USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 435 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 135 SER OG : rot 180:sc= -0.0464 USER MOD Set 1.2: A 136 ASN : amide:sc= -0.25 K(o=-0.3,f=-1.5) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.633 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 169:sc= 1.17 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.308 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.761 K(o=-0.76,f=-0.068) USER MOD Single : A 105 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00275) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -1.78! C(o=-1.8!,f=-4.5!) USER MOD Single : A 113 ASN : amide:sc= -0.877 K(o=-0.88,f=-0.23) USER MOD Single : A 114 SER OG : rot -137:sc= -2.49! USER MOD Single : A 115 SER OG : rot -51:sc= 0.0973 USER MOD Single : A 124 SER OG : rot 180:sc= -0.175 USER MOD Single : A 126 THR OG1 : rot 149:sc= 0.229 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.0429 USER MOD Single : A 132 TYR OH : rot -66:sc= 0.161 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 84 -11.088 2.857 -12.646 1.00 0.00 N ATOM 2 CA VAL A 84 -11.721 3.951 -11.858 1.00 0.00 C ATOM 3 C VAL A 84 -11.128 3.976 -10.447 1.00 0.00 C ATOM 4 O VAL A 84 -11.838 3.900 -9.465 1.00 0.00 O ATOM 5 CB VAL A 84 -13.229 3.710 -11.769 1.00 0.00 C ATOM 6 CG1 VAL A 84 -13.490 2.304 -11.225 1.00 0.00 C ATOM 7 CG2 VAL A 84 -13.855 4.744 -10.830 1.00 0.00 C ATOM 0 HA VAL A 84 -11.532 4.905 -12.349 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.671 3.803 -12.761 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.564 2.132 -11.161 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -13.043 1.567 -11.892 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -13.048 2.210 -10.233 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.930 4.574 -10.766 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -13.413 4.650 -9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -13.669 5.746 -11.217 1.00 0.00 H new ATOM 19 N THR A 85 -9.832 4.078 -10.339 1.00 0.00 N ATOM 20 CA THR A 85 -9.201 4.105 -8.990 1.00 0.00 C ATOM 21 C THR A 85 -7.781 4.665 -9.099 1.00 0.00 C ATOM 22 O THR A 85 -6.812 3.977 -8.849 1.00 0.00 O ATOM 23 CB THR A 85 -9.147 2.685 -8.425 1.00 0.00 C ATOM 24 OG1 THR A 85 -9.936 1.825 -9.235 1.00 0.00 O ATOM 25 CG2 THR A 85 -9.688 2.683 -6.995 1.00 0.00 C ATOM 0 H THR A 85 -9.184 4.144 -11.124 1.00 0.00 H new ATOM 0 HA THR A 85 -9.790 4.739 -8.327 1.00 0.00 H new ATOM 0 HB THR A 85 -8.115 2.333 -8.420 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.901 0.914 -8.875 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.649 1.671 -6.593 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.081 3.343 -6.375 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.720 3.034 -6.996 1.00 0.00 H new ATOM 33 N LEU A 86 -7.650 5.910 -9.466 1.00 0.00 N ATOM 34 CA LEU A 86 -6.293 6.511 -9.586 1.00 0.00 C ATOM 35 C LEU A 86 -5.873 7.093 -8.235 1.00 0.00 C ATOM 36 O LEU A 86 -6.215 8.208 -7.895 1.00 0.00 O ATOM 37 CB LEU A 86 -6.317 7.625 -10.635 1.00 0.00 C ATOM 38 CG LEU A 86 -6.648 7.031 -12.006 1.00 0.00 C ATOM 39 CD1 LEU A 86 -5.778 5.798 -12.254 1.00 0.00 C ATOM 40 CD2 LEU A 86 -8.125 6.627 -12.041 1.00 0.00 C ATOM 0 H LEU A 86 -8.424 6.536 -9.688 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.582 5.743 -9.889 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.058 8.377 -10.365 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.350 8.128 -10.669 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.453 7.773 -12.780 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.015 5.376 -13.231 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.726 6.083 -12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.972 5.054 -11.481 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.363 6.204 -13.017 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.318 5.885 -11.266 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.747 7.505 -11.865 1.00 0.00 H new ATOM 52 N PHE A 87 -5.134 6.346 -7.460 1.00 0.00 N ATOM 53 CA PHE A 87 -4.693 6.857 -6.132 1.00 0.00 C ATOM 54 C PHE A 87 -3.224 7.280 -6.214 1.00 0.00 C ATOM 55 O PHE A 87 -2.393 6.574 -6.748 1.00 0.00 O ATOM 56 CB PHE A 87 -4.848 5.752 -5.084 1.00 0.00 C ATOM 57 CG PHE A 87 -6.304 5.608 -4.714 1.00 0.00 C ATOM 58 CD1 PHE A 87 -7.265 5.407 -5.711 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.695 5.674 -3.370 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.615 5.271 -5.367 1.00 0.00 C ATOM 61 CE2 PHE A 87 -8.045 5.540 -3.026 1.00 0.00 C ATOM 62 CZ PHE A 87 -9.005 5.338 -4.024 1.00 0.00 C ATOM 0 H PHE A 87 -4.817 5.404 -7.690 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.304 7.714 -5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.467 4.809 -5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.259 5.991 -4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.965 5.357 -6.747 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.954 5.828 -2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.356 5.114 -6.137 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.346 5.593 -1.990 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.047 5.234 -3.758 1.00 0.00 H new ATOM 72 N VAL A 88 -2.898 8.431 -5.689 1.00 0.00 N ATOM 73 CA VAL A 88 -1.484 8.899 -5.740 1.00 0.00 C ATOM 74 C VAL A 88 -0.770 8.513 -4.443 1.00 0.00 C ATOM 75 O VAL A 88 -1.395 8.183 -3.454 1.00 0.00 O ATOM 76 CB VAL A 88 -1.455 10.421 -5.902 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.158 10.838 -6.598 1.00 0.00 C ATOM 78 CG2 VAL A 88 -2.651 10.868 -6.745 1.00 0.00 C ATOM 0 H VAL A 88 -3.549 9.066 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.979 8.433 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.506 10.890 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.139 11.922 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.695 10.521 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.105 10.368 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.630 11.952 -6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.600 10.398 -7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.576 10.574 -6.249 1.00 0.00 H new ATOM 88 N ALA A 89 0.535 8.555 -4.437 1.00 0.00 N ATOM 89 CA ALA A 89 1.287 8.194 -3.203 1.00 0.00 C ATOM 90 C ALA A 89 1.412 9.431 -2.312 1.00 0.00 C ATOM 91 O ALA A 89 2.067 10.393 -2.655 1.00 0.00 O ATOM 92 CB ALA A 89 2.681 7.690 -3.581 1.00 0.00 C ATOM 0 H ALA A 89 1.112 8.824 -5.234 1.00 0.00 H new ATOM 0 HA ALA A 89 0.756 7.408 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.230 7.426 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.589 6.811 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.218 8.473 -4.116 1.00 0.00 H new ATOM 98 N LEU A 90 0.777 9.416 -1.173 1.00 0.00 N ATOM 99 CA LEU A 90 0.845 10.594 -0.262 1.00 0.00 C ATOM 100 C LEU A 90 2.273 10.776 0.259 1.00 0.00 C ATOM 101 O LEU A 90 2.593 11.776 0.871 1.00 0.00 O ATOM 102 CB LEU A 90 -0.103 10.375 0.917 1.00 0.00 C ATOM 103 CG LEU A 90 -1.548 10.345 0.412 1.00 0.00 C ATOM 104 CD1 LEU A 90 -2.427 9.611 1.424 1.00 0.00 C ATOM 105 CD2 LEU A 90 -2.055 11.778 0.239 1.00 0.00 C ATOM 0 H LEU A 90 0.213 8.637 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 90 0.552 11.489 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.137 9.439 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.021 11.172 1.650 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.589 9.826 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.456 9.590 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.065 8.590 1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.388 10.129 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.084 11.759 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.015 12.296 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.428 12.301 -0.483 1.00 0.00 H new ATOM 117 N TYR A 91 3.138 9.825 0.029 1.00 0.00 N ATOM 118 CA TYR A 91 4.539 9.965 0.523 1.00 0.00 C ATOM 119 C TYR A 91 5.470 9.060 -0.284 1.00 0.00 C ATOM 120 O TYR A 91 5.089 8.497 -1.292 1.00 0.00 O ATOM 121 CB TYR A 91 4.606 9.565 1.999 1.00 0.00 C ATOM 122 CG TYR A 91 3.428 10.149 2.740 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.520 11.427 3.305 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.244 9.413 2.864 1.00 0.00 C ATOM 125 CE1 TYR A 91 2.429 11.968 3.994 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.152 9.954 3.553 1.00 0.00 C ATOM 127 CZ TYR A 91 1.244 11.232 4.119 1.00 0.00 C ATOM 128 OH TYR A 91 0.169 11.765 4.798 1.00 0.00 O ATOM 0 H TYR A 91 2.937 8.962 -0.476 1.00 0.00 H new ATOM 0 HA TYR A 91 4.852 11.003 0.408 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.604 8.479 2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.537 9.920 2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.433 11.995 3.209 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.173 8.427 2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.501 12.954 4.430 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.238 9.386 3.648 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.573 11.125 4.790 1.00 0.00 H new ATOM 138 N ASP A 92 6.690 8.915 0.157 1.00 0.00 N ATOM 139 CA ASP A 92 7.654 8.046 -0.573 1.00 0.00 C ATOM 140 C ASP A 92 7.681 6.664 0.081 1.00 0.00 C ATOM 141 O ASP A 92 7.613 6.537 1.286 1.00 0.00 O ATOM 142 CB ASP A 92 9.051 8.670 -0.508 1.00 0.00 C ATOM 143 CG ASP A 92 10.091 7.653 -0.979 1.00 0.00 C ATOM 144 OD1 ASP A 92 9.941 7.147 -2.079 1.00 0.00 O ATOM 145 OD2 ASP A 92 11.022 7.398 -0.233 1.00 0.00 O ATOM 0 H ASP A 92 7.061 9.363 0.995 1.00 0.00 H new ATOM 0 HA ASP A 92 7.348 7.951 -1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.091 9.562 -1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.272 8.985 0.512 1.00 0.00 H new ATOM 150 N TYR A 93 7.777 5.626 -0.703 1.00 0.00 N ATOM 151 CA TYR A 93 7.807 4.256 -0.118 1.00 0.00 C ATOM 152 C TYR A 93 8.841 3.406 -0.858 1.00 0.00 C ATOM 153 O TYR A 93 9.048 3.555 -2.045 1.00 0.00 O ATOM 154 CB TYR A 93 6.424 3.616 -0.258 1.00 0.00 C ATOM 155 CG TYR A 93 6.479 2.188 0.230 1.00 0.00 C ATOM 156 CD1 TYR A 93 6.660 1.920 1.592 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.351 1.133 -0.681 1.00 0.00 C ATOM 158 CE1 TYR A 93 6.712 0.596 2.044 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.403 -0.191 -0.229 1.00 0.00 C ATOM 160 CZ TYR A 93 6.583 -0.460 1.133 1.00 0.00 C ATOM 161 OH TYR A 93 6.635 -1.765 1.578 1.00 0.00 O ATOM 0 H TYR A 93 7.836 5.667 -1.720 1.00 0.00 H new ATOM 0 HA TYR A 93 8.077 4.315 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.690 4.180 0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.102 3.644 -1.299 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.760 2.735 2.294 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.212 1.340 -1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.852 0.389 3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.304 -1.005 -0.931 1.00 0.00 H new ATOM 0 HH TYR A 93 6.360 -2.368 0.856 1.00 0.00 H new ATOM 171 N GLU A 94 9.493 2.514 -0.164 1.00 0.00 N ATOM 172 CA GLU A 94 10.513 1.655 -0.827 1.00 0.00 C ATOM 173 C GLU A 94 10.111 0.186 -0.682 1.00 0.00 C ATOM 174 O GLU A 94 9.953 -0.318 0.411 1.00 0.00 O ATOM 175 CB GLU A 94 11.877 1.878 -0.170 1.00 0.00 C ATOM 176 CG GLU A 94 12.383 3.281 -0.506 1.00 0.00 C ATOM 177 CD GLU A 94 12.758 4.013 0.783 1.00 0.00 C ATOM 178 OE1 GLU A 94 13.562 3.481 1.530 1.00 0.00 O ATOM 179 OE2 GLU A 94 12.235 5.093 1.001 1.00 0.00 O ATOM 0 H GLU A 94 9.363 2.343 0.833 1.00 0.00 H new ATOM 0 HA GLU A 94 10.574 1.914 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.796 1.758 0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.588 1.130 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.249 3.218 -1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.614 3.837 -1.042 1.00 0.00 H new ATOM 186 N ALA A 95 9.940 -0.502 -1.778 1.00 0.00 N ATOM 187 CA ALA A 95 9.545 -1.936 -1.704 1.00 0.00 C ATOM 188 C ALA A 95 10.415 -2.656 -0.672 1.00 0.00 C ATOM 189 O ALA A 95 11.492 -3.130 -0.976 1.00 0.00 O ATOM 190 CB ALA A 95 9.735 -2.589 -3.075 1.00 0.00 C ATOM 0 H ALA A 95 10.057 -0.132 -2.721 1.00 0.00 H new ATOM 0 HA ALA A 95 8.498 -2.008 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.446 -3.639 -3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.113 -2.079 -3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.781 -2.516 -3.371 1.00 0.00 H new ATOM 196 N ARG A 96 9.958 -2.741 0.547 1.00 0.00 N ATOM 197 CA ARG A 96 10.759 -3.432 1.597 1.00 0.00 C ATOM 198 C ARG A 96 10.786 -4.933 1.309 1.00 0.00 C ATOM 199 O ARG A 96 11.689 -5.638 1.713 1.00 0.00 O ATOM 200 CB ARG A 96 10.126 -3.184 2.968 1.00 0.00 C ATOM 201 CG ARG A 96 11.212 -2.782 3.968 1.00 0.00 C ATOM 202 CD ARG A 96 10.575 -2.522 5.334 1.00 0.00 C ATOM 203 NE ARG A 96 9.458 -1.547 5.183 1.00 0.00 N ATOM 204 CZ ARG A 96 8.600 -1.381 6.152 1.00 0.00 C ATOM 205 NH1 ARG A 96 8.937 -0.697 7.211 1.00 0.00 N ATOM 206 NH2 ARG A 96 7.405 -1.898 6.063 1.00 0.00 N ATOM 0 H ARG A 96 9.065 -2.362 0.862 1.00 0.00 H new ATOM 0 HA ARG A 96 11.777 -3.043 1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.374 -2.398 2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.615 -4.083 3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.959 -3.572 4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.729 -1.888 3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.203 -3.455 5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.321 -2.133 6.027 1.00 0.00 H new ATOM 0 HE ARG A 96 9.364 -1.009 4.322 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.871 -0.292 7.281 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.267 -0.567 7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.141 -2.432 5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.735 -1.768 6.821 1.00 0.00 H new ATOM 220 N THR A 97 9.801 -5.428 0.609 1.00 0.00 N ATOM 221 CA THR A 97 9.770 -6.883 0.292 1.00 0.00 C ATOM 222 C THR A 97 9.687 -7.071 -1.224 1.00 0.00 C ATOM 223 O THR A 97 9.599 -6.118 -1.972 1.00 0.00 O ATOM 224 CB THR A 97 8.549 -7.526 0.956 1.00 0.00 C ATOM 225 OG1 THR A 97 7.429 -7.417 0.088 1.00 0.00 O ATOM 226 CG2 THR A 97 8.246 -6.813 2.275 1.00 0.00 C ATOM 0 H THR A 97 9.017 -4.887 0.244 1.00 0.00 H new ATOM 0 HA THR A 97 10.677 -7.357 0.668 1.00 0.00 H new ATOM 0 HB THR A 97 8.755 -8.578 1.155 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.647 -7.829 0.510 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.377 -7.272 2.746 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.106 -6.897 2.940 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.040 -5.761 2.081 1.00 0.00 H new ATOM 234 N GLU A 98 9.714 -8.291 -1.684 1.00 0.00 N ATOM 235 CA GLU A 98 9.637 -8.537 -3.153 1.00 0.00 C ATOM 236 C GLU A 98 8.179 -8.454 -3.611 1.00 0.00 C ATOM 237 O GLU A 98 7.892 -8.387 -4.790 1.00 0.00 O ATOM 238 CB GLU A 98 10.195 -9.926 -3.467 1.00 0.00 C ATOM 239 CG GLU A 98 11.676 -9.812 -3.837 1.00 0.00 C ATOM 240 CD GLU A 98 12.446 -10.983 -3.226 1.00 0.00 C ATOM 241 OE1 GLU A 98 11.813 -11.968 -2.881 1.00 0.00 O ATOM 242 OE2 GLU A 98 13.656 -10.875 -3.113 1.00 0.00 O ATOM 0 H GLU A 98 9.786 -9.129 -1.107 1.00 0.00 H new ATOM 0 HA GLU A 98 10.223 -7.783 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.075 -10.581 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.638 -10.376 -4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.792 -9.813 -4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.081 -8.868 -3.474 1.00 0.00 H new ATOM 249 N ASP A 99 7.256 -8.460 -2.689 1.00 0.00 N ATOM 250 CA ASP A 99 5.819 -8.384 -3.074 1.00 0.00 C ATOM 251 C ASP A 99 5.316 -6.949 -2.891 1.00 0.00 C ATOM 252 O ASP A 99 4.129 -6.704 -2.813 1.00 0.00 O ATOM 253 CB ASP A 99 5.002 -9.327 -2.188 1.00 0.00 C ATOM 254 CG ASP A 99 4.959 -10.718 -2.824 1.00 0.00 C ATOM 255 OD1 ASP A 99 6.019 -11.290 -3.023 1.00 0.00 O ATOM 256 OD2 ASP A 99 3.867 -11.188 -3.101 1.00 0.00 O ATOM 0 H ASP A 99 7.435 -8.514 -1.686 1.00 0.00 H new ATOM 0 HA ASP A 99 5.707 -8.678 -4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.445 -9.384 -1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.990 -8.941 -2.064 1.00 0.00 H new ATOM 261 N ASP A 100 6.211 -6.001 -2.821 1.00 0.00 N ATOM 262 CA ASP A 100 5.782 -4.585 -2.643 1.00 0.00 C ATOM 263 C ASP A 100 6.316 -3.741 -3.803 1.00 0.00 C ATOM 264 O ASP A 100 7.151 -4.180 -4.568 1.00 0.00 O ATOM 265 CB ASP A 100 6.339 -4.046 -1.323 1.00 0.00 C ATOM 266 CG ASP A 100 5.347 -4.336 -0.194 1.00 0.00 C ATOM 267 OD1 ASP A 100 4.841 -5.444 -0.146 1.00 0.00 O ATOM 268 OD2 ASP A 100 5.110 -3.441 0.603 1.00 0.00 O ATOM 0 H ASP A 100 7.219 -6.146 -2.879 1.00 0.00 H new ATOM 0 HA ASP A 100 4.693 -4.534 -2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.301 -4.511 -1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.514 -2.973 -1.401 1.00 0.00 H new ATOM 273 N LEU A 101 5.840 -2.533 -3.940 1.00 0.00 N ATOM 274 CA LEU A 101 6.320 -1.664 -5.052 1.00 0.00 C ATOM 275 C LEU A 101 7.133 -0.499 -4.481 1.00 0.00 C ATOM 276 O LEU A 101 7.132 -0.252 -3.292 1.00 0.00 O ATOM 277 CB LEU A 101 5.119 -1.111 -5.821 1.00 0.00 C ATOM 278 CG LEU A 101 4.249 -2.268 -6.312 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.786 -1.993 -5.955 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.385 -2.398 -7.830 1.00 0.00 C ATOM 0 H LEU A 101 5.140 -2.111 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 101 6.947 -2.251 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.536 -0.451 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.459 -0.514 -6.667 1.00 0.00 H new ATOM 0 HG LEU A 101 4.573 -3.194 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.165 -2.818 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.687 -1.898 -4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.463 -1.068 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.765 -3.223 -8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.061 -1.472 -8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.426 -2.592 -8.087 1.00 0.00 H new ATOM 292 N SER A 102 7.823 0.220 -5.324 1.00 0.00 N ATOM 293 CA SER A 102 8.632 1.372 -4.839 1.00 0.00 C ATOM 294 C SER A 102 8.244 2.625 -5.626 1.00 0.00 C ATOM 295 O SER A 102 7.883 2.552 -6.784 1.00 0.00 O ATOM 296 CB SER A 102 10.119 1.077 -5.045 1.00 0.00 C ATOM 297 OG SER A 102 10.495 1.460 -6.362 1.00 0.00 O ATOM 0 H SER A 102 7.861 0.058 -6.330 1.00 0.00 H new ATOM 0 HA SER A 102 8.442 1.532 -3.778 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.715 1.621 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.316 0.016 -4.892 1.00 0.00 H new ATOM 0 HG SER A 102 11.448 1.274 -6.497 1.00 0.00 H new ATOM 303 N PHE A 103 8.310 3.774 -5.010 1.00 0.00 N ATOM 304 CA PHE A 103 7.938 5.025 -5.730 1.00 0.00 C ATOM 305 C PHE A 103 8.132 6.228 -4.807 1.00 0.00 C ATOM 306 O PHE A 103 8.649 6.108 -3.714 1.00 0.00 O ATOM 307 CB PHE A 103 6.472 4.947 -6.160 1.00 0.00 C ATOM 308 CG PHE A 103 5.618 4.582 -4.970 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.158 5.582 -4.106 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.281 3.243 -4.734 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.362 5.244 -3.004 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.485 2.906 -3.634 1.00 0.00 C ATOM 313 CZ PHE A 103 4.025 3.906 -2.768 1.00 0.00 C ATOM 0 H PHE A 103 8.605 3.900 -4.042 1.00 0.00 H new ATOM 0 HA PHE A 103 8.573 5.138 -6.609 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.151 5.904 -6.572 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.352 4.204 -6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.417 6.615 -4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.636 2.471 -5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.008 6.016 -2.336 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.225 1.874 -3.452 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.411 3.645 -1.919 1.00 0.00 H new ATOM 323 N HIS A 104 7.718 7.389 -5.239 1.00 0.00 N ATOM 324 CA HIS A 104 7.876 8.602 -4.388 1.00 0.00 C ATOM 325 C HIS A 104 6.578 9.412 -4.410 1.00 0.00 C ATOM 326 O HIS A 104 5.682 9.146 -5.186 1.00 0.00 O ATOM 327 CB HIS A 104 9.023 9.459 -4.929 1.00 0.00 C ATOM 328 CG HIS A 104 10.101 8.566 -5.480 1.00 0.00 C ATOM 329 ND1 HIS A 104 10.310 8.415 -6.842 1.00 0.00 N ATOM 330 CD2 HIS A 104 11.037 7.771 -4.866 1.00 0.00 C ATOM 331 CE1 HIS A 104 11.335 7.557 -7.002 1.00 0.00 C ATOM 332 NE2 HIS A 104 11.815 7.135 -5.829 1.00 0.00 N ATOM 0 H HIS A 104 7.277 7.549 -6.145 1.00 0.00 H new ATOM 0 HA HIS A 104 8.099 8.302 -3.364 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.656 10.127 -5.708 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.427 10.087 -4.135 1.00 0.00 H new ATOM 0 HD2 HIS A 104 11.152 7.657 -3.798 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.722 7.248 -7.962 1.00 0.00 H new ATOM 0 HE2 HIS A 104 12.586 6.486 -5.673 1.00 0.00 H new ATOM 340 N LYS A 105 6.469 10.399 -3.563 1.00 0.00 N ATOM 341 CA LYS A 105 5.230 11.227 -3.531 1.00 0.00 C ATOM 342 C LYS A 105 4.923 11.756 -4.935 1.00 0.00 C ATOM 343 O LYS A 105 5.725 12.439 -5.540 1.00 0.00 O ATOM 344 CB LYS A 105 5.437 12.407 -2.579 1.00 0.00 C ATOM 345 CG LYS A 105 4.139 12.693 -1.823 1.00 0.00 C ATOM 346 CD LYS A 105 4.426 13.646 -0.662 1.00 0.00 C ATOM 347 CE LYS A 105 3.930 15.050 -1.017 1.00 0.00 C ATOM 348 NZ LYS A 105 5.027 15.812 -1.674 1.00 0.00 N ATOM 0 H LYS A 105 7.187 10.668 -2.890 1.00 0.00 H new ATOM 0 HA LYS A 105 4.396 10.616 -3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.238 12.182 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.745 13.290 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.403 13.133 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.712 11.763 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.932 13.292 0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.495 13.669 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.069 14.986 -1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.600 15.569 -0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.701 16.777 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.849 15.855 -1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.298 15.337 -2.559 1.00 0.00 H new ATOM 362 N GLY A 106 3.764 11.451 -5.457 1.00 0.00 N ATOM 363 CA GLY A 106 3.408 11.945 -6.818 1.00 0.00 C ATOM 364 C GLY A 106 3.229 10.763 -7.774 1.00 0.00 C ATOM 365 O GLY A 106 2.809 10.925 -8.902 1.00 0.00 O ATOM 0 H GLY A 106 3.051 10.883 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.489 12.529 -6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.189 12.608 -7.189 1.00 0.00 H new ATOM 369 N GLU A 107 3.546 9.574 -7.337 1.00 0.00 N ATOM 370 CA GLU A 107 3.392 8.391 -8.231 1.00 0.00 C ATOM 371 C GLU A 107 1.935 7.922 -8.219 1.00 0.00 C ATOM 372 O GLU A 107 1.358 7.678 -7.178 1.00 0.00 O ATOM 373 CB GLU A 107 4.298 7.257 -7.742 1.00 0.00 C ATOM 374 CG GLU A 107 5.381 6.987 -8.789 1.00 0.00 C ATOM 375 CD GLU A 107 4.782 6.195 -9.952 1.00 0.00 C ATOM 376 OE1 GLU A 107 3.694 5.667 -9.787 1.00 0.00 O ATOM 377 OE2 GLU A 107 5.422 6.128 -10.988 1.00 0.00 O ATOM 0 H GLU A 107 3.904 9.371 -6.403 1.00 0.00 H new ATOM 0 HA GLU A 107 3.674 8.669 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.756 7.527 -6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.710 6.355 -7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.794 7.928 -9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.203 6.429 -8.341 1.00 0.00 H new ATOM 384 N LYS A 108 1.336 7.794 -9.372 1.00 0.00 N ATOM 385 CA LYS A 108 -0.083 7.342 -9.433 1.00 0.00 C ATOM 386 C LYS A 108 -0.134 5.814 -9.365 1.00 0.00 C ATOM 387 O LYS A 108 0.841 5.139 -9.627 1.00 0.00 O ATOM 388 CB LYS A 108 -0.712 7.813 -10.746 1.00 0.00 C ATOM 389 CG LYS A 108 -1.732 8.917 -10.459 1.00 0.00 C ATOM 390 CD LYS A 108 -1.024 10.273 -10.436 1.00 0.00 C ATOM 391 CE LYS A 108 -1.977 11.358 -10.938 1.00 0.00 C ATOM 392 NZ LYS A 108 -1.531 11.829 -12.279 1.00 0.00 N ATOM 0 H LYS A 108 1.769 7.983 -10.276 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.635 7.763 -8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.061 8.184 -11.419 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.198 6.977 -11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.511 8.914 -11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.222 8.734 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.694 10.505 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.132 10.240 -11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.992 10.966 -10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.998 12.192 -10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.179 12.567 -12.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.569 12.218 -12.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.533 11.031 -12.946 1.00 0.00 H new ATOM 406 N PHE A 109 -1.265 5.263 -9.016 1.00 0.00 N ATOM 407 CA PHE A 109 -1.375 3.779 -8.933 1.00 0.00 C ATOM 408 C PHE A 109 -2.811 3.353 -9.249 1.00 0.00 C ATOM 409 O PHE A 109 -3.733 4.139 -9.171 1.00 0.00 O ATOM 410 CB PHE A 109 -1.009 3.317 -7.522 1.00 0.00 C ATOM 411 CG PHE A 109 0.478 3.465 -7.313 1.00 0.00 C ATOM 412 CD1 PHE A 109 1.366 2.584 -7.943 1.00 0.00 C ATOM 413 CD2 PHE A 109 0.970 4.482 -6.486 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.745 2.721 -7.746 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.348 4.619 -6.290 1.00 0.00 C ATOM 416 CZ PHE A 109 3.236 3.739 -6.920 1.00 0.00 C ATOM 0 H PHE A 109 -2.116 5.776 -8.785 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.694 3.326 -9.653 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.551 3.907 -6.783 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.305 2.278 -7.380 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.987 1.799 -8.581 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.285 5.161 -5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.430 2.041 -8.231 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.727 5.404 -5.652 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.300 3.846 -6.769 1.00 0.00 H new ATOM 426 N GLN A 110 -3.004 2.111 -9.601 1.00 0.00 N ATOM 427 CA GLN A 110 -4.379 1.631 -9.915 1.00 0.00 C ATOM 428 C GLN A 110 -4.784 0.562 -8.901 1.00 0.00 C ATOM 429 O GLN A 110 -4.316 -0.559 -8.945 1.00 0.00 O ATOM 430 CB GLN A 110 -4.401 1.036 -11.326 1.00 0.00 C ATOM 431 CG GLN A 110 -4.802 2.118 -12.329 1.00 0.00 C ATOM 432 CD GLN A 110 -5.661 1.497 -13.432 1.00 0.00 C ATOM 433 OE1 GLN A 110 -5.148 1.050 -14.438 1.00 0.00 O ATOM 434 NE2 GLN A 110 -6.957 1.450 -13.283 1.00 0.00 N ATOM 0 H GLN A 110 -2.269 1.409 -9.685 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.079 2.465 -9.864 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.419 0.636 -11.579 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.105 0.205 -11.371 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -5.356 2.910 -11.824 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.912 2.577 -12.761 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -7.387 1.826 -12.438 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -7.540 1.038 -14.012 1.00 0.00 H new ATOM 443 N ILE A 111 -5.648 0.898 -7.981 1.00 0.00 N ATOM 444 CA ILE A 111 -6.076 -0.100 -6.960 1.00 0.00 C ATOM 445 C ILE A 111 -7.033 -1.111 -7.594 1.00 0.00 C ATOM 446 O ILE A 111 -8.117 -0.771 -8.025 1.00 0.00 O ATOM 447 CB ILE A 111 -6.786 0.618 -5.810 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.855 1.675 -5.208 1.00 0.00 C ATOM 449 CG2 ILE A 111 -7.162 -0.399 -4.731 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.461 1.077 -4.998 1.00 0.00 C ATOM 0 H ILE A 111 -6.075 1.820 -7.893 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.198 -0.623 -6.579 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.686 1.102 -6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.794 2.539 -5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.256 2.028 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.668 0.111 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.827 -1.151 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.260 -0.882 -4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.802 1.832 -4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.528 0.227 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.059 0.746 -5.956 1.00 0.00 H new ATOM 462 N LEU A 112 -6.644 -2.356 -7.646 1.00 0.00 N ATOM 463 CA LEU A 112 -7.534 -3.394 -8.242 1.00 0.00 C ATOM 464 C LEU A 112 -8.134 -4.243 -7.120 1.00 0.00 C ATOM 465 O LEU A 112 -9.078 -4.982 -7.322 1.00 0.00 O ATOM 466 CB LEU A 112 -6.724 -4.288 -9.183 1.00 0.00 C ATOM 467 CG LEU A 112 -5.353 -4.564 -8.566 1.00 0.00 C ATOM 468 CD1 LEU A 112 -4.928 -5.999 -8.882 1.00 0.00 C ATOM 469 CD2 LEU A 112 -4.327 -3.590 -9.149 1.00 0.00 C ATOM 0 H LEU A 112 -5.748 -2.700 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.332 -2.911 -8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.252 -5.225 -9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.608 -3.804 -10.152 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.409 -4.432 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.950 -6.194 -8.441 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.658 -6.694 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.872 -6.132 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.349 -3.786 -8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.273 -3.722 -10.230 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.628 -2.567 -8.924 1.00 0.00 H new ATOM 481 N ASN A 113 -7.593 -4.140 -5.937 1.00 0.00 N ATOM 482 CA ASN A 113 -8.126 -4.935 -4.795 1.00 0.00 C ATOM 483 C ASN A 113 -7.700 -4.278 -3.481 1.00 0.00 C ATOM 484 O ASN A 113 -6.634 -3.703 -3.382 1.00 0.00 O ATOM 485 CB ASN A 113 -7.567 -6.359 -4.859 1.00 0.00 C ATOM 486 CG ASN A 113 -8.645 -7.308 -5.386 1.00 0.00 C ATOM 487 OD1 ASN A 113 -9.419 -7.851 -4.623 1.00 0.00 O ATOM 488 ND2 ASN A 113 -8.730 -7.532 -6.669 1.00 0.00 N ATOM 0 H ASN A 113 -6.802 -3.537 -5.712 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.214 -4.971 -4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -6.692 -6.389 -5.509 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.240 -6.677 -3.869 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -9.446 -8.162 -7.030 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -8.081 -7.077 -7.310 1.00 0.00 H new ATOM 495 N SER A 114 -8.523 -4.355 -2.472 1.00 0.00 N ATOM 496 CA SER A 114 -8.159 -3.730 -1.169 1.00 0.00 C ATOM 497 C SER A 114 -9.020 -4.325 -0.054 1.00 0.00 C ATOM 498 O SER A 114 -10.021 -3.761 0.339 1.00 0.00 O ATOM 499 CB SER A 114 -8.398 -2.222 -1.245 1.00 0.00 C ATOM 500 OG SER A 114 -7.413 -1.632 -2.083 1.00 0.00 O ATOM 0 H SER A 114 -9.429 -4.822 -2.493 1.00 0.00 H new ATOM 0 HA SER A 114 -7.108 -3.924 -0.956 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.395 -2.019 -1.637 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.353 -1.784 -0.248 1.00 0.00 H new ATOM 0 HG SER A 114 -7.088 -0.803 -1.673 1.00 0.00 H new ATOM 506 N SER A 115 -8.636 -5.461 0.461 1.00 0.00 N ATOM 507 CA SER A 115 -9.431 -6.089 1.552 1.00 0.00 C ATOM 508 C SER A 115 -8.560 -7.103 2.296 1.00 0.00 C ATOM 509 O SER A 115 -9.056 -8.019 2.922 1.00 0.00 O ATOM 510 CB SER A 115 -10.646 -6.800 0.955 1.00 0.00 C ATOM 511 OG SER A 115 -11.620 -7.000 1.972 1.00 0.00 O ATOM 0 H SER A 115 -7.807 -5.980 0.173 1.00 0.00 H new ATOM 0 HA SER A 115 -9.768 -5.319 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.067 -6.206 0.144 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.348 -7.757 0.528 1.00 0.00 H new ATOM 0 HG SER A 115 -11.201 -7.432 2.746 1.00 0.00 H new ATOM 517 N GLU A 116 -7.266 -6.947 2.232 1.00 0.00 N ATOM 518 CA GLU A 116 -6.368 -7.904 2.936 1.00 0.00 C ATOM 519 C GLU A 116 -5.616 -7.175 4.051 1.00 0.00 C ATOM 520 O GLU A 116 -4.434 -7.374 4.250 1.00 0.00 O ATOM 521 CB GLU A 116 -5.362 -8.492 1.941 1.00 0.00 C ATOM 522 CG GLU A 116 -5.039 -7.455 0.865 1.00 0.00 C ATOM 523 CD GLU A 116 -3.785 -7.884 0.101 1.00 0.00 C ATOM 524 OE1 GLU A 116 -3.104 -8.778 0.576 1.00 0.00 O ATOM 525 OE2 GLU A 116 -3.527 -7.312 -0.944 1.00 0.00 O ATOM 0 H GLU A 116 -6.793 -6.200 1.724 1.00 0.00 H new ATOM 0 HA GLU A 116 -6.964 -8.709 3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.451 -8.787 2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.772 -9.391 1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.879 -7.355 0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.882 -6.478 1.322 1.00 0.00 H new ATOM 532 N GLY A 117 -6.295 -6.335 4.784 1.00 0.00 N ATOM 533 CA GLY A 117 -5.620 -5.598 5.890 1.00 0.00 C ATOM 534 C GLY A 117 -5.306 -4.168 5.445 1.00 0.00 C ATOM 535 O GLY A 117 -6.147 -3.474 4.910 1.00 0.00 O ATOM 0 H GLY A 117 -7.287 -6.127 4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -6.260 -5.582 6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -4.701 -6.111 6.173 1.00 0.00 H new ATOM 539 N ASP A 118 -4.099 -3.724 5.665 1.00 0.00 N ATOM 540 CA ASP A 118 -3.726 -2.338 5.262 1.00 0.00 C ATOM 541 C ASP A 118 -2.812 -2.389 4.037 1.00 0.00 C ATOM 542 O ASP A 118 -1.994 -1.516 3.825 1.00 0.00 O ATOM 543 CB ASP A 118 -2.992 -1.653 6.416 1.00 0.00 C ATOM 544 CG ASP A 118 -3.965 -0.752 7.178 1.00 0.00 C ATOM 545 OD1 ASP A 118 -4.799 -1.283 7.891 1.00 0.00 O ATOM 546 OD2 ASP A 118 -3.860 0.455 7.034 1.00 0.00 O ATOM 0 H ASP A 118 -3.354 -4.262 6.107 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.628 -1.776 5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.571 -2.401 7.088 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.159 -1.064 6.032 1.00 0.00 H new ATOM 551 N TRP A 119 -2.940 -3.405 3.230 1.00 0.00 N ATOM 552 CA TRP A 119 -2.074 -3.507 2.020 1.00 0.00 C ATOM 553 C TRP A 119 -2.948 -3.721 0.783 1.00 0.00 C ATOM 554 O TRP A 119 -3.542 -4.766 0.604 1.00 0.00 O ATOM 555 CB TRP A 119 -1.114 -4.687 2.180 1.00 0.00 C ATOM 556 CG TRP A 119 -0.040 -4.322 3.154 1.00 0.00 C ATOM 557 CD1 TRP A 119 -0.053 -4.620 4.472 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.199 -3.596 2.910 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.099 -4.125 5.054 1.00 0.00 N ATOM 560 CE2 TRP A 119 1.903 -3.484 4.133 1.00 0.00 C ATOM 561 CE3 TRP A 119 1.775 -3.029 1.759 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.134 -2.833 4.210 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.015 -2.373 1.833 1.00 0.00 C ATOM 564 CH2 TRP A 119 3.693 -2.275 3.056 1.00 0.00 C ATOM 0 H TRP A 119 -3.605 -4.168 3.355 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.502 -2.587 1.903 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -1.655 -5.566 2.530 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -0.675 -4.946 1.217 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.836 -5.157 4.987 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.327 -4.222 6.043 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.261 -3.098 0.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.652 -2.760 5.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.448 -1.942 0.943 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.646 -1.769 3.107 1.00 0.00 H new ATOM 575 N TRP A 120 -3.033 -2.738 -0.070 1.00 0.00 N ATOM 576 CA TRP A 120 -3.870 -2.882 -1.295 1.00 0.00 C ATOM 577 C TRP A 120 -2.978 -3.230 -2.488 1.00 0.00 C ATOM 578 O TRP A 120 -1.794 -2.959 -2.493 1.00 0.00 O ATOM 579 CB TRP A 120 -4.588 -1.563 -1.582 1.00 0.00 C ATOM 580 CG TRP A 120 -5.477 -1.205 -0.437 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.697 -1.978 0.652 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.270 0.002 -0.249 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.575 -1.321 1.497 1.00 0.00 N ATOM 584 CE2 TRP A 120 -6.956 -0.096 0.985 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.456 1.162 -1.023 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -7.799 0.921 1.434 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -7.303 2.187 -0.574 1.00 0.00 C ATOM 588 CH2 TRP A 120 -7.973 2.067 0.652 1.00 0.00 C ATOM 0 H TRP A 120 -2.559 -1.840 0.028 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.601 -3.675 -1.137 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.858 -0.771 -1.748 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -5.176 -1.651 -2.496 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.259 -2.949 0.832 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -6.901 -1.696 2.388 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.944 1.264 -1.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.313 0.824 2.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.440 3.073 -1.176 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.623 2.859 0.992 1.00 0.00 H new ATOM 599 N GLU A 121 -3.543 -3.817 -3.507 1.00 0.00 N ATOM 600 CA GLU A 121 -2.734 -4.169 -4.707 1.00 0.00 C ATOM 601 C GLU A 121 -2.823 -3.019 -5.713 1.00 0.00 C ATOM 602 O GLU A 121 -3.869 -2.750 -6.269 1.00 0.00 O ATOM 603 CB GLU A 121 -3.283 -5.448 -5.342 1.00 0.00 C ATOM 604 CG GLU A 121 -3.840 -6.363 -4.249 1.00 0.00 C ATOM 605 CD GLU A 121 -3.971 -7.788 -4.790 1.00 0.00 C ATOM 606 OE1 GLU A 121 -3.797 -7.965 -5.985 1.00 0.00 O ATOM 607 OE2 GLU A 121 -4.241 -8.678 -4.000 1.00 0.00 O ATOM 0 H GLU A 121 -4.530 -4.068 -3.560 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.696 -4.333 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.066 -5.203 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.494 -5.960 -5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.181 -6.352 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.812 -5.999 -3.916 1.00 0.00 H new ATOM 614 N ALA A 122 -1.740 -2.329 -5.943 1.00 0.00 N ATOM 615 CA ALA A 122 -1.778 -1.192 -6.904 1.00 0.00 C ATOM 616 C ALA A 122 -0.862 -1.485 -8.093 1.00 0.00 C ATOM 617 O ALA A 122 0.206 -2.045 -7.945 1.00 0.00 O ATOM 618 CB ALA A 122 -1.309 0.084 -6.202 1.00 0.00 C ATOM 0 H ALA A 122 -0.834 -2.503 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.799 -1.059 -7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.336 0.917 -6.905 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.966 0.298 -5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.290 -0.053 -5.841 1.00 0.00 H new ATOM 624 N ARG A 123 -1.272 -1.105 -9.272 1.00 0.00 N ATOM 625 CA ARG A 123 -0.427 -1.353 -10.472 1.00 0.00 C ATOM 626 C ARG A 123 0.214 -0.038 -10.917 1.00 0.00 C ATOM 627 O ARG A 123 -0.439 0.984 -10.999 1.00 0.00 O ATOM 628 CB ARG A 123 -1.295 -1.907 -11.603 1.00 0.00 C ATOM 629 CG ARG A 123 -0.446 -2.070 -12.865 1.00 0.00 C ATOM 630 CD ARG A 123 -1.295 -1.752 -14.097 1.00 0.00 C ATOM 631 NE ARG A 123 -1.042 -2.774 -15.151 1.00 0.00 N ATOM 632 CZ ARG A 123 -1.880 -2.909 -16.141 1.00 0.00 C ATOM 633 NH1 ARG A 123 -3.165 -2.823 -15.927 1.00 0.00 N ATOM 634 NH2 ARG A 123 -1.434 -3.133 -17.347 1.00 0.00 N ATOM 0 H ARG A 123 -2.157 -0.633 -9.455 1.00 0.00 H new ATOM 0 HA ARG A 123 0.352 -2.076 -10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.721 -2.867 -11.312 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.130 -1.234 -11.798 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.417 -1.405 -12.824 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.062 -3.088 -12.928 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.352 -1.742 -13.831 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.052 -0.758 -14.473 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.214 -3.368 -15.098 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -3.515 -2.650 -14.985 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -3.819 -2.929 -16.702 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -0.430 -3.202 -17.515 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -2.089 -3.239 -18.122 1.00 0.00 H new ATOM 648 N SER A 124 1.487 -0.052 -11.199 1.00 0.00 N ATOM 649 CA SER A 124 2.167 1.199 -11.636 1.00 0.00 C ATOM 650 C SER A 124 1.911 1.426 -13.127 1.00 0.00 C ATOM 651 O SER A 124 2.445 0.735 -13.971 1.00 0.00 O ATOM 652 CB SER A 124 3.671 1.073 -11.388 1.00 0.00 C ATOM 653 OG SER A 124 3.896 0.751 -10.022 1.00 0.00 O ATOM 0 H SER A 124 2.086 -0.876 -11.146 1.00 0.00 H new ATOM 0 HA SER A 124 1.775 2.044 -11.069 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.094 0.300 -12.030 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.173 2.007 -11.641 1.00 0.00 H new ATOM 0 HG SER A 124 4.859 0.668 -9.860 1.00 0.00 H new ATOM 659 N LEU A 125 1.096 2.390 -13.457 1.00 0.00 N ATOM 660 CA LEU A 125 0.806 2.660 -14.894 1.00 0.00 C ATOM 661 C LEU A 125 2.059 3.219 -15.572 1.00 0.00 C ATOM 662 O LEU A 125 2.191 3.184 -16.779 1.00 0.00 O ATOM 663 CB LEU A 125 -0.332 3.677 -15.002 1.00 0.00 C ATOM 664 CG LEU A 125 -1.584 3.114 -14.326 1.00 0.00 C ATOM 665 CD1 LEU A 125 -2.253 4.210 -13.495 1.00 0.00 C ATOM 666 CD2 LEU A 125 -2.559 2.618 -15.394 1.00 0.00 C ATOM 0 H LEU A 125 0.619 3.002 -12.795 1.00 0.00 H new ATOM 0 HA LEU A 125 0.512 1.733 -15.386 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.041 4.616 -14.530 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.539 3.898 -16.049 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.304 2.286 -13.675 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.145 3.808 -13.014 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.558 4.565 -12.734 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.533 5.039 -14.145 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -3.451 2.217 -14.914 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -2.839 3.447 -16.044 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -2.083 1.836 -15.986 1.00 0.00 H new ATOM 678 N THR A 126 2.981 3.733 -14.804 1.00 0.00 N ATOM 679 CA THR A 126 4.225 4.289 -15.406 1.00 0.00 C ATOM 680 C THR A 126 5.098 3.142 -15.921 1.00 0.00 C ATOM 681 O THR A 126 5.541 3.145 -17.052 1.00 0.00 O ATOM 682 CB THR A 126 4.996 5.082 -14.349 1.00 0.00 C ATOM 683 OG1 THR A 126 4.148 6.078 -13.795 1.00 0.00 O ATOM 684 CG2 THR A 126 6.213 5.747 -14.995 1.00 0.00 C ATOM 0 H THR A 126 2.926 3.792 -13.787 1.00 0.00 H new ATOM 0 HA THR A 126 3.964 4.948 -16.234 1.00 0.00 H new ATOM 0 HB THR A 126 5.329 4.408 -13.560 1.00 0.00 H new ATOM 0 HG1 THR A 126 4.403 6.243 -12.863 1.00 0.00 H new ATOM 0 HG21 THR A 126 6.762 6.312 -14.241 1.00 0.00 H new ATOM 0 HG22 THR A 126 6.863 4.982 -15.420 1.00 0.00 H new ATOM 0 HG23 THR A 126 5.883 6.422 -15.785 1.00 0.00 H new ATOM 692 N THR A 127 5.346 2.161 -15.098 1.00 0.00 N ATOM 693 CA THR A 127 6.188 1.013 -15.539 1.00 0.00 C ATOM 694 C THR A 127 5.289 -0.174 -15.888 1.00 0.00 C ATOM 695 O THR A 127 5.374 -0.738 -16.961 1.00 0.00 O ATOM 696 CB THR A 127 7.139 0.613 -14.409 1.00 0.00 C ATOM 697 OG1 THR A 127 6.467 0.732 -13.163 1.00 0.00 O ATOM 698 CG2 THR A 127 8.363 1.527 -14.420 1.00 0.00 C ATOM 0 H THR A 127 5.002 2.104 -14.139 1.00 0.00 H new ATOM 0 HA THR A 127 6.766 1.304 -16.416 1.00 0.00 H new ATOM 0 HB THR A 127 7.460 -0.419 -14.553 1.00 0.00 H new ATOM 0 HG1 THR A 127 7.074 0.475 -12.438 1.00 0.00 H new ATOM 0 HG21 THR A 127 9.039 1.240 -13.614 1.00 0.00 H new ATOM 0 HG22 THR A 127 8.878 1.434 -15.376 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.047 2.560 -14.278 1.00 0.00 H new ATOM 706 N GLY A 128 4.428 -0.557 -14.986 1.00 0.00 N ATOM 707 CA GLY A 128 3.523 -1.710 -15.260 1.00 0.00 C ATOM 708 C GLY A 128 3.722 -2.780 -14.186 1.00 0.00 C ATOM 709 O GLY A 128 3.012 -3.764 -14.138 1.00 0.00 O ATOM 0 H GLY A 128 4.312 -0.122 -14.071 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.485 -1.377 -15.269 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.733 -2.125 -16.246 1.00 0.00 H new ATOM 713 N GLU A 129 4.685 -2.597 -13.322 1.00 0.00 N ATOM 714 CA GLU A 129 4.929 -3.606 -12.253 1.00 0.00 C ATOM 715 C GLU A 129 3.774 -3.581 -11.249 1.00 0.00 C ATOM 716 O GLU A 129 3.458 -2.557 -10.677 1.00 0.00 O ATOM 717 CB GLU A 129 6.237 -3.278 -11.530 1.00 0.00 C ATOM 718 CG GLU A 129 7.408 -3.918 -12.279 1.00 0.00 C ATOM 719 CD GLU A 129 8.585 -4.106 -11.319 1.00 0.00 C ATOM 720 OE1 GLU A 129 8.498 -4.982 -10.473 1.00 0.00 O ATOM 721 OE2 GLU A 129 9.551 -3.374 -11.447 1.00 0.00 O ATOM 0 H GLU A 129 5.312 -1.793 -13.311 1.00 0.00 H new ATOM 0 HA GLU A 129 4.998 -4.597 -12.702 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.373 -2.198 -11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.201 -3.648 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.106 -4.880 -12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.705 -3.288 -13.117 1.00 0.00 H new ATOM 728 N THR A 130 3.144 -4.703 -11.028 1.00 0.00 N ATOM 729 CA THR A 130 2.015 -4.747 -10.056 1.00 0.00 C ATOM 730 C THR A 130 2.529 -5.255 -8.708 1.00 0.00 C ATOM 731 O THR A 130 3.320 -6.174 -8.643 1.00 0.00 O ATOM 732 CB THR A 130 0.929 -5.692 -10.578 1.00 0.00 C ATOM 733 OG1 THR A 130 1.498 -6.587 -11.524 1.00 0.00 O ATOM 734 CG2 THR A 130 -0.183 -4.880 -11.244 1.00 0.00 C ATOM 0 H THR A 130 3.363 -5.591 -11.479 1.00 0.00 H new ATOM 0 HA THR A 130 1.597 -3.748 -9.935 1.00 0.00 H new ATOM 0 HB THR A 130 0.511 -6.259 -9.746 1.00 0.00 H new ATOM 0 HG1 THR A 130 0.805 -7.194 -11.858 1.00 0.00 H new ATOM 0 HG21 THR A 130 -0.954 -5.555 -11.615 1.00 0.00 H new ATOM 0 HG22 THR A 130 -0.619 -4.195 -10.517 1.00 0.00 H new ATOM 0 HG23 THR A 130 0.231 -4.310 -12.076 1.00 0.00 H new ATOM 742 N GLY A 131 2.089 -4.665 -7.630 1.00 0.00 N ATOM 743 CA GLY A 131 2.560 -5.121 -6.292 1.00 0.00 C ATOM 744 C GLY A 131 1.592 -4.639 -5.212 1.00 0.00 C ATOM 745 O GLY A 131 0.502 -4.185 -5.500 1.00 0.00 O ATOM 0 H GLY A 131 1.426 -3.890 -7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.630 -6.209 -6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.560 -4.734 -6.097 1.00 0.00 H new ATOM 749 N TYR A 132 1.981 -4.736 -3.969 1.00 0.00 N ATOM 750 CA TYR A 132 1.082 -4.287 -2.868 1.00 0.00 C ATOM 751 C TYR A 132 1.672 -3.050 -2.188 1.00 0.00 C ATOM 752 O TYR A 132 2.765 -3.082 -1.659 1.00 0.00 O ATOM 753 CB TYR A 132 0.946 -5.406 -1.830 1.00 0.00 C ATOM 754 CG TYR A 132 0.303 -6.627 -2.452 1.00 0.00 C ATOM 755 CD1 TYR A 132 -0.326 -6.541 -3.702 1.00 0.00 C ATOM 756 CD2 TYR A 132 0.335 -7.850 -1.770 1.00 0.00 C ATOM 757 CE1 TYR A 132 -0.918 -7.676 -4.267 1.00 0.00 C ATOM 758 CE2 TYR A 132 -0.258 -8.985 -2.336 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.885 -8.898 -3.584 1.00 0.00 C ATOM 760 OH TYR A 132 -1.470 -10.016 -4.142 1.00 0.00 O ATOM 0 H TYR A 132 2.883 -5.107 -3.669 1.00 0.00 H new ATOM 0 HA TYR A 132 0.104 -4.045 -3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 132 1.928 -5.666 -1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.346 -5.060 -0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -0.354 -5.599 -4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.818 -7.918 -0.806 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -1.401 -7.609 -5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -0.232 -9.928 -1.809 1.00 0.00 H new ATOM 0 HH TYR A 132 -2.440 -9.885 -4.197 1.00 0.00 H new ATOM 770 N ILE A 133 0.952 -1.962 -2.185 1.00 0.00 N ATOM 771 CA ILE A 133 1.467 -0.730 -1.524 1.00 0.00 C ATOM 772 C ILE A 133 0.579 -0.407 -0.319 1.00 0.00 C ATOM 773 O ILE A 133 -0.573 -0.792 -0.282 1.00 0.00 O ATOM 774 CB ILE A 133 1.437 0.440 -2.511 1.00 0.00 C ATOM 775 CG1 ILE A 133 0.002 0.662 -2.996 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.334 0.125 -3.708 1.00 0.00 C ATOM 777 CD1 ILE A 133 -0.011 1.756 -4.065 1.00 0.00 C ATOM 0 H ILE A 133 0.030 -1.873 -2.612 1.00 0.00 H new ATOM 0 HA ILE A 133 2.494 -0.891 -1.196 1.00 0.00 H new ATOM 0 HB ILE A 133 1.798 1.341 -2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.403 -0.264 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.636 0.948 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.311 0.959 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.357 -0.033 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.975 -0.776 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.032 1.915 -4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 133 0.377 2.683 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 133 0.613 1.451 -4.905 1.00 0.00 H new ATOM 789 N PRO A 134 1.142 0.289 0.636 1.00 0.00 N ATOM 790 CA PRO A 134 0.413 0.670 1.859 1.00 0.00 C ATOM 791 C PRO A 134 -0.814 1.515 1.504 1.00 0.00 C ATOM 792 O PRO A 134 -0.711 2.540 0.862 1.00 0.00 O ATOM 793 CB PRO A 134 1.422 1.488 2.678 1.00 0.00 C ATOM 794 CG PRO A 134 2.745 1.549 1.871 1.00 0.00 C ATOM 795 CD PRO A 134 2.539 0.752 0.574 1.00 0.00 C ATOM 0 HA PRO A 134 0.046 -0.195 2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.040 2.492 2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.589 1.026 3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 134 3.009 2.583 1.647 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.567 1.129 2.451 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.711 1.374 -0.304 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.232 -0.087 0.511 1.00 0.00 H new ATOM 803 N SER A 135 -1.979 1.092 1.920 1.00 0.00 N ATOM 804 CA SER A 135 -3.209 1.872 1.608 1.00 0.00 C ATOM 805 C SER A 135 -3.064 3.284 2.178 1.00 0.00 C ATOM 806 O SER A 135 -3.526 4.249 1.603 1.00 0.00 O ATOM 807 CB SER A 135 -4.422 1.188 2.238 1.00 0.00 C ATOM 808 OG SER A 135 -4.558 1.620 3.586 1.00 0.00 O ATOM 0 H SER A 135 -2.130 0.241 2.462 1.00 0.00 H new ATOM 0 HA SER A 135 -3.347 1.924 0.528 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.323 1.429 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.303 0.105 2.201 1.00 0.00 H new ATOM 0 HG SER A 135 -5.336 1.184 3.992 1.00 0.00 H new ATOM 814 N ASN A 136 -2.418 3.410 3.305 1.00 0.00 N ATOM 815 CA ASN A 136 -2.234 4.758 3.911 1.00 0.00 C ATOM 816 C ASN A 136 -1.259 5.563 3.051 1.00 0.00 C ATOM 817 O ASN A 136 -1.304 6.777 3.012 1.00 0.00 O ATOM 818 CB ASN A 136 -1.663 4.607 5.323 1.00 0.00 C ATOM 819 CG ASN A 136 -2.447 3.533 6.079 1.00 0.00 C ATOM 820 OD1 ASN A 136 -3.582 3.249 5.753 1.00 0.00 O ATOM 821 ND2 ASN A 136 -1.883 2.916 7.082 1.00 0.00 N ATOM 0 H ASN A 136 -2.010 2.638 3.832 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.193 5.274 3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -0.609 4.335 5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.722 5.557 5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -2.396 2.196 7.591 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -0.930 3.154 7.356 1.00 0.00 H new ATOM 828 N TYR A 137 -0.380 4.893 2.359 1.00 0.00 N ATOM 829 CA TYR A 137 0.599 5.611 1.495 1.00 0.00 C ATOM 830 C TYR A 137 -0.082 6.029 0.190 1.00 0.00 C ATOM 831 O TYR A 137 0.544 6.568 -0.701 1.00 0.00 O ATOM 832 CB TYR A 137 1.772 4.681 1.175 1.00 0.00 C ATOM 833 CG TYR A 137 2.940 5.004 2.074 1.00 0.00 C ATOM 834 CD1 TYR A 137 3.056 4.380 3.320 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.911 5.924 1.658 1.00 0.00 C ATOM 836 CE1 TYR A 137 4.141 4.676 4.153 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.996 6.221 2.491 1.00 0.00 C ATOM 838 CZ TYR A 137 5.111 5.597 3.739 1.00 0.00 C ATOM 839 OH TYR A 137 6.181 5.887 4.559 1.00 0.00 O ATOM 0 H TYR A 137 -0.297 3.876 2.354 1.00 0.00 H new ATOM 0 HA TYR A 137 0.963 6.496 2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.472 3.642 1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 137 2.063 4.794 0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 137 2.308 3.669 3.640 1.00 0.00 H new ATOM 0 HD2 TYR A 137 3.822 6.404 0.695 1.00 0.00 H new ATOM 0 HE1 TYR A 137 4.230 4.194 5.115 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.744 6.931 2.171 1.00 0.00 H new ATOM 0 HH TYR A 137 6.761 6.544 4.120 1.00 0.00 H new ATOM 849 N VAL A 138 -1.359 5.782 0.066 1.00 0.00 N ATOM 850 CA VAL A 138 -2.072 6.164 -1.186 1.00 0.00 C ATOM 851 C VAL A 138 -3.382 6.871 -0.832 1.00 0.00 C ATOM 852 O VAL A 138 -3.932 6.683 0.235 1.00 0.00 O ATOM 853 CB VAL A 138 -2.378 4.907 -2.004 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.074 4.315 -2.540 1.00 0.00 C ATOM 855 CG2 VAL A 138 -3.075 3.876 -1.112 1.00 0.00 C ATOM 0 H VAL A 138 -1.937 5.333 0.776 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.443 6.835 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 138 -3.029 5.168 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.293 3.420 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.576 5.048 -3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.423 4.055 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.293 2.980 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.423 3.617 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -4.005 4.296 -0.729 1.00 0.00 H new ATOM 865 N ALA A 139 -3.885 7.684 -1.720 1.00 0.00 N ATOM 866 CA ALA A 139 -5.160 8.401 -1.435 1.00 0.00 C ATOM 867 C ALA A 139 -5.881 8.698 -2.756 1.00 0.00 C ATOM 868 O ALA A 139 -5.252 9.042 -3.737 1.00 0.00 O ATOM 869 CB ALA A 139 -4.853 9.716 -0.715 1.00 0.00 C ATOM 0 H ALA A 139 -3.469 7.883 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.796 7.781 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.784 10.242 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.336 9.506 0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.219 10.338 -1.347 1.00 0.00 H new ATOM 875 N PRO A 140 -7.184 8.556 -2.744 1.00 0.00 N ATOM 876 CA PRO A 140 -8.009 8.804 -3.940 1.00 0.00 C ATOM 877 C PRO A 140 -7.878 10.265 -4.381 1.00 0.00 C ATOM 878 O PRO A 140 -7.802 11.164 -3.567 1.00 0.00 O ATOM 879 CB PRO A 140 -9.448 8.509 -3.494 1.00 0.00 C ATOM 880 CG PRO A 140 -9.402 8.084 -2.004 1.00 0.00 C ATOM 881 CD PRO A 140 -7.935 8.136 -1.548 1.00 0.00 C ATOM 0 HA PRO A 140 -7.705 8.187 -4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.076 9.391 -3.621 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.883 7.717 -4.104 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.015 8.750 -1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -9.806 7.079 -1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -7.800 8.842 -0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.597 7.163 -1.190 1.00 0.00 H new ATOM 889 N VAL A 141 -7.854 10.509 -5.663 1.00 0.00 N ATOM 890 CA VAL A 141 -7.732 11.911 -6.150 1.00 0.00 C ATOM 891 C VAL A 141 -9.126 12.536 -6.248 1.00 0.00 C ATOM 892 O VAL A 141 -10.084 11.787 -6.336 1.00 0.00 O ATOM 893 CB VAL A 141 -7.073 11.918 -7.530 1.00 0.00 C ATOM 894 CG1 VAL A 141 -7.947 11.142 -8.516 1.00 0.00 C ATOM 895 CG2 VAL A 141 -6.921 13.363 -8.012 1.00 0.00 C ATOM 896 OXT VAL A 141 -9.209 13.754 -6.231 1.00 0.00 O ATOM 0 H VAL A 141 -7.914 9.799 -6.393 1.00 0.00 H new ATOM 0 HA VAL A 141 -7.121 12.486 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.091 11.449 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.478 11.147 -9.500 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.059 10.114 -8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.929 11.612 -8.580 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -6.451 13.371 -8.996 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -7.904 13.831 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -6.300 13.918 -7.309 1.00 0.00 H new TER 906 VAL A 141