM 514 CA ALA A 95 1.439 -4.584 -3.009 1.00 0.00 C ATOM 515 C ALA A 95 2.541 -4.162 -3.986 1.00 0.00 C ATOM 516 O ALA A 95 2.438 -4.350 -5.185 1.00 0.00 O ATOM 517 CB ALA A 95 0.769 -3.333 -2.430 1.00 0.00 C ATOM 0 H ALA A 95 1.848 -5.007 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 95 0.705 -5.191 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.333 -2.747 -3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.015 -3.630 -1.733 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.512 -2.732 -1.906 1.00 0.00 H new ATOM 523 N ILE A 96 3.597 -3.597 -3.478 1.00 0.00 N ATOM 524 CA ILE A 96 4.714 -3.157 -4.359 1.00 0.00 C ATOM 525 C ILE A 96 5.354 -4.384 -5.014 1.00 0.00 C ATOM 526 O ILE A 96 5.678 -4.374 -6.186 1.00 0.00 O ATOM 527 CB ILE A 96 5.756 -2.403 -3.520 1.00 0.00 C ATOM 528 CG1 ILE A 96 5.274 -0.969 -3.268 1.00 0.00 C ATOM 529 CG2 ILE A 96 7.107 -2.362 -4.253 1.00 0.00 C ATOM 530 CD1 ILE A 96 3.873 -0.995 -2.657 1.00 0.00 C ATOM 0 H ILE A 96 3.737 -3.419 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 96 4.335 -2.494 -5.136 1.00 0.00 H new ATOM 0 HB ILE A 96 5.882 -2.923 -2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.964 -0.456 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.263 -0.409 -4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.835 -1.824 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.459 -3.379 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.987 -1.853 -5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.534 0.026 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.186 -1.491 -3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.898 -1.538 -1.712 1.00 0.00 H new ATOM 542 N GLU A 97 5.559 -5.427 -4.259 1.00 0.00 N ATOM 543 CA GLU A 97 6.201 -6.648 -4.825 1.00 0.00 C ATOM 544 C GLU A 97 5.600 -6.967 -6.202 1.00 0.00 C ATOM 545 O GLU A 97 6.304 -7.139 -7.179 1.00 0.00 O ATOM 546 CB GLU A 97 5.960 -7.828 -3.876 1.00 0.00 C ATOM 547 CG GLU A 97 7.032 -8.901 -4.094 1.00 0.00 C ATOM 548 CD GLU A 97 6.937 -9.434 -5.525 1.00 0.00 C ATOM 549 OE1 GLU A 97 5.827 -9.610 -6.000 1.00 0.00 O ATOM 550 OE2 GLU A 97 7.977 -9.657 -6.124 1.00 0.00 O ATOM 0 H GLU A 97 5.309 -5.487 -3.272 1.00 0.00 H new ATOM 0 HA GLU A 97 7.271 -6.475 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.982 -7.484 -2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.970 -8.250 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.022 -8.482 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.897 -9.715 -3.382 1.00 0.00 H new ATOM 557 N ARG A 98 4.304 -7.042 -6.278 1.00 0.00 N ATOM 558 CA ARG A 98 3.642 -7.344 -7.580 1.00 0.00 C ATOM 559 C ARG A 98 3.905 -6.199 -8.563 1.00 0.00 C ATOM 560 O ARG A 98 4.159 -6.413 -9.734 1.00 0.00 O ATOM 561 CB ARG A 98 2.133 -7.503 -7.352 1.00 0.00 C ATOM 562 CG ARG A 98 1.810 -8.933 -6.905 1.00 0.00 C ATOM 563 CD ARG A 98 2.464 -9.210 -5.552 1.00 0.00 C ATOM 564 NE ARG A 98 2.038 -10.549 -5.058 1.00 0.00 N ATOM 565 CZ ARG A 98 2.709 -11.625 -5.382 1.00 0.00 C ATOM 566 NH1 ARG A 98 3.758 -11.543 -6.157 1.00 0.00 N ATOM 567 NH2 ARG A 98 2.324 -12.786 -4.932 1.00 0.00 N ATOM 0 H ARG A 98 3.668 -6.907 -5.492 1.00 0.00 H new ATOM 0 HA ARG A 98 4.044 -8.268 -7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.796 -6.794 -6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.593 -7.271 -8.270 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.731 -9.066 -6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.170 -9.646 -7.647 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.549 -9.174 -5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 98 2.181 -8.439 -4.835 1.00 0.00 H new ATOM 0 HE ARG A 98 1.215 -10.628 -4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.059 -10.636 -6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.276 -12.386 -6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.503 -12.853 -4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.844 -13.628 -5.182 1.00 0.00 H new ATOM 581 N PHE A 99 3.845 -4.986 -8.094 1.00 0.00 N ATOM 582 CA PHE A 99 4.088 -3.818 -8.987 1.00 0.00 C ATOM 583 C PHE A 99 5.572 -3.452 -8.919 1.00 0.00 C ATOM 584 O PHE A 99 5.973 -2.350 -9.240 1.00 0.00 O ATOM 585 CB PHE A 99 3.226 -2.639 -8.532 1.00 0.00 C ATOM 586 CG PHE A 99 1.809 -3.118 -8.273 1.00 0.00 C ATOM 587 CD1 PHE A 99 1.097 -3.791 -9.278 1.00 0.00 C ATOM 588 CD2 PHE A 99 1.205 -2.893 -7.027 1.00 0.00 C ATOM 589 CE1 PHE A 99 -0.207 -4.236 -9.036 1.00 0.00 C ATOM 590 CE2 PHE A 99 -0.101 -3.339 -6.788 1.00 0.00 C ATOM 591 CZ PHE A 99 -0.807 -4.010 -7.793 1.00 0.00 C ATOM 0 H PHE A 99 3.637 -4.750 -7.124 1.00 0.00 H new ATOM 0 HA PHE A 99 3.822 -4.065 -10.015 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.643 -2.198 -7.627 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.224 -1.860 -9.295 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.557 -3.966 -10.240 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.748 -2.375 -6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.752 -4.755 -9.811 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.563 -3.165 -5.828 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.814 -4.353 -7.609 1.00 0.00 H new ATOM 601 N ASN A 100 6.382 -4.381 -8.497 1.00 0.00 N ATOM 602 CA ASN A 100 7.846 -4.124 -8.395 1.00 0.00 C ATOM 603 C ASN A 100 8.411 -3.818 -9.783 1.00 0.00 C ATOM 604 O ASN A 100 9.255 -2.956 -9.947 1.00 0.00 O ATOM 605 CB ASN A 100 8.528 -5.374 -7.840 1.00 0.00 C ATOM 606 CG ASN A 100 10.038 -5.148 -7.737 1.00 0.00 C ATOM 607 OD1 ASN A 100 10.483 -4.059 -7.432 1.00 0.00 O ATOM 608 ND2 ASN A 100 10.849 -6.143 -7.978 1.00 0.00 N ATOM 0 H ASN A 100 6.090 -5.317 -8.215 1.00 0.00 H new ATOM 0 HA ASN A 100 8.026 -3.274 -7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 100 8.121 -5.614 -6.858 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.323 -6.227 -8.487 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.858 -6.007 -7.910 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.474 -7.056 -8.234 1.00 0.00 H new ATOM 615 N THR A 101 7.960 -4.526 -10.782 1.00 0.00 N ATOM 616 CA THR A 101 8.473 -4.288 -12.162 1.00 0.00 C ATOM 617 C THR A 101 7.568 -3.290 -12.879 1.00 0.00 C ATOM 618 O THR A 101 7.935 -2.736 -13.897 1.00 0.00 O ATOM 619 CB THR A 101 8.462 -5.607 -12.935 1.00 0.00 C ATOM 620 OG1 THR A 101 7.116 -5.978 -13.207 1.00 0.00 O ATOM 621 CG2 THR A 101 9.133 -6.692 -12.097 1.00 0.00 C ATOM 0 H THR A 101 7.257 -5.261 -10.702 1.00 0.00 H new ATOM 0 HA THR A 101 9.487 -3.892 -12.108 1.00 0.00 H new ATOM 0 HB THR A 101 9.005 -5.489 -13.873 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.104 -6.822 -13.704 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.126 -7.633 -12.647 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.163 -6.403 -11.885 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.590 -6.815 -11.160 1.00 0.00 H new ATOM 629 N LYS A 102 6.385 -3.060 -12.361 1.00 0.00 N ATOM 630 CA LYS A 102 5.446 -2.097 -13.021 1.00 0.00 C ATOM 631 C LYS A 102 5.393 -0.783 -12.215 1.00 0.00 C ATOM 632 O LYS A 102 5.357 -0.808 -11.002 1.00 0.00 O ATOM 633 CB LYS A 102 4.050 -2.710 -13.083 1.00 0.00 C ATOM 634 CG LYS A 102 4.162 -4.168 -13.527 1.00 0.00 C ATOM 635 CD LYS A 102 2.764 -4.749 -13.737 1.00 0.00 C ATOM 636 CE LYS A 102 2.854 -6.274 -13.826 1.00 0.00 C ATOM 637 NZ LYS A 102 1.492 -6.843 -14.027 1.00 0.00 N ATOM 0 H LYS A 102 6.029 -3.497 -11.511 1.00 0.00 H new ATOM 0 HA LYS A 102 5.799 -1.886 -14.031 1.00 0.00 H new ATOM 0 HB2 LYS A 102 3.570 -2.650 -12.106 1.00 0.00 H new ATOM 0 HB3 LYS A 102 3.425 -2.152 -13.780 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.737 -4.234 -14.451 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.698 -4.747 -12.776 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.111 -4.460 -12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.324 -4.346 -14.649 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.505 -6.563 -14.651 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.297 -6.676 -12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.554 -7.879 -14.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.884 -6.579 -13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.086 -6.469 -14.908 1.00 0.00 H new ATOM 651 N PRO A 103 5.380 0.356 -12.875 1.00 0.00 N ATOM 652 CA PRO A 103 5.320 1.681 -12.190 1.00 0.00 C ATOM 653 C PRO A 103 3.938 1.982 -11.589 1.00 0.00 C ATOM 654 O PRO A 103 2.940 1.381 -11.940 1.00 0.00 O ATOM 655 CB PRO A 103 5.674 2.683 -13.299 1.00 0.00 C ATOM 656 CG PRO A 103 5.250 2.018 -14.570 1.00 0.00 C ATOM 657 CD PRO A 103 5.419 0.512 -14.343 1.00 0.00 C ATOM 0 HA PRO A 103 5.998 1.723 -11.338 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.154 3.630 -13.156 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.741 2.904 -13.306 1.00 0.00 H new ATOM 0 HG2 PRO A 103 4.215 2.262 -14.810 1.00 0.00 H new ATOM 0 HG3 PRO A 103 5.860 2.356 -15.408 1.00 0.00 H new ATOM 0 HD2 PRO A 103 4.622 -0.054 -14.824 1.00 0.00 H new ATOM 0 HD3 PRO A 103 6.361 0.151 -14.756 1.00 0.00 H new ATOM 665 N ILE A 104 3.890 2.910 -10.676 1.00 0.00 N ATOM 666 CA ILE A 104 2.599 3.280 -10.029 1.00 0.00 C ATOM 667 C ILE A 104 1.633 3.883 -11.062 1.00 0.00 C ATOM 668 O ILE A 104 0.451 3.594 -11.064 1.00 0.00 O ATOM 669 CB ILE A 104 2.879 4.312 -8.934 1.00 0.00 C ATOM 670 CG1 ILE A 104 3.651 3.648 -7.789 1.00 0.00 C ATOM 671 CG2 ILE A 104 1.561 4.880 -8.405 1.00 0.00 C ATOM 672 CD1 ILE A 104 4.169 4.721 -6.826 1.00 0.00 C ATOM 0 H ILE A 104 4.700 3.435 -10.346 1.00 0.00 H new ATOM 0 HA ILE A 104 2.140 2.388 -9.603 1.00 0.00 H new ATOM 0 HB ILE A 104 3.475 5.124 -9.350 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.004 2.950 -7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.485 3.069 -8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.768 5.614 -7.626 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.018 5.359 -9.220 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.957 4.073 -7.992 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.718 4.246 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.831 5.401 -7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.327 5.280 -6.418 1.00 0.00 H new ATOM 684 N GLN A 105 2.123 4.740 -11.911 1.00 0.00 N ATOM 685 CA GLN A 105 1.238 5.394 -12.922 1.00 0.00 C ATOM 686 C GLN A 105 0.535 4.339 -13.789 1.00 0.00 C ATOM 687 O GLN A 105 -0.445 4.625 -14.451 1.00 0.00 O ATOM 688 CB GLN A 105 2.089 6.312 -13.808 1.00 0.00 C ATOM 689 CG GLN A 105 2.928 5.466 -14.771 1.00 0.00 C ATOM 690 CD GLN A 105 4.049 6.315 -15.372 1.00 0.00 C ATOM 691 OE1 GLN A 105 4.462 7.300 -14.790 1.00 0.00 O ATOM 692 NE2 GLN A 105 4.564 5.974 -16.523 1.00 0.00 N ATOM 0 H GLN A 105 3.103 5.019 -11.951 1.00 0.00 H new ATOM 0 HA GLN A 105 0.475 5.976 -12.406 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.446 6.990 -14.370 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.740 6.930 -13.189 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.351 4.611 -14.243 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.295 5.069 -15.565 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.218 5.148 -17.012 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.312 6.534 -16.933 1.00 0.00 H new ATOM 701 N THR A 106 1.029 3.132 -13.805 1.00 0.00 N ATOM 702 CA THR A 106 0.391 2.070 -14.644 1.00 0.00 C ATOM 703 C THR A 106 -0.595 1.262 -13.793 1.00 0.00 C ATOM 704 O THR A 106 -1.205 0.320 -14.262 1.00 0.00 O ATOM 705 CB THR A 106 1.479 1.147 -15.205 1.00 0.00 C ATOM 706 OG1 THR A 106 2.427 0.864 -14.186 1.00 0.00 O ATOM 707 CG2 THR A 106 2.179 1.830 -16.385 1.00 0.00 C ATOM 0 H THR A 106 1.847 2.832 -13.275 1.00 0.00 H new ATOM 0 HA THR A 106 -0.151 2.532 -15.469 1.00 0.00 H new ATOM 0 HB THR A 106 1.025 0.218 -15.548 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.002 0.958 -13.308 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.952 1.171 -16.781 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.450 2.044 -17.166 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.634 2.761 -16.048 1.00 0.00 H new ATOM 715 N ILE A 107 -0.768 1.627 -12.548 1.00 0.00 N ATOM 716 CA ILE A 107 -1.727 0.876 -11.685 1.00 0.00 C ATOM 717 C ILE A 107 -3.153 1.368 -11.952 1.00 0.00 C ATOM 718 O ILE A 107 -3.445 2.547 -11.869 1.00 0.00 O ATOM 719 CB ILE A 107 -1.368 1.082 -10.210 1.00 0.00 C ATOM 720 CG1 ILE A 107 -0.013 0.421 -9.931 1.00 0.00 C ATOM 721 CG2 ILE A 107 -2.446 0.451 -9.318 1.00 0.00 C ATOM 722 CD1 ILE A 107 0.447 0.750 -8.509 1.00 0.00 C ATOM 0 H ILE A 107 -0.291 2.406 -12.095 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.667 -0.187 -11.918 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.310 2.148 -9.992 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.093 -0.659 -10.055 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.727 0.771 -10.651 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.185 0.601 -8.270 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.408 0.920 -9.523 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.511 -0.617 -9.526 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.410 0.276 -8.319 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.546 1.830 -8.399 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.287 0.378 -7.794 1.00 0.00 H new ATOM 734 N LYS A 108 -4.043 0.467 -12.285 1.00 0.00 N ATOM 735 CA LYS A 108 -5.453 0.859 -12.579 1.00 0.00 C ATOM 736 C LYS A 108 -6.345 0.597 -11.361 1.00 0.00 C ATOM 737 O LYS A 108 -6.003 -0.159 -10.472 1.00 0.00 O ATOM 738 CB LYS A 108 -5.958 0.028 -13.758 1.00 0.00 C ATOM 739 CG LYS A 108 -5.208 0.439 -15.028 1.00 0.00 C ATOM 740 CD LYS A 108 -5.575 -0.507 -16.177 1.00 0.00 C ATOM 741 CE LYS A 108 -7.054 -0.344 -16.540 1.00 0.00 C ATOM 742 NZ LYS A 108 -7.295 -0.897 -17.902 1.00 0.00 N ATOM 0 H LYS A 108 -3.850 -0.531 -12.366 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.488 1.922 -12.819 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.807 -1.033 -13.560 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -7.029 0.178 -13.890 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -5.461 1.465 -15.295 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.133 0.411 -14.851 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.953 -0.294 -17.047 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -5.375 -1.539 -15.887 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -7.678 -0.861 -15.810 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.333 0.709 -16.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.299 -0.786 -18.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -6.710 -0.385 -18.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.044 -1.906 -17.916 1.00 0.00 H new ATOM 756 N LYS A 109 -7.489 1.223 -11.328 1.00 0.00 N ATOM 757 CA LYS A 109 -8.432 1.032 -10.188 1.00 0.00 C ATOM 758 C LYS A 109 -8.864 -0.439 -10.120 1.00 0.00 C ATOM 759 O LYS A 109 -8.989 -1.014 -9.056 1.00 0.00 O ATOM 760 CB LYS A 109 -9.665 1.913 -10.408 1.00 0.00 C ATOM 761 CG LYS A 109 -9.276 3.390 -10.293 1.00 0.00 C ATOM 762 CD LYS A 109 -10.513 4.270 -10.517 1.00 0.00 C ATOM 763 CE LYS A 109 -10.124 5.745 -10.392 1.00 0.00 C ATOM 764 NZ LYS A 109 -11.325 6.602 -10.621 1.00 0.00 N ATOM 0 H LYS A 109 -7.815 1.866 -12.050 1.00 0.00 H new ATOM 0 HA LYS A 109 -7.941 1.308 -9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -10.093 1.716 -11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.432 1.671 -9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -8.850 3.588 -9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.508 3.632 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.935 4.077 -11.503 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.284 4.024 -9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -9.710 5.939 -9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -9.347 5.989 -11.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.058 7.604 -10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.702 6.424 -11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.053 6.376 -9.913 1.00 0.00 H new ATOM 778 N HIS A 110 -9.097 -1.047 -11.249 1.00 0.00 N ATOM 779 CA HIS A 110 -9.522 -2.477 -11.256 1.00 0.00 C ATOM 780 C HIS A 110 -8.435 -3.332 -10.594 1.00 0.00 C ATOM 781 O HIS A 110 -8.709 -4.176 -9.761 1.00 0.00 O ATOM 782 CB HIS A 110 -9.713 -2.931 -12.703 1.00 0.00 C ATOM 783 CG HIS A 110 -10.844 -2.161 -13.331 1.00 0.00 C ATOM 784 ND1 HIS A 110 -12.169 -2.398 -13.006 1.00 0.00 N ATOM 785 CD2 HIS A 110 -10.861 -1.157 -14.269 1.00 0.00 C ATOM 786 CE1 HIS A 110 -12.923 -1.556 -13.735 1.00 0.00 C ATOM 787 NE2 HIS A 110 -12.175 -0.777 -14.522 1.00 0.00 N ATOM 0 H HIS A 110 -9.012 -0.616 -12.170 1.00 0.00 H new ATOM 0 HA HIS A 110 -10.457 -2.589 -10.707 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -8.795 -2.773 -13.268 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -9.926 -3.999 -12.734 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.988 -0.728 -14.738 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -14.001 -1.515 -13.690 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -12.498 -0.058 -15.169 1.00 0.00 H new ATOM 795 N ASP A 111 -7.203 -3.110 -10.959 1.00 0.00 N ATOM 796 CA ASP A 111 -6.082 -3.888 -10.355 1.00 0.00 C ATOM 797 C ASP A 111 -5.976 -3.545 -8.866 1.00 0.00 C ATOM 798 O ASP A 111 -5.790 -4.404 -8.025 1.00 0.00 O ATOM 799 CB ASP A 111 -4.780 -3.505 -11.059 1.00 0.00 C ATOM 800 CG ASP A 111 -3.606 -4.247 -10.422 1.00 0.00 C ATOM 801 OD1 ASP A 111 -3.508 -5.447 -10.620 1.00 0.00 O ATOM 802 OD2 ASP A 111 -2.821 -3.602 -9.746 1.00 0.00 O ATOM 0 H ASP A 111 -6.921 -2.419 -11.654 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.264 -4.957 -10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.844 -3.750 -12.119 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.622 -2.429 -10.990 1.00 0.00 H new ATOM 807 N TYR A 112 -6.098 -2.289 -8.544 1.00 0.00 N ATOM 808 CA TYR A 112 -6.012 -1.861 -7.118 1.00 0.00 C ATOM 809 C TYR A 112 -7.154 -2.500 -6.326 1.00 0.00 C ATOM 810 O TYR A 112 -6.969 -2.996 -5.231 1.00 0.00 O ATOM 811 CB TYR A 112 -6.133 -0.339 -7.042 1.00 0.00 C ATOM 812 CG TYR A 112 -6.141 0.098 -5.595 1.00 0.00 C ATOM 813 CD1 TYR A 112 -4.959 0.051 -4.848 1.00 0.00 C ATOM 814 CD2 TYR A 112 -7.327 0.552 -5.003 1.00 0.00 C ATOM 815 CE1 TYR A 112 -4.962 0.456 -3.507 1.00 0.00 C ATOM 816 CE2 TYR A 112 -7.329 0.956 -3.663 1.00 0.00 C ATOM 817 CZ TYR A 112 -6.148 0.909 -2.915 1.00 0.00 C ATOM 818 OH TYR A 112 -6.150 1.307 -1.594 1.00 0.00 O ATOM 0 H TYR A 112 -6.255 -1.534 -9.211 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.057 -2.176 -6.698 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.301 0.129 -7.569 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.048 -0.012 -7.536 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.045 -0.297 -5.305 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -8.239 0.590 -5.580 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -4.050 0.419 -2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -8.243 1.304 -3.206 1.00 0.00 H new ATOM 0 HH TYR A 112 -6.270 2.278 -1.545 1.00 0.00 H new ATOM 828 N GLN A 113 -8.335 -2.480 -6.873 1.00 0.00 N ATOM 829 CA GLN A 113 -9.499 -3.075 -6.163 1.00 0.00 C ATOM 830 C GLN A 113 -9.246 -4.570 -5.942 1.00 0.00 C ATOM 831 O GLN A 113 -9.583 -5.124 -4.913 1.00 0.00 O ATOM 832 CB GLN A 113 -10.752 -2.886 -7.020 1.00 0.00 C ATOM 833 CG GLN A 113 -11.989 -3.380 -6.263 1.00 0.00 C ATOM 834 CD GLN A 113 -12.213 -2.504 -5.032 1.00 0.00 C ATOM 835 OE1 GLN A 113 -12.055 -1.300 -5.090 1.00 0.00 O ATOM 836 NE2 GLN A 113 -12.574 -3.060 -3.909 1.00 0.00 N ATOM 0 H GLN A 113 -8.545 -2.075 -7.785 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.638 -2.587 -5.198 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -10.870 -1.833 -7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.647 -3.433 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.864 -3.345 -6.912 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -11.855 -4.420 -5.964 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -12.707 -4.070 -3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.724 -2.485 -3.080 1.00 0.00 H new ATOM 845 N ARG A 114 -8.656 -5.224 -6.903 1.00 0.00 N ATOM 846 CA ARG A 114 -8.376 -6.682 -6.753 1.00 0.00 C ATOM 847 C ARG A 114 -7.424 -6.896 -5.571 1.00 0.00 C ATOM 848 O ARG A 114 -7.591 -7.802 -4.776 1.00 0.00 O ATOM 849 CB ARG A 114 -7.724 -7.208 -8.036 1.00 0.00 C ATOM 850 CG ARG A 114 -7.517 -8.723 -7.925 1.00 0.00 C ATOM 851 CD ARG A 114 -6.874 -9.263 -9.209 1.00 0.00 C ATOM 852 NE ARG A 114 -5.490 -8.723 -9.341 1.00 0.00 N ATOM 853 CZ ARG A 114 -4.771 -8.994 -10.400 1.00 0.00 C ATOM 854 NH1 ARG A 114 -5.252 -9.753 -11.346 1.00 0.00 N ATOM 855 NH2 ARG A 114 -3.564 -8.510 -10.506 1.00 0.00 N ATOM 0 H ARG A 114 -8.355 -4.813 -7.787 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.308 -7.218 -6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -8.353 -6.979 -8.896 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -6.768 -6.711 -8.200 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -6.882 -8.949 -7.068 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -8.473 -9.217 -7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -6.849 -10.352 -9.185 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -7.471 -8.977 -10.075 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.101 -8.139 -8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -6.193 -10.138 -11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.687 -9.961 -12.170 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.183 -7.922 -9.764 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -3.001 -8.720 -11.330 1.00 0.00 H new ATOM 869 N PHE A 115 -6.425 -6.068 -5.458 1.00 0.00 N ATOM 870 CA PHE A 115 -5.449 -6.205 -4.338 1.00 0.00 C ATOM 871 C PHE A 115 -6.170 -6.040 -2.997 1.00 0.00 C ATOM 872 O PHE A 115 -5.925 -6.768 -2.056 1.00 0.00 O ATOM 873 CB PHE A 115 -4.372 -5.130 -4.468 1.00 0.00 C ATOM 874 CG PHE A 115 -3.399 -5.244 -3.316 1.00 0.00 C ATOM 875 CD1 PHE A 115 -2.430 -6.254 -3.316 1.00 0.00 C ATOM 876 CD2 PHE A 115 -3.468 -4.339 -2.248 1.00 0.00 C ATOM 877 CE1 PHE A 115 -1.529 -6.359 -2.249 1.00 0.00 C ATOM 878 CE2 PHE A 115 -2.568 -4.446 -1.181 1.00 0.00 C ATOM 879 CZ PHE A 115 -1.599 -5.456 -1.181 1.00 0.00 C ATOM 0 H PHE A 115 -6.240 -5.295 -6.098 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.990 -7.193 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.844 -5.242 -5.415 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -4.830 -4.141 -4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.377 -6.952 -4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.215 -3.559 -2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.780 -7.137 -2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -2.621 -3.749 -0.358 1.00 0.00 H new ATOM 0 HZ PHE A 115 -0.905 -5.539 -0.357 1.00 0.00 H new ATOM 889 N VAL A 116 -7.044 -5.078 -2.904 1.00 0.00 N ATOM 890 CA VAL A 116 -7.774 -4.850 -1.624 1.00 0.00 C ATOM 891 C VAL A 116 -8.569 -6.109 -1.257 1.00 0.00 C ATOM 892 O VAL A 116 -8.568 -6.552 -0.123 1.00 0.00 O ATOM 893 CB VAL A 116 -8.733 -3.673 -1.799 1.00 0.00 C ATOM 894 CG1 VAL A 116 -9.596 -3.518 -0.544 1.00 0.00 C ATOM 895 CG2 VAL A 116 -7.927 -2.391 -2.021 1.00 0.00 C ATOM 0 H VAL A 116 -7.286 -4.438 -3.660 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.062 -4.629 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.377 -3.857 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -10.278 -2.678 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -10.170 -4.430 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -8.955 -3.336 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -8.609 -1.550 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -7.284 -2.212 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -7.314 -2.497 -2.916 1.00 0.00 H new ATOM 905 N ASP A 117 -9.251 -6.682 -2.209 1.00 0.00 N ATOM 906 CA ASP A 117 -10.049 -7.912 -1.929 1.00 0.00 C ATOM 907 C ASP A 117 -9.093 -9.065 -1.583 1.00 0.00 C ATOM 908 O ASP A 117 -9.393 -9.917 -0.768 1.00 0.00 O ATOM 909 CB ASP A 117 -10.865 -8.274 -3.178 1.00 0.00 C ATOM 910 CG ASP A 117 -12.171 -7.469 -3.218 1.00 0.00 C ATOM 911 OD1 ASP A 117 -12.447 -6.761 -2.263 1.00 0.00 O ATOM 912 OD2 ASP A 117 -12.870 -7.569 -4.214 1.00 0.00 O ATOM 0 H ASP A 117 -9.291 -6.351 -3.173 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.724 -7.737 -1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -10.278 -8.072 -4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.088 -9.341 -3.177 1.00 0.00 H new ATOM 917 N ASP A 118 -7.951 -9.098 -2.210 1.00 0.00 N ATOM 918 CA ASP A 118 -6.975 -10.194 -1.936 1.00 0.00 C ATOM 919 C ASP A 118 -6.560 -10.165 -0.462 1.00 0.00 C ATOM 920 O ASP A 118 -6.558 -11.176 0.215 1.00 0.00 O ATOM 921 CB ASP A 118 -5.739 -9.986 -2.809 1.00 0.00 C ATOM 922 CG ASP A 118 -4.721 -11.095 -2.538 1.00 0.00 C ATOM 923 OD1 ASP A 118 -4.953 -11.879 -1.633 1.00 0.00 O ATOM 924 OD2 ASP A 118 -3.723 -11.138 -3.238 1.00 0.00 O ATOM 0 H ASP A 118 -7.649 -8.413 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 118 -7.436 -11.156 -2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -6.021 -9.988 -3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -5.295 -9.013 -2.600 1.00 0.00 H new ATOM 929 N ILE A 119 -6.202 -9.015 0.037 1.00 0.00 N ATOM 930 CA ILE A 119 -5.782 -8.918 1.465 1.00 0.00 C ATOM 931 C ILE A 119 -7.005 -9.048 2.378 1.00 0.00 C ATOM 932 O ILE A 119 -6.913 -9.512 3.497 1.00 0.00 O ATOM 933 CB ILE A 119 -5.096 -7.567 1.703 1.00 0.00 C ATOM 934 CG1 ILE A 119 -6.041 -6.425 1.311 1.00 0.00 C ATOM 935 CG2 ILE A 119 -3.827 -7.485 0.853 1.00 0.00 C ATOM 936 CD1 ILE A 119 -5.425 -5.081 1.711 1.00 0.00 C ATOM 0 H ILE A 119 -6.182 -8.137 -0.482 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.084 -9.724 1.692 1.00 0.00 H new ATOM 0 HB ILE A 119 -4.840 -7.477 2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.225 -6.446 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.005 -6.554 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.338 -6.525 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.149 -8.291 1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -4.088 -7.580 -0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.101 -4.273 1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -5.264 -5.061 2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -4.471 -4.951 1.199 1.00 0.00 H new ATOM 948 N SER A 120 -8.149 -8.633 1.909 1.00 0.00 N ATOM 949 CA SER A 120 -9.376 -8.723 2.750 1.00 0.00 C ATOM 950 C SER A 120 -9.647 -10.189 3.092 1.00 0.00 C ATOM 951 O SER A 120 -10.152 -10.512 4.151 1.00 0.00 O ATOM 952 CB SER A 120 -10.566 -8.152 1.980 1.00 0.00 C ATOM 953 OG SER A 120 -10.854 -8.996 0.873 1.00 0.00 O ATOM 0 H SER A 120 -8.288 -8.235 0.980 1.00 0.00 H new ATOM 0 HA SER A 120 -9.232 -8.153 3.668 1.00 0.00 H new ATOM 0 HB2 SER A 120 -11.436 -8.079 2.633 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.341 -7.143 1.635 1.00 0.00 H new ATOM 0 HG SER A 120 -10.026 -9.413 0.556 1.00 0.00 H new ATOM 959 N ALA A 121 -9.317 -11.076 2.199 1.00 0.00 N ATOM 960 CA ALA A 121 -9.552 -12.521 2.458 1.00 0.00 C ATOM 961 C ALA A 121 -8.431 -13.070 3.345 1.00 0.00 C ATOM 962 O ALA A 121 -8.500 -14.183 3.832 1.00 0.00 O ATOM 963 CB ALA A 121 -9.561 -13.272 1.128 1.00 0.00 C ATOM 0 H ALA A 121 -8.893 -10.861 1.297 1.00 0.00 H new ATOM 0 HA ALA A 121 -10.509 -12.653 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.733 -14.333 1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -10.356 -12.879 0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.601 -13.141 0.629 1.00 0.00 H new ATOM 969 N GLN A 122 -7.398 -12.292 3.555 1.00 0.00 N ATOM 970 CA GLN A 122 -6.257 -12.745 4.411 1.00 0.00 C ATOM 971 C GLN A 122 -6.255 -11.951 5.717 1.00 0.00 C ATOM 972 O GLN A 122 -5.728 -12.395 6.720 1.00 0.00 O ATOM 973 CB GLN A 122 -4.942 -12.501 3.669 1.00 0.00 C ATOM 974 CG GLN A 122 -4.861 -13.431 2.456 1.00 0.00 C ATOM 975 CD GLN A 122 -3.550 -13.187 1.705 1.00 0.00 C ATOM 976 OE1 GLN A 122 -2.495 -13.120 2.306 1.00 0.00 O ATOM 977 NE2 GLN A 122 -3.573 -13.058 0.407 1.00 0.00 N ATOM 0 H GLN A 122 -7.295 -11.354 3.167 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.364 -13.807 4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.881 -11.461 3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.098 -12.680 4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.918 -14.471 2.778 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.709 -13.255 1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -4.459 -13.114 -0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -2.705 -12.901 -0.105 1.00 0.00 H new ATOM 986 N TYR A 123 -6.835 -10.774 5.710 1.00 0.00 N ATOM 987 CA TYR A 123 -6.867 -9.930 6.949 1.00 0.00 C ATOM 988 C TYR A 123 -8.293 -9.459 7.233 1.00 0.00 C ATOM 989 O TYR A 123 -9.148 -9.447 6.368 1.00 0.00 O ATOM 990 CB TYR A 123 -5.961 -8.713 6.762 1.00 0.00 C ATOM 991 CG TYR A 123 -4.534 -9.173 6.587 1.00 0.00 C ATOM 992 CD1 TYR A 123 -4.049 -9.478 5.311 1.00 0.00 C ATOM 993 CD2 TYR A 123 -3.697 -9.293 7.703 1.00 0.00 C ATOM 994 CE1 TYR A 123 -2.726 -9.904 5.149 1.00 0.00 C ATOM 995 CE2 TYR A 123 -2.374 -9.718 7.540 1.00 0.00 C ATOM 996 CZ TYR A 123 -1.888 -10.024 6.264 1.00 0.00 C ATOM 997 OH TYR A 123 -0.582 -10.443 6.105 1.00 0.00 O ATOM 0 H TYR A 123 -7.290 -10.359 4.896 1.00 0.00 H new ATOM 0 HA TYR A 123 -6.515 -10.527 7.790 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -6.279 -8.139 5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -6.038 -8.052 7.625 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -4.696 -9.385 4.451 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -4.072 -9.058 8.688 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -2.351 -10.140 4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -1.727 -9.810 8.400 1.00 0.00 H new ATOM 0 HH TYR A 123 -0.139 -10.471 6.979 1.00 0.00 H new ATOM 1007 N SER A 124 -8.551 -9.080 8.456 1.00 0.00 N ATOM 1008 CA SER A 124 -9.913 -8.615 8.837 1.00 0.00 C ATOM 1009 C SER A 124 -10.256 -7.308 8.121 1.00 0.00 C ATOM 1010 O SER A 124 -9.403 -6.627 7.588 1.00 0.00 O ATOM 1011 CB SER A 124 -9.962 -8.388 10.347 1.00 0.00 C ATOM 1012 OG SER A 124 -11.175 -7.729 10.686 1.00 0.00 O ATOM 0 H SER A 124 -7.868 -9.073 9.214 1.00 0.00 H new ATOM 0 HA SER A 124 -10.638 -9.375 8.546 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.894 -9.341 10.872 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.109 -7.788 10.664 1.00 0.00 H new ATOM 0 HG SER A 124 -11.209 -7.584 11.655 1.00 0.00 H new ATOM 1018 N LYS A 125 -11.510 -6.962 8.110 1.00 0.00 N ATOM 1019 CA LYS A 125 -11.939 -5.706 7.436 1.00 0.00 C ATOM 1020 C LYS A 125 -11.302 -4.497 8.127 1.00 0.00 C ATOM 1021 O LYS A 125 -11.006 -3.496 7.502 1.00 0.00 O ATOM 1022 CB LYS A 125 -13.463 -5.593 7.515 1.00 0.00 C ATOM 1023 CG LYS A 125 -13.959 -4.372 6.729 1.00 0.00 C ATOM 1024 CD LYS A 125 -13.668 -4.550 5.234 1.00 0.00 C ATOM 1025 CE LYS A 125 -14.545 -3.603 4.420 1.00 0.00 C ATOM 1026 NZ LYS A 125 -14.185 -3.726 2.980 1.00 0.00 N ATOM 0 H LYS A 125 -12.263 -7.498 8.542 1.00 0.00 H new ATOM 0 HA LYS A 125 -11.621 -5.727 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -13.921 -6.498 7.116 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -13.773 -5.511 8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -15.030 -4.240 6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -13.470 -3.470 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -12.616 -4.349 5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -13.858 -5.582 4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -15.598 -3.845 4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -14.404 -2.576 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -14.779 -3.083 2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -13.184 -3.476 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -14.341 -4.705 2.666 1.00 0.00 H new ATOM 1040 N ASN A 126 -11.105 -4.577 9.410 1.00 0.00 N ATOM 1041 CA ASN A 126 -10.502 -3.430 10.148 1.00 0.00 C ATOM 1042 C ASN A 126 -9.098 -3.141 9.604 1.00 0.00 C ATOM 1043 O ASN A 126 -8.714 -2.002 9.414 1.00 0.00 O ATOM 1044 CB ASN A 126 -10.407 -3.800 11.628 1.00 0.00 C ATOM 1045 CG ASN A 126 -9.700 -2.684 12.396 1.00 0.00 C ATOM 1046 OD1 ASN A 126 -9.259 -1.713 11.814 1.00 0.00 O ATOM 1047 ND2 ASN A 126 -9.566 -2.784 13.692 1.00 0.00 N ATOM 0 H ASN A 126 -11.335 -5.388 9.984 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.121 -2.542 10.020 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.405 -3.960 12.037 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -9.861 -4.736 11.744 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -9.092 -2.047 14.214 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -9.936 -3.599 14.182 1.00 0.00 H new ATOM 1054 N TYR A 127 -8.334 -4.166 9.354 1.00 0.00 N ATOM 1055 CA TYR A 127 -6.956 -3.969 8.817 1.00 0.00 C ATOM 1056 C TYR A 127 -7.027 -3.483 7.365 1.00 0.00 C ATOM 1057 O TYR A 127 -6.181 -2.742 6.902 1.00 0.00 O ATOM 1058 CB TYR A 127 -6.199 -5.298 8.880 1.00 0.00 C ATOM 1059 CG TYR A 127 -5.729 -5.554 10.295 1.00 0.00 C ATOM 1060 CD1 TYR A 127 -6.656 -5.886 11.290 1.00 0.00 C ATOM 1061 CD2 TYR A 127 -4.368 -5.459 10.611 1.00 0.00 C ATOM 1062 CE1 TYR A 127 -6.223 -6.122 12.601 1.00 0.00 C ATOM 1063 CE2 TYR A 127 -3.934 -5.697 11.920 1.00 0.00 C ATOM 1064 CZ TYR A 127 -4.862 -6.027 12.916 1.00 0.00 C ATOM 1065 OH TYR A 127 -4.435 -6.258 14.206 1.00 0.00 O ATOM 0 H TYR A 127 -8.605 -5.139 9.499 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.435 -3.221 9.415 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -6.845 -6.111 8.549 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.345 -5.273 8.202 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -7.706 -5.960 11.047 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -3.653 -5.202 9.844 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -6.939 -6.377 13.369 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.884 -5.626 12.162 1.00 0.00 H new ATOM 0 HH TYR A 127 -3.462 -6.152 14.252 1.00 0.00 H new ATOM 1075 N VAL A 128 -8.024 -3.907 6.642 1.00 0.00 N ATOM 1076 CA VAL A 128 -8.149 -3.485 5.217 1.00 0.00 C ATOM 1077 C VAL A 128 -8.291 -1.962 5.145 1.00 0.00 C ATOM 1078 O VAL A 128 -7.680 -1.307 4.321 1.00 0.00 O ATOM 1079 CB VAL A 128 -9.389 -4.140 4.605 1.00 0.00 C ATOM 1080 CG1 VAL A 128 -9.644 -3.570 3.207 1.00 0.00 C ATOM 1081 CG2 VAL A 128 -9.179 -5.652 4.501 1.00 0.00 C ATOM 0 H VAL A 128 -8.760 -4.529 6.976 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.260 -3.792 4.666 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.248 -3.933 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -10.528 -4.041 2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -9.804 -2.494 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -8.782 -3.769 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.065 -6.113 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.315 -5.857 3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.007 -6.065 5.495 1.00 0.00 H new ATOM 1091 N ASP A 129 -9.101 -1.397 5.993 1.00 0.00 N ATOM 1092 CA ASP A 129 -9.294 0.082 5.970 1.00 0.00 C ATOM 1093 C ASP A 129 -7.960 0.787 6.249 1.00 0.00 C ATOM 1094 O ASP A 129 -7.599 1.741 5.586 1.00 0.00 O ATOM 1095 CB ASP A 129 -10.302 0.466 7.054 1.00 0.00 C ATOM 1096 CG ASP A 129 -11.704 0.012 6.642 1.00 0.00 C ATOM 1097 OD1 ASP A 129 -11.858 -0.422 5.512 1.00 0.00 O ATOM 1098 OD2 ASP A 129 -12.601 0.106 7.465 1.00 0.00 O ATOM 0 H ASP A 129 -9.639 -1.894 6.703 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.661 0.386 4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.024 0.005 8.002 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.290 1.545 7.209 1.00 0.00 H new ATOM 1103 N SER A 130 -7.231 0.329 7.229 1.00 0.00 N ATOM 1104 CA SER A 130 -5.923 0.972 7.555 1.00 0.00 C ATOM 1105 C SER A 130 -4.940 0.777 6.391 1.00 0.00 C ATOM 1106 O SER A 130 -4.232 1.686 5.999 1.00 0.00 O ATOM 1107 CB SER A 130 -5.354 0.335 8.823 1.00 0.00 C ATOM 1108 OG SER A 130 -4.364 1.187 9.376 1.00 0.00 O ATOM 0 H SER A 130 -7.483 -0.463 7.820 1.00 0.00 H new ATOM 0 HA SER A 130 -6.072 2.040 7.716 1.00 0.00 H new ATOM 0 HB2 SER A 130 -6.151 0.167 9.548 1.00 0.00 H new ATOM 0 HB3 SER A 130 -4.923 -0.639 8.592 1.00 0.00 H new ATOM 0 HG SER A 130 -4.342 1.074 10.349 1.00 0.00 H new ATOM 1114 N ILE A 131 -4.895 -0.406 5.842 1.00 0.00 N ATOM 1115 CA ILE A 131 -3.968 -0.678 4.703 1.00 0.00 C ATOM 1116 C ILE A 131 -4.381 0.173 3.497 1.00 0.00 C ATOM 1117 O ILE A 131 -3.556 0.745 2.809 1.00 0.00 O ATOM 1118 CB ILE A 131 -4.038 -2.162 4.335 1.00 0.00 C ATOM 1119 CG1 ILE A 131 -3.433 -2.995 5.467 1.00 0.00 C ATOM 1120 CG2 ILE A 131 -3.253 -2.414 3.045 1.00 0.00 C ATOM 1121 CD1 ILE A 131 -3.758 -4.476 5.248 1.00 0.00 C ATOM 0 H ILE A 131 -5.463 -1.201 6.134 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.948 -0.425 4.991 1.00 0.00 H new ATOM 0 HB ILE A 131 -5.079 -2.447 4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.353 -2.851 5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -3.829 -2.664 6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.306 -3.472 2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -3.682 -1.822 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.211 -2.128 3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.326 -5.067 6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -4.839 -4.613 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.340 -4.803 4.296 1.00 0.00 H new ATOM 1133 N VAL A 132 -5.654 0.246 3.237 1.00 0.00 N ATOM 1134 CA VAL A 132 -6.146 1.047 2.080 1.00 0.00 C ATOM 1135 C VAL A 132 -5.741 2.515 2.266 1.00 0.00 C ATOM 1136 O VAL A 132 -5.310 3.178 1.342 1.00 0.00 O ATOM 1137 CB VAL A 132 -7.675 0.933 2.014 1.00 0.00 C ATOM 1138 CG1 VAL A 132 -8.241 1.984 1.047 1.00 0.00 C ATOM 1139 CG2 VAL A 132 -8.068 -0.471 1.530 1.00 0.00 C ATOM 0 H VAL A 132 -6.382 -0.218 3.780 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.710 0.673 1.154 1.00 0.00 H new ATOM 0 HB VAL A 132 -8.086 1.105 3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -9.327 1.895 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -7.971 2.981 1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -7.827 1.823 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -9.154 -0.549 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -7.649 -0.645 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -7.680 -1.217 2.223 1.00 0.00 H new ATOM 1149 N ALA A 133 -5.896 3.027 3.454 1.00 0.00 N ATOM 1150 CA ALA A 133 -5.539 4.451 3.712 1.00 0.00 C ATOM 1151 C ALA A 133 -4.034 4.666 3.507 1.00 0.00 C ATOM 1152 O ALA A 133 -3.605 5.688 3.009 1.00 0.00 O ATOM 1153 CB ALA A 133 -5.907 4.798 5.152 1.00 0.00 C ATOM 0 H ALA A 133 -6.256 2.519 4.262 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.084 5.091 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -5.650 5.838 5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -6.977 4.654 5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -5.357 4.150 5.834 1.00 0.00 H new ATOM 1159 N SER A 134 -3.231 3.716 3.902 1.00 0.00 N ATOM 1160 CA SER A 134 -1.754 3.871 3.741 1.00 0.00 C ATOM 1161 C SER A 134 -1.376 3.840 2.257 1.00 0.00 C ATOM 1162 O SER A 134 -0.820 4.781 1.727 1.00 0.00 O ATOM 1163 CB SER A 134 -1.049 2.724 4.458 1.00 0.00 C ATOM 1164 OG SER A 134 -1.593 1.492 4.005 1.00 0.00 O ATOM 0 H SER A 134 -3.532 2.840 4.329 1.00 0.00 H new ATOM 0 HA SER A 134 -1.449 4.827 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.022 2.758 4.260 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.177 2.818 5.536 1.00 0.00 H new ATOM 0 HG SER A 134 -2.499 1.641 3.661 1.00 0.00 H new ATOM 1170 N THR A 135 -1.672 2.763 1.587 1.00 0.00 N ATOM 1171 CA THR A 135 -1.324 2.658 0.138 1.00 0.00 C ATOM 1172 C THR A 135 -1.955 3.820 -0.634 1.00 0.00 C ATOM 1173 O THR A 135 -1.365 4.367 -1.545 1.00 0.00 O ATOM 1174 CB THR A 135 -1.852 1.331 -0.414 1.00 0.00 C ATOM 1175 OG1 THR A 135 -1.419 1.166 -1.757 1.00 0.00 O ATOM 1176 CG2 THR A 135 -3.377 1.325 -0.362 1.00 0.00 C ATOM 0 H THR A 135 -2.141 1.947 1.979 1.00 0.00 H new ATOM 0 HA THR A 135 -0.241 2.699 0.023 1.00 0.00 H new ATOM 0 HB THR A 135 -1.467 0.510 0.191 1.00 0.00 H new ATOM 0 HG1 THR A 135 -1.498 2.019 -2.233 1.00 0.00 H new ATOM 0 HG21 THR A 135 -3.751 0.380 -0.755 1.00 0.00 H new ATOM 0 HG22 THR A 135 -3.706 1.444 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 135 -3.765 2.147 -0.964 1.00 0.00 H new ATOM 1184 N ASN A 136 -3.154 4.190 -0.284 1.00 0.00 N ATOM 1185 CA ASN A 136 -3.829 5.309 -1.001 1.00 0.00 C ATOM 1186 C ASN A 136 -3.030 6.601 -0.807 1.00 0.00 C ATOM 1187 O ASN A 136 -2.846 7.381 -1.722 1.00 0.00 O ATOM 1188 CB ASN A 136 -5.234 5.492 -0.434 1.00 0.00 C ATOM 1189 CG ASN A 136 -5.950 6.608 -1.193 1.00 0.00 C ATOM 1190 OD1 ASN A 136 -5.767 6.763 -2.386 1.00 0.00 O ATOM 1191 ND2 ASN A 136 -6.766 7.398 -0.551 1.00 0.00 N ATOM 0 H ASN A 136 -3.697 3.766 0.468 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.888 5.078 -2.065 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -5.796 4.562 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -5.180 5.736 0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -7.250 8.145 -1.049 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -6.920 7.269 0.449 1.00 0.00 H new ATOM 1198 N MET A 137 -2.554 6.824 0.384 1.00 0.00 N ATOM 1199 CA MET A 137 -1.758 8.054 0.665 1.00 0.00 C ATOM 1200 C MET A 137 -0.428 7.989 -0.092 1.00 0.00 C ATOM 1201 O MET A 137 0.108 8.994 -0.517 1.00 0.00 O ATOM 1202 CB MET A 137 -1.494 8.150 2.169 1.00 0.00 C ATOM 1203 CG MET A 137 -2.751 8.650 2.890 1.00 0.00 C ATOM 1204 SD MET A 137 -3.082 10.376 2.442 1.00 0.00 S ATOM 1205 CE MET A 137 -1.905 11.159 3.577 1.00 0.00 C ATOM 0 H MET A 137 -2.682 6.203 1.183 1.00 0.00 H new ATOM 0 HA MET A 137 -2.313 8.933 0.337 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.205 7.174 2.559 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.662 8.828 2.358 1.00 0.00 H new ATOM 0 HG2 MET A 137 -3.605 8.027 2.623 1.00 0.00 H new ATOM 0 HG3 MET A 137 -2.619 8.565 3.969 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.085 12.234 3.603 1.00 0.00 H new ATOM 0 HE2 MET A 137 -2.034 10.745 4.577 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.888 10.970 3.234 1.00 0.00 H new ATOM 1215 N ILE A 138 0.117 6.815 -0.244 1.00 0.00 N ATOM 1216 CA ILE A 138 1.421 6.687 -0.957 1.00 0.00 C ATOM 1217 C ILE A 138 1.272 7.164 -2.405 1.00 0.00 C ATOM 1218 O ILE A 138 2.103 7.885 -2.924 1.00 0.00 O ATOM 1219 CB ILE A 138 1.848 5.214 -0.952 1.00 0.00 C ATOM 1220 CG1 ILE A 138 2.204 4.782 0.478 1.00 0.00 C ATOM 1221 CG2 ILE A 138 3.065 5.016 -1.859 1.00 0.00 C ATOM 1222 CD1 ILE A 138 2.405 3.255 0.562 1.00 0.00 C ATOM 0 H ILE A 138 -0.282 5.939 0.093 1.00 0.00 H new ATOM 0 HA ILE A 138 2.172 7.297 -0.454 1.00 0.00 H new ATOM 0 HB ILE A 138 1.022 4.607 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.113 5.290 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 138 1.411 5.086 1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 138 3.360 3.967 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.812 5.311 -2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 138 3.891 5.629 -1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.656 2.977 1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.486 2.750 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 138 3.215 2.957 -0.104 1.00 0.00 H new ATOM 1234 N PHE A 139 0.222 6.764 -3.063 1.00 0.00 N ATOM 1235 CA PHE A 139 0.020 7.193 -4.476 1.00 0.00 C ATOM 1236 C PHE A 139 -0.243 8.700 -4.510 1.00 0.00 C ATOM 1237 O PHE A 139 0.287 9.421 -5.334 1.00 0.00 O ATOM 1238 CB PHE A 139 -1.182 6.448 -5.063 1.00 0.00 C ATOM 1239 CG PHE A 139 -1.070 4.954 -4.790 1.00 0.00 C ATOM 1240 CD1 PHE A 139 0.141 4.268 -4.988 1.00 0.00 C ATOM 1241 CD2 PHE A 139 -2.193 4.252 -4.331 1.00 0.00 C ATOM 1242 CE1 PHE A 139 0.221 2.897 -4.724 1.00 0.00 C ATOM 1243 CE2 PHE A 139 -2.109 2.879 -4.071 1.00 0.00 C ATOM 1244 CZ PHE A 139 -0.902 2.203 -4.266 1.00 0.00 C ATOM 0 H PHE A 139 -0.506 6.158 -2.685 1.00 0.00 H new ATOM 0 HA PHE A 139 0.909 6.965 -5.063 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -2.104 6.835 -4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -1.237 6.624 -6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 139 1.010 4.800 -5.344 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -3.127 4.772 -4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 139 1.153 2.373 -4.875 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -2.978 2.342 -3.720 1.00 0.00 H new ATOM 0 HZ PHE A 139 -0.837 1.144 -4.063 1.00 0.00 H new ATOM 1254 N LYS A 140 -1.056 9.177 -3.611 1.00 0.00 N ATOM 1255 CA LYS A 140 -1.356 10.636 -3.567 1.00 0.00 C ATOM 1256 C LYS A 140 -0.078 11.408 -3.229 1.00 0.00 C ATOM 1257 O LYS A 140 0.201 12.451 -3.788 1.00 0.00 O ATOM 1258 CB LYS A 140 -2.418 10.900 -2.499 1.00 0.00 C ATOM 1259 CG LYS A 140 -3.772 10.359 -2.970 1.00 0.00 C ATOM 1260 CD LYS A 140 -4.836 10.640 -1.903 1.00 0.00 C ATOM 1261 CE LYS A 140 -6.199 10.145 -2.394 1.00 0.00 C ATOM 1262 NZ LYS A 140 -7.236 10.433 -1.361 1.00 0.00 N ATOM 0 H LYS A 140 -1.528 8.617 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 140 -1.728 10.965 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -2.131 10.423 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.492 11.970 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -4.055 10.828 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.702 9.287 -3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.571 10.141 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -4.880 11.708 -1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -6.459 10.635 -3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -6.158 9.074 -2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -8.152 10.051 -1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -6.963 9.988 -0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -7.317 11.461 -1.228 1.00 0.00 H new ATOM 1276 N TYR A 141 0.700 10.896 -2.319 1.00 0.00 N ATOM 1277 CA TYR A 141 1.968 11.582 -1.938 1.00 0.00 C ATOM 1278 C TYR A 141 2.882 11.667 -3.162 1.00 0.00 C ATOM 1279 O TYR A 141 3.475 12.690 -3.446 1.00 0.00 O ATOM 1280 CB TYR A 141 2.666 10.781 -0.839 1.00 0.00 C ATOM 1281 CG TYR A 141 3.996 11.421 -0.516 1.00 0.00 C ATOM 1282 CD1 TYR A 141 4.040 12.589 0.253 1.00 0.00 C ATOM 1283 CD2 TYR A 141 5.186 10.848 -0.987 1.00 0.00 C ATOM 1284 CE1 TYR A 141 5.270 13.187 0.549 1.00 0.00 C ATOM 1285 CE2 TYR A 141 6.416 11.447 -0.689 1.00 0.00 C ATOM 1286 CZ TYR A 141 6.459 12.616 0.079 1.00 0.00 C ATOM 1287 OH TYR A 141 7.671 13.207 0.370 1.00 0.00 O ATOM 0 H TYR A 141 0.513 10.027 -1.819 1.00 0.00 H new ATOM 0 HA TYR A 141 1.748 12.586 -1.574 1.00 0.00 H new ATOM 0 HB2 TYR A 141 2.041 10.746 0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 141 2.815 9.751 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 141 3.124 13.029 0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 141 5.154 9.945 -1.579 1.00 0.00 H new ATOM 0 HE1 TYR A 141 5.302 14.090 1.141 1.00 0.00 H new ATOM 0 HE2 TYR A 141 7.333 11.006 -1.052 1.00 0.00 H new ATOM 0 HH TYR A 141 8.395 12.683 -0.031 1.00 0.00 H new ATOM 1297 N ALA A 142 3.002 10.587 -3.881 1.00 0.00 N ATOM 1298 CA ALA A 142 3.875 10.579 -5.088 1.00 0.00 C ATOM 1299 C ALA A 142 3.319 11.555 -6.130 1.00 0.00 C ATOM 1300 O ALA A 142 4.056 12.231 -6.825 1.00 0.00 O ATOM 1301 CB ALA A 142 3.898 9.167 -5.674 1.00 0.00 C ATOM 0 H ALA A 142 2.530 9.704 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 142 4.885 10.883 -4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 142 4.535 9.150 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 142 4.290 8.471 -4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.886 8.871 -5.950 1.00 0.00 H new ATOM 1307 N TYR A 143 2.024 11.626 -6.245 1.00 0.00 N ATOM 1308 CA TYR A 143 1.406 12.551 -7.237 1.00 0.00 C ATOM 1309 C TYR A 143 1.773 13.998 -6.898 1.00 0.00 C ATOM 1310 O TYR A 143 2.106 14.788 -7.761 1.00 0.00 O ATOM 1311 CB TYR A 143 -0.113 12.392 -7.200 1.00 0.00 C ATOM 1312 CG TYR A 143 -0.747 13.392 -8.140 1.00 0.00 C ATOM 1313 CD1 TYR A 143 -0.676 13.191 -9.523 1.00 0.00 C ATOM 1314 CD2 TYR A 143 -1.399 14.524 -7.629 1.00 0.00 C ATOM 1315 CE1 TYR A 143 -1.256 14.118 -10.396 1.00 0.00 C ATOM 1316 CE2 TYR A 143 -1.978 15.452 -8.504 1.00 0.00 C ATOM 1317 CZ TYR A 143 -1.906 15.249 -9.887 1.00 0.00 C ATOM 1318 OH TYR A 143 -2.476 16.163 -10.749 1.00 0.00 O ATOM 0 H TYR A 143 1.362 11.081 -5.692 1.00 0.00 H new ATOM 0 HA TYR A 143 1.778 12.310 -8.233 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.390 11.378 -7.489 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -0.481 12.546 -6.186 1.00 0.00 H new ATOM 0 HD1 TYR A 143 -0.173 12.320 -9.917 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -1.455 14.680 -6.562 1.00 0.00 H new ATOM 0 HE1 TYR A 143 -1.202 13.961 -11.463 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -2.480 16.324 -8.112 1.00 0.00 H new ATOM 0 HH TYR A 143 -3.436 15.981 -10.831 1.00 0.00 H new ATOM 1328 N ASP A 144 1.696 14.353 -5.648 1.00 0.00 N ATOM 1329 CA ASP A 144 2.023 15.749 -5.241 1.00 0.00 C ATOM 1330 C ASP A 144 3.487 16.058 -5.570 1.00 0.00 C ATOM 1331 O ASP A 144 3.817 17.134 -6.031 1.00 0.00 O ATOM 1332 CB ASP A 144 1.806 15.893 -3.736 1.00 0.00 C ATOM 1333 CG ASP A 144 2.100 17.332 -3.308 1.00 0.00 C ATOM 1334 OD1 ASP A 144 2.561 18.095 -4.139 1.00 0.00 O ATOM 1335 OD2 ASP A 144 1.859 17.645 -2.153 1.00 0.00 O ATOM 0 H ASP A 144 1.419 13.734 -4.886 1.00 0.00 H new ATOM 0 HA ASP A 144 1.379 16.444 -5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.780 15.630 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 144 2.456 15.203 -3.197 1.00 0.00 H new ATOM 1340 N THR A 145 4.366 15.128 -5.330 1.00 0.00 N ATOM 1341 CA THR A 145 5.805 15.377 -5.622 1.00 0.00 C ATOM 1342 C THR A 145 6.008 15.404 -7.140 1.00 0.00 C ATOM 1343 O THR A 145 7.120 15.469 -7.627 1.00 0.00 O ATOM 1344 CB THR A 145 6.649 14.260 -4.996 1.00 0.00 C ATOM 1345 OG1 THR A 145 6.298 14.122 -3.626 1.00 0.00 O ATOM 1346 CG2 THR A 145 8.143 14.590 -5.103 1.00 0.00 C ATOM 0 H THR A 145 4.152 14.208 -4.945 1.00 0.00 H new ATOM 0 HA THR A 145 6.114 16.334 -5.201 1.00 0.00 H new ATOM 0 HB THR A 145 6.455 13.330 -5.530 1.00 0.00 H new ATOM 0 HG1 THR A 145 5.448 13.639 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 145 8.726 13.786 -4.654 1.00 0.00 H new ATOM 0 HG22 THR A 145 8.418 14.695 -6.152 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.348 15.524 -4.579 1.00 0.00 H new ATOM 1354 N ARG A 146 4.930 15.361 -7.879 1.00 0.00 N ATOM 1355 CA ARG A 146 5.017 15.390 -9.370 1.00 0.00 C ATOM 1356 C ARG A 146 5.895 14.240 -9.874 1.00 0.00 C ATOM 1357 O ARG A 146 6.713 14.401 -10.759 1.00 0.00 O ATOM 1358 CB ARG A 146 5.595 16.736 -9.829 1.00 0.00 C ATOM 1359 CG ARG A 146 4.574 17.842 -9.556 1.00 0.00 C ATOM 1360 CD ARG A 146 5.161 19.192 -9.967 1.00 0.00 C ATOM 1361 NE ARG A 146 4.175 20.275 -9.687 1.00 0.00 N ATOM 1362 CZ ARG A 146 3.263 20.593 -10.570 1.00 0.00 C ATOM 1363 NH1 ARG A 146 3.199 19.956 -11.708 1.00 0.00 N ATOM 1364 NH2 ARG A 146 2.414 21.547 -10.311 1.00 0.00 N ATOM 0 H ARG A 146 3.981 15.306 -7.508 1.00 0.00 H new ATOM 0 HA ARG A 146 4.016 15.270 -9.785 1.00 0.00 H new ATOM 0 HB2 ARG A 146 6.525 16.945 -9.301 1.00 0.00 H new ATOM 0 HB3 ARG A 146 5.834 16.699 -10.892 1.00 0.00 H new ATOM 0 HG2 ARG A 146 3.656 17.649 -10.111 1.00 0.00 H new ATOM 0 HG3 ARG A 146 4.310 17.855 -8.498 1.00 0.00 H new ATOM 0 HD2 ARG A 146 6.086 19.379 -9.421 1.00 0.00 H new ATOM 0 HD3 ARG A 146 5.413 19.182 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 146 4.212 20.773 -8.798 1.00 0.00 H new ATOM 0 HH11 ARG A 146 3.861 19.207 -11.911 1.00 0.00 H new ATOM 0 HH12 ARG A 146 2.487 20.207 -12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 146 2.461 22.044 -9.422 1.00 0.00 H new ATOM 0 HH22 ARG A 146 1.702 21.797 -10.998 1.00 0.00 H new ATOM 1378 N LEU A 147 5.710 13.071 -9.319 1.00 0.00 N ATOM 1379 CA LEU A 147 6.500 11.883 -9.759 1.00 0.00 C ATOM 1380 C LEU A 147 5.671 11.063 -10.746 1.00 0.00 C ATOM 1381 O LEU A 147 6.206 10.335 -11.562 1.00 0.00 O ATOM 1382 CB LEU A 147 6.834 11.023 -8.539 1.00 0.00 C ATOM 1383 CG LEU A 147 7.854 11.754 -7.655 1.00 0.00 C ATOM 1384 CD1 LEU A 147 7.941 11.049 -6.296 1.00 0.00 C ATOM 1385 CD2 LEU A 147 9.246 11.762 -8.320 1.00 0.00 C ATOM 0 H LEU A 147 5.039 12.887 -8.573 1.00 0.00 H new ATOM 0 HA LEU A 147 7.421 12.210 -10.241 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.928 10.815 -7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 147 7.238 10.062 -8.859 1.00 0.00 H new ATOM 0 HG LEU A 147 7.528 12.785 -7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.664 11.565 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 147 6.963 11.064 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 147 8.257 10.016 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 147 9.954 12.285 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 147 9.583 10.736 -8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 147 9.187 12.270 -9.282 1.00 0.00 H new ATOM 1397 N ILE A 148 4.366 11.170 -10.675 1.00 0.00 N ATOM 1398 CA ILE A 148 3.491 10.392 -11.606 1.00 0.00 C ATOM 1399 C ILE A 148 2.398 11.292 -12.182 1.00 0.00 C ATOM 1400 O ILE A 148 1.929 12.215 -11.544 1.00 0.00 O ATOM 1401 CB ILE A 148 2.857 9.220 -10.850 1.00 0.00 C ATOM 1402 CG1 ILE A 148 2.058 9.737 -9.648 1.00 0.00 C ATOM 1403 CG2 ILE A 148 3.956 8.276 -10.367 1.00 0.00 C ATOM 1404 CD1 ILE A 148 1.349 8.562 -8.968 1.00 0.00 C ATOM 0 H ILE A 148 3.869 11.764 -10.011 1.00 0.00 H new ATOM 0 HA ILE A 148 4.096 10.009 -12.428 1.00 0.00 H new ATOM 0 HB ILE A 148 2.182 8.686 -11.519 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.723 10.234 -8.941 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.328 10.478 -9.974 1.00 0.00 H new ATOM 0 HG21 ILE A 148 3.508 7.441 -9.829 1.00 0.00 H new ATOM 0 HG22 ILE A 148 4.513 7.898 -11.224 1.00 0.00 H new ATOM 0 HG23 ILE A 148 4.632 8.814 -9.703 1.00 0.00 H new ATOM 0 HD11 ILE A 148 0.780 8.926 -8.113 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.673 8.085 -9.678 1.00 0.00 H new ATOM 0 HD13 ILE A 148 2.089 7.837 -8.629 1.00 0.00 H new ATOM 1416 N LYS A 149 1.988 11.018 -13.394 1.00 0.00 N ATOM 1417 CA LYS A 149 0.921 11.832 -14.044 1.00 0.00 C ATOM 1418 C LYS A 149 -0.398 11.061 -13.991 1.00 0.00 C ATOM 1419 O LYS A 149 -1.074 10.892 -14.989 1.00 0.00 O ATOM 1420 CB LYS A 149 1.319 12.094 -15.503 1.00 0.00 C ATOM 1421 CG LYS A 149 1.634 10.753 -16.238 1.00 0.00 C ATOM 1422 CD LYS A 149 3.075 10.741 -16.775 1.00 0.00 C ATOM 1423 CE LYS A 149 3.178 11.658 -17.994 1.00 0.00 C ATOM 1424 NZ LYS A 149 4.580 11.653 -18.498 1.00 0.00 N ATOM 0 H LYS A 149 2.352 10.256 -13.966 1.00 0.00 H new ATOM 0 HA LYS A 149 0.800 12.783 -13.525 1.00 0.00 H new ATOM 0 HB2 LYS A 149 0.512 12.616 -16.017 1.00 0.00 H new ATOM 0 HB3 LYS A 149 2.192 12.746 -15.536 1.00 0.00 H new ATOM 0 HG2 LYS A 149 1.491 9.917 -15.553 1.00 0.00 H new ATOM 0 HG3 LYS A 149 0.934 10.613 -17.062 1.00 0.00 H new ATOM 0 HD2 LYS A 149 3.765 11.072 -15.999 1.00 0.00 H new ATOM 0 HD3 LYS A 149 3.364 9.726 -17.046 1.00 0.00 H new ATOM 0 HE2 LYS A 149 2.497 11.320 -18.776 1.00 0.00 H new ATOM 0 HE3 LYS A 149 2.879 12.672 -17.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 4.653 12.276 -19.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 5.219 11.994 -17.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 4.849 10.685 -18.768 1.00 0.00 H new ATOM 1438 N ALA A 150 -0.771 10.591 -12.831 1.00 0.00 N ATOM 1439 CA ALA A 150 -2.047 9.830 -12.708 1.00 0.00 C ATOM 1440 C ALA A 150 -2.573 9.934 -11.277 1.00 0.00 C ATOM 1441 O ALA A 150 -1.826 10.138 -10.339 1.00 0.00 O ATOM 1442 CB ALA A 150 -1.809 8.354 -13.049 1.00 0.00 C ATOM 0 H ALA A 150 -0.247 10.701 -11.963 1.00 0.00 H new ATOM 0 HA ALA A 150 -2.777 10.250 -13.399 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -2.745 7.804 -12.957 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -1.439 8.272 -14.071 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -1.074 7.936 -12.362 1.00 0.00 H new ATOM 1448 N MET A 151 -3.863 9.791 -11.106 1.00 0.00 N ATOM 1449 CA MET A 151 -4.469 9.878 -9.743 1.00 0.00 C ATOM 1450 C MET A 151 -5.530 8.779 -9.599 1.00 0.00 C ATOM 1451 O MET A 151 -6.695 9.058 -9.395 1.00 0.00 O ATOM 1452 CB MET A 151 -5.127 11.253 -9.573 1.00 0.00 C ATOM 1453 CG MET A 151 -4.050 12.302 -9.280 1.00 0.00 C ATOM 1454 SD MET A 151 -4.731 13.963 -9.524 1.00 0.00 S ATOM 1455 CE MET A 151 -6.106 13.824 -8.356 1.00 0.00 C ATOM 0 H MET A 151 -4.528 9.616 -11.859 1.00 0.00 H new ATOM 0 HA MET A 151 -3.700 9.747 -8.982 1.00 0.00 H new ATOM 0 HB2 MET A 151 -5.674 11.521 -10.477 1.00 0.00 H new ATOM 0 HB3 MET A 151 -5.852 11.223 -8.759 1.00 0.00 H new ATOM 0 HG2 MET A 151 -3.691 12.193 -8.257 1.00 0.00 H new ATOM 0 HG3 MET A 151 -3.193 12.150 -9.936 1.00 0.00 H new ATOM 0 HE1 MET A 151 -6.436 14.820 -8.062 1.00 0.00 H new ATOM 0 HE2 MET A 151 -6.932 13.293 -8.828 1.00 0.00 H new ATOM 0 HE3 MET A 151 -5.779 13.275 -7.473 1.00 0.00 H new ATOM 1465 N PRO A 152 -5.126 7.537 -9.711 1.00 0.00 N ATOM 1466 CA PRO A 152 -6.055 6.370 -9.595 1.00 0.00 C ATOM 1467 C PRO A 152 -6.587 6.183 -8.171 1.00 0.00 C ATOM 1468 O PRO A 152 -5.994 6.638 -7.213 1.00 0.00 O ATOM 1469 CB PRO A 152 -5.198 5.166 -10.026 1.00 0.00 C ATOM 1470 CG PRO A 152 -3.782 5.582 -9.775 1.00 0.00 C ATOM 1471 CD PRO A 152 -3.738 7.105 -9.958 1.00 0.00 C ATOM 0 HA PRO A 152 -6.946 6.503 -10.209 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -5.454 4.275 -9.453 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -5.357 4.925 -11.077 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -3.468 5.303 -8.769 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -3.103 5.088 -10.470 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -3.045 7.571 -9.258 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -3.408 7.377 -10.961 1.00 0.00 H new