USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 130:sc= -2.2! USER MOD Single : A 97 THR OG1 : rot -152:sc= 0.348 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.523 K(o=-0.52,f=-1.6!) USER MOD Single : A 105 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.159) USER MOD Single : A 108 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.16) USER MOD Single : A 110 GLN : amide:sc= -2.06! C(o=-2.1!,f=-5.2!) USER MOD Single : A 113 ASN : amide:sc= -0.0405 X(o=-0.041,f=-0.36) USER MOD Single : A 114 SER OG : rot 148:sc= -3.64! USER MOD Single : A 124 SER OG : rot 110:sc= -0.457 USER MOD Single : A 126 THR OG1 : rot 159:sc= 1.22 USER MOD Single : A 127 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot -39:sc= 0.0864 USER MOD Single : A 135 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 136 ASN : amide:sc= -0.835 K(o=-0.84,f=-0.18) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 86 -7.909 5.981 -9.724 1.00 0.00 N ATOM 34 CA LEU A 86 -6.553 6.595 -9.798 1.00 0.00 C ATOM 35 C LEU A 86 -6.180 7.187 -8.439 1.00 0.00 C ATOM 36 O LEU A 86 -6.600 8.272 -8.086 1.00 0.00 O ATOM 37 CB LEU A 86 -6.551 7.703 -10.852 1.00 0.00 C ATOM 38 CG LEU A 86 -6.054 7.140 -12.184 1.00 0.00 C ATOM 39 CD1 LEU A 86 -4.629 6.611 -12.013 1.00 0.00 C ATOM 40 CD2 LEU A 86 -6.972 5.997 -12.625 1.00 0.00 C ATOM 0 HA LEU A 86 -5.826 5.830 -10.071 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.555 8.110 -10.969 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.910 8.524 -10.530 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.062 7.927 -12.939 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.274 6.209 -12.962 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.975 7.423 -11.695 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.621 5.823 -11.260 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.620 5.593 -13.574 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.962 5.210 -11.870 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.988 6.372 -12.744 1.00 0.00 H new ATOM 52 N PHE A 87 -5.388 6.486 -7.674 1.00 0.00 N ATOM 53 CA PHE A 87 -4.983 7.013 -6.341 1.00 0.00 C ATOM 54 C PHE A 87 -3.613 7.684 -6.461 1.00 0.00 C ATOM 55 O PHE A 87 -2.976 7.634 -7.493 1.00 0.00 O ATOM 56 CB PHE A 87 -4.903 5.860 -5.339 1.00 0.00 C ATOM 57 CG PHE A 87 -6.292 5.521 -4.853 1.00 0.00 C ATOM 58 CD1 PHE A 87 -7.332 5.342 -5.773 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.539 5.388 -3.482 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.619 5.028 -5.320 1.00 0.00 C ATOM 61 CE2 PHE A 87 -7.826 5.075 -3.030 1.00 0.00 C ATOM 62 CZ PHE A 87 -8.866 4.895 -3.949 1.00 0.00 C ATOM 0 H PHE A 87 -5.005 5.572 -7.915 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.717 7.740 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.447 4.988 -5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.269 6.138 -4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.142 5.446 -6.831 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.736 5.527 -2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.422 4.888 -6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.017 4.972 -1.972 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.859 4.653 -3.600 1.00 0.00 H new ATOM 72 N VAL A 88 -3.157 8.314 -5.414 1.00 0.00 N ATOM 73 CA VAL A 88 -1.829 8.990 -5.475 1.00 0.00 C ATOM 74 C VAL A 88 -1.031 8.657 -4.214 1.00 0.00 C ATOM 75 O VAL A 88 -1.581 8.516 -3.140 1.00 0.00 O ATOM 76 CB VAL A 88 -2.017 10.509 -5.567 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.956 11.098 -6.497 1.00 0.00 C ATOM 78 CG2 VAL A 88 -3.409 10.832 -6.119 1.00 0.00 C ATOM 0 H VAL A 88 -3.644 8.390 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.292 8.640 -6.356 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.916 10.941 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.089 12.178 -6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.036 10.878 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.058 10.659 -7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.534 11.913 -6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.516 10.397 -7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.168 10.416 -5.457 1.00 0.00 H new ATOM 88 N ALA A 89 0.262 8.535 -4.334 1.00 0.00 N ATOM 89 CA ALA A 89 1.096 8.215 -3.141 1.00 0.00 C ATOM 90 C ALA A 89 1.339 9.493 -2.336 1.00 0.00 C ATOM 91 O ALA A 89 1.992 10.411 -2.789 1.00 0.00 O ATOM 92 CB ALA A 89 2.435 7.634 -3.598 1.00 0.00 C ATOM 0 H ALA A 89 0.778 8.643 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 89 0.579 7.486 -2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.046 7.399 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.260 6.725 -4.174 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.955 8.363 -4.220 1.00 0.00 H new ATOM 98 N LEU A 90 0.812 9.561 -1.143 1.00 0.00 N ATOM 99 CA LEU A 90 1.005 10.781 -0.310 1.00 0.00 C ATOM 100 C LEU A 90 2.466 10.879 0.140 1.00 0.00 C ATOM 101 O LEU A 90 2.917 11.916 0.583 1.00 0.00 O ATOM 102 CB LEU A 90 0.097 10.706 0.919 1.00 0.00 C ATOM 103 CG LEU A 90 -1.361 10.590 0.472 1.00 0.00 C ATOM 104 CD1 LEU A 90 -1.968 9.303 1.032 1.00 0.00 C ATOM 105 CD2 LEU A 90 -2.151 11.794 0.991 1.00 0.00 C ATOM 0 H LEU A 90 0.256 8.824 -0.710 1.00 0.00 H new ATOM 0 HA LEU A 90 0.752 11.662 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.369 9.848 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.229 11.594 1.536 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.405 10.567 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.007 9.222 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.407 8.445 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.924 9.324 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.190 11.712 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.106 11.817 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.720 12.712 0.591 1.00 0.00 H new ATOM 117 N TYR A 91 3.210 9.811 0.034 1.00 0.00 N ATOM 118 CA TYR A 91 4.638 9.857 0.462 1.00 0.00 C ATOM 119 C TYR A 91 5.455 8.850 -0.350 1.00 0.00 C ATOM 120 O TYR A 91 4.919 8.056 -1.098 1.00 0.00 O ATOM 121 CB TYR A 91 4.739 9.513 1.949 1.00 0.00 C ATOM 122 CG TYR A 91 3.630 10.202 2.706 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.724 11.566 3.001 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.506 9.473 3.114 1.00 0.00 C ATOM 125 CE1 TYR A 91 2.695 12.203 3.705 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.477 10.110 3.818 1.00 0.00 C ATOM 127 CZ TYR A 91 1.571 11.474 4.113 1.00 0.00 C ATOM 128 OH TYR A 91 0.557 12.102 4.808 1.00 0.00 O ATOM 0 H TYR A 91 2.893 8.912 -0.329 1.00 0.00 H new ATOM 0 HA TYR A 91 5.030 10.860 0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.672 8.434 2.088 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.708 9.825 2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.591 12.128 2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.433 8.420 2.886 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.768 13.256 3.933 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.610 9.548 4.133 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.148 11.454 5.014 1.00 0.00 H new ATOM 138 N ASP A 92 6.753 8.877 -0.205 1.00 0.00 N ATOM 139 CA ASP A 92 7.613 7.925 -0.964 1.00 0.00 C ATOM 140 C ASP A 92 7.811 6.649 -0.141 1.00 0.00 C ATOM 141 O ASP A 92 7.906 6.690 1.069 1.00 0.00 O ATOM 142 CB ASP A 92 8.972 8.574 -1.233 1.00 0.00 C ATOM 143 CG ASP A 92 9.901 7.562 -1.907 1.00 0.00 C ATOM 144 OD1 ASP A 92 10.131 6.518 -1.321 1.00 0.00 O ATOM 145 OD2 ASP A 92 10.365 7.850 -2.998 1.00 0.00 O ATOM 0 H ASP A 92 7.255 9.519 0.408 1.00 0.00 H new ATOM 0 HA ASP A 92 7.134 7.675 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 92 8.848 9.450 -1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.412 8.920 -0.298 1.00 0.00 H new ATOM 150 N TYR A 93 7.874 5.517 -0.788 1.00 0.00 N ATOM 151 CA TYR A 93 8.066 4.244 -0.038 1.00 0.00 C ATOM 152 C TYR A 93 9.093 3.370 -0.761 1.00 0.00 C ATOM 153 O TYR A 93 9.398 3.581 -1.918 1.00 0.00 O ATOM 154 CB TYR A 93 6.734 3.497 0.047 1.00 0.00 C ATOM 155 CG TYR A 93 6.937 2.193 0.781 1.00 0.00 C ATOM 156 CD1 TYR A 93 7.172 2.195 2.160 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.893 0.982 0.079 1.00 0.00 C ATOM 158 CE1 TYR A 93 7.362 0.985 2.840 1.00 0.00 C ATOM 159 CE2 TYR A 93 7.081 -0.227 0.758 1.00 0.00 C ATOM 160 CZ TYR A 93 7.317 -0.227 2.139 1.00 0.00 C ATOM 161 OH TYR A 93 7.504 -1.418 2.807 1.00 0.00 O ATOM 0 H TYR A 93 7.801 5.419 -1.801 1.00 0.00 H new ATOM 0 HA TYR A 93 8.425 4.468 0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.994 4.107 0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.346 3.307 -0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.207 3.129 2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.714 0.981 -0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.543 0.987 3.905 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.044 -1.161 0.217 1.00 0.00 H new ATOM 0 HH TYR A 93 6.783 -2.040 2.575 1.00 0.00 H new ATOM 171 N GLU A 94 9.627 2.388 -0.086 1.00 0.00 N ATOM 172 CA GLU A 94 10.632 1.497 -0.733 1.00 0.00 C ATOM 173 C GLU A 94 10.197 0.039 -0.568 1.00 0.00 C ATOM 174 O GLU A 94 9.965 -0.429 0.528 1.00 0.00 O ATOM 175 CB GLU A 94 11.997 1.701 -0.072 1.00 0.00 C ATOM 176 CG GLU A 94 11.821 1.793 1.445 1.00 0.00 C ATOM 177 CD GLU A 94 13.105 1.331 2.138 1.00 0.00 C ATOM 178 OE1 GLU A 94 13.659 0.332 1.710 1.00 0.00 O ATOM 179 OE2 GLU A 94 13.512 1.984 3.083 1.00 0.00 O ATOM 0 H GLU A 94 9.411 2.164 0.885 1.00 0.00 H new ATOM 0 HA GLU A 94 10.704 1.738 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.661 0.874 -0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.464 2.610 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.589 2.818 1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.981 1.175 1.762 1.00 0.00 H new ATOM 186 N ALA A 95 10.083 -0.679 -1.650 1.00 0.00 N ATOM 187 CA ALA A 95 9.658 -2.104 -1.558 1.00 0.00 C ATOM 188 C ALA A 95 10.609 -2.867 -0.632 1.00 0.00 C ATOM 189 O ALA A 95 11.741 -3.144 -0.979 1.00 0.00 O ATOM 190 CB ALA A 95 9.688 -2.735 -2.951 1.00 0.00 C ATOM 0 H ALA A 95 10.266 -0.341 -2.595 1.00 0.00 H new ATOM 0 HA ALA A 95 8.646 -2.154 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.377 -3.778 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.008 -2.195 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.700 -2.683 -3.352 1.00 0.00 H new ATOM 196 N ARG A 96 10.156 -3.214 0.542 1.00 0.00 N ATOM 197 CA ARG A 96 11.031 -3.963 1.487 1.00 0.00 C ATOM 198 C ARG A 96 10.905 -5.462 1.213 1.00 0.00 C ATOM 199 O ARG A 96 11.738 -6.251 1.615 1.00 0.00 O ATOM 200 CB ARG A 96 10.598 -3.672 2.926 1.00 0.00 C ATOM 201 CG ARG A 96 10.269 -2.185 3.071 1.00 0.00 C ATOM 202 CD ARG A 96 9.764 -1.911 4.489 1.00 0.00 C ATOM 203 NE ARG A 96 8.668 -2.866 4.818 1.00 0.00 N ATOM 204 CZ ARG A 96 8.884 -3.845 5.654 1.00 0.00 C ATOM 205 NH1 ARG A 96 9.397 -3.598 6.828 1.00 0.00 N ATOM 206 NH2 ARG A 96 8.587 -5.069 5.316 1.00 0.00 N ATOM 0 H ARG A 96 9.218 -3.011 0.887 1.00 0.00 H new ATOM 0 HA ARG A 96 12.066 -3.651 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.727 -4.275 3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.393 -3.948 3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.155 -1.584 2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.512 -1.896 2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.580 -2.017 5.204 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.403 -0.885 4.566 1.00 0.00 H new ATOM 0 HE ARG A 96 7.749 -2.755 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.629 -2.640 7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.566 -4.362 7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.186 -5.262 4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.756 -5.834 5.969 1.00 0.00 H new ATOM 220 N THR A 97 9.868 -5.862 0.529 1.00 0.00 N ATOM 221 CA THR A 97 9.687 -7.310 0.227 1.00 0.00 C ATOM 222 C THR A 97 9.805 -7.533 -1.282 1.00 0.00 C ATOM 223 O THR A 97 10.123 -6.630 -2.029 1.00 0.00 O ATOM 224 CB THR A 97 8.304 -7.762 0.702 1.00 0.00 C ATOM 225 OG1 THR A 97 7.305 -7.135 -0.090 1.00 0.00 O ATOM 226 CG2 THR A 97 8.113 -7.372 2.169 1.00 0.00 C ATOM 0 H THR A 97 9.138 -5.249 0.166 1.00 0.00 H new ATOM 0 HA THR A 97 10.454 -7.888 0.742 1.00 0.00 H new ATOM 0 HB THR A 97 8.222 -8.844 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.484 -7.037 0.436 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.128 -7.694 2.506 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.880 -7.853 2.776 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.195 -6.290 2.272 1.00 0.00 H new ATOM 234 N GLU A 98 9.550 -8.729 -1.736 1.00 0.00 N ATOM 235 CA GLU A 98 9.648 -9.008 -3.196 1.00 0.00 C ATOM 236 C GLU A 98 8.284 -8.780 -3.854 1.00 0.00 C ATOM 237 O GLU A 98 8.137 -8.899 -5.054 1.00 0.00 O ATOM 238 CB GLU A 98 10.080 -10.460 -3.410 1.00 0.00 C ATOM 239 CG GLU A 98 11.609 -10.540 -3.438 1.00 0.00 C ATOM 240 CD GLU A 98 12.139 -9.787 -4.660 1.00 0.00 C ATOM 241 OE1 GLU A 98 11.410 -9.688 -5.633 1.00 0.00 O ATOM 242 OE2 GLU A 98 13.265 -9.321 -4.601 1.00 0.00 O ATOM 0 H GLU A 98 9.278 -9.525 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 98 10.383 -8.339 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.687 -11.089 -2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.668 -10.839 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.023 -10.110 -2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.928 -11.582 -3.473 1.00 0.00 H new ATOM 249 N ASP A 99 7.284 -8.456 -3.079 1.00 0.00 N ATOM 250 CA ASP A 99 5.933 -8.224 -3.663 1.00 0.00 C ATOM 251 C ASP A 99 5.547 -6.753 -3.499 1.00 0.00 C ATOM 252 O ASP A 99 4.684 -6.247 -4.189 1.00 0.00 O ATOM 253 CB ASP A 99 4.909 -9.103 -2.940 1.00 0.00 C ATOM 254 CG ASP A 99 5.353 -10.566 -3.008 1.00 0.00 C ATOM 255 OD1 ASP A 99 5.166 -11.172 -4.050 1.00 0.00 O ATOM 256 OD2 ASP A 99 5.871 -11.054 -2.018 1.00 0.00 O ATOM 0 H ASP A 99 7.345 -8.342 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 99 5.949 -8.477 -4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.814 -8.789 -1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.927 -8.988 -3.399 1.00 0.00 H new ATOM 261 N ASP A 100 6.178 -6.061 -2.590 1.00 0.00 N ATOM 262 CA ASP A 100 5.845 -4.623 -2.383 1.00 0.00 C ATOM 263 C ASP A 100 6.373 -3.804 -3.563 1.00 0.00 C ATOM 264 O ASP A 100 7.188 -4.266 -4.336 1.00 0.00 O ATOM 265 CB ASP A 100 6.494 -4.131 -1.088 1.00 0.00 C ATOM 266 CG ASP A 100 5.735 -4.704 0.111 1.00 0.00 C ATOM 267 OD1 ASP A 100 5.096 -5.730 -0.053 1.00 0.00 O ATOM 268 OD2 ASP A 100 5.808 -4.107 1.173 1.00 0.00 O ATOM 0 H ASP A 100 6.910 -6.429 -1.982 1.00 0.00 H new ATOM 0 HA ASP A 100 4.764 -4.505 -2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.539 -4.439 -1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.482 -3.042 -1.053 1.00 0.00 H new ATOM 273 N LEU A 101 5.913 -2.591 -3.709 1.00 0.00 N ATOM 274 CA LEU A 101 6.388 -1.746 -4.841 1.00 0.00 C ATOM 275 C LEU A 101 7.203 -0.571 -4.298 1.00 0.00 C ATOM 276 O LEU A 101 7.191 -0.285 -3.116 1.00 0.00 O ATOM 277 CB LEU A 101 5.183 -1.209 -5.616 1.00 0.00 C ATOM 278 CG LEU A 101 4.295 -2.373 -6.057 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.836 -2.053 -5.730 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.441 -2.584 -7.566 1.00 0.00 C ATOM 0 H LEU A 101 5.230 -2.149 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 101 7.012 -2.347 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.614 -0.521 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.520 -0.645 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 101 4.597 -3.279 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.202 -2.882 -6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.729 -1.901 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.535 -1.147 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.808 -3.414 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.139 -1.678 -8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.481 -2.811 -7.803 1.00 0.00 H new ATOM 292 N SER A 102 7.905 0.116 -5.156 1.00 0.00 N ATOM 293 CA SER A 102 8.719 1.278 -4.699 1.00 0.00 C ATOM 294 C SER A 102 8.336 2.508 -5.523 1.00 0.00 C ATOM 295 O SER A 102 8.049 2.412 -6.699 1.00 0.00 O ATOM 296 CB SER A 102 10.204 0.974 -4.897 1.00 0.00 C ATOM 297 OG SER A 102 10.976 2.062 -4.407 1.00 0.00 O ATOM 0 H SER A 102 7.950 -0.077 -6.156 1.00 0.00 H new ATOM 0 HA SER A 102 8.529 1.467 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.472 0.057 -4.372 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.416 0.810 -5.954 1.00 0.00 H new ATOM 0 HG SER A 102 11.929 1.869 -4.531 1.00 0.00 H new ATOM 303 N PHE A 103 8.324 3.665 -4.920 1.00 0.00 N ATOM 304 CA PHE A 103 7.953 4.892 -5.681 1.00 0.00 C ATOM 305 C PHE A 103 8.128 6.125 -4.794 1.00 0.00 C ATOM 306 O PHE A 103 8.630 6.044 -3.691 1.00 0.00 O ATOM 307 CB PHE A 103 6.492 4.790 -6.119 1.00 0.00 C ATOM 308 CG PHE A 103 5.631 4.487 -4.916 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.377 3.159 -4.554 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.089 5.534 -4.160 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.581 2.877 -3.437 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.294 5.252 -3.043 1.00 0.00 C ATOM 313 CZ PHE A 103 4.040 3.924 -2.681 1.00 0.00 C ATOM 0 H PHE A 103 8.554 3.814 -3.937 1.00 0.00 H new ATOM 0 HA PHE A 103 8.597 4.983 -6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.173 5.723 -6.583 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.379 4.007 -6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.795 2.351 -5.136 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.284 6.559 -4.439 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.384 1.852 -3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.876 6.060 -2.460 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.427 3.707 -1.819 1.00 0.00 H new ATOM 323 N HIS A 104 7.712 7.266 -5.271 1.00 0.00 N ATOM 324 CA HIS A 104 7.845 8.508 -4.461 1.00 0.00 C ATOM 325 C HIS A 104 6.517 9.267 -4.481 1.00 0.00 C ATOM 326 O HIS A 104 5.694 9.074 -5.355 1.00 0.00 O ATOM 327 CB HIS A 104 8.946 9.389 -5.055 1.00 0.00 C ATOM 328 CG HIS A 104 8.937 9.260 -6.553 1.00 0.00 C ATOM 329 ND1 HIS A 104 9.491 8.170 -7.205 1.00 0.00 N ATOM 330 CD2 HIS A 104 8.444 10.077 -7.541 1.00 0.00 C ATOM 331 CE1 HIS A 104 9.320 8.358 -8.526 1.00 0.00 C ATOM 332 NE2 HIS A 104 8.688 9.505 -8.786 1.00 0.00 N ATOM 0 H HIS A 104 7.285 7.391 -6.189 1.00 0.00 H new ATOM 0 HA HIS A 104 8.103 8.250 -3.434 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.789 10.429 -4.768 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.917 9.092 -4.659 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.943 11.020 -7.377 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.654 7.665 -9.284 1.00 0.00 H new ATOM 0 HE2 HIS A 104 8.438 9.881 -9.701 1.00 0.00 H new ATOM 340 N LYS A 105 6.300 10.127 -3.524 1.00 0.00 N ATOM 341 CA LYS A 105 5.023 10.895 -3.487 1.00 0.00 C ATOM 342 C LYS A 105 4.762 11.533 -4.855 1.00 0.00 C ATOM 343 O LYS A 105 5.643 12.116 -5.455 1.00 0.00 O ATOM 344 CB LYS A 105 5.125 11.992 -2.426 1.00 0.00 C ATOM 345 CG LYS A 105 3.810 12.770 -2.372 1.00 0.00 C ATOM 346 CD LYS A 105 4.096 14.237 -2.045 1.00 0.00 C ATOM 347 CE LYS A 105 2.782 15.019 -2.022 1.00 0.00 C ATOM 348 NZ LYS A 105 2.285 15.198 -3.416 1.00 0.00 N ATOM 0 H LYS A 105 6.951 10.331 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 105 4.202 10.221 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.340 11.552 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.949 12.665 -2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.291 12.694 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.152 12.340 -1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.595 14.315 -1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.771 14.661 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.040 14.487 -1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.933 15.990 -1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.547 15.931 -3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.072 15.488 -4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.888 14.301 -3.761 1.00 0.00 H new ATOM 362 N GLY A 106 3.557 11.433 -5.347 1.00 0.00 N ATOM 363 CA GLY A 106 3.240 12.041 -6.671 1.00 0.00 C ATOM 364 C GLY A 106 3.025 10.939 -7.710 1.00 0.00 C ATOM 365 O GLY A 106 2.541 11.185 -8.797 1.00 0.00 O ATOM 0 H GLY A 106 2.779 10.957 -4.890 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.346 12.659 -6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.053 12.696 -6.985 1.00 0.00 H new ATOM 369 N GLU A 107 3.381 9.726 -7.388 1.00 0.00 N ATOM 370 CA GLU A 107 3.198 8.614 -8.363 1.00 0.00 C ATOM 371 C GLU A 107 1.719 8.229 -8.430 1.00 0.00 C ATOM 372 O GLU A 107 1.005 8.294 -7.449 1.00 0.00 O ATOM 373 CB GLU A 107 4.017 7.403 -7.915 1.00 0.00 C ATOM 374 CG GLU A 107 5.308 7.328 -8.732 1.00 0.00 C ATOM 375 CD GLU A 107 5.378 5.984 -9.459 1.00 0.00 C ATOM 376 OE1 GLU A 107 4.704 5.064 -9.026 1.00 0.00 O ATOM 377 OE2 GLU A 107 6.103 5.898 -10.435 1.00 0.00 O ATOM 0 H GLU A 107 3.790 9.457 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 107 3.534 8.938 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.250 7.481 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.437 6.490 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.342 8.145 -9.453 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.172 7.444 -8.077 1.00 0.00 H new ATOM 384 N LYS A 108 1.255 7.821 -9.579 1.00 0.00 N ATOM 385 CA LYS A 108 -0.176 7.425 -9.706 1.00 0.00 C ATOM 386 C LYS A 108 -0.280 5.901 -9.609 1.00 0.00 C ATOM 387 O LYS A 108 0.548 5.180 -10.129 1.00 0.00 O ATOM 388 CB LYS A 108 -0.737 7.889 -11.058 1.00 0.00 C ATOM 389 CG LYS A 108 0.109 9.039 -11.618 1.00 0.00 C ATOM 390 CD LYS A 108 0.137 10.195 -10.616 1.00 0.00 C ATOM 391 CE LYS A 108 0.420 11.504 -11.356 1.00 0.00 C ATOM 392 NZ LYS A 108 1.875 11.820 -11.272 1.00 0.00 N ATOM 0 H LYS A 108 1.804 7.745 -10.435 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.751 7.892 -8.907 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.743 7.057 -11.762 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.771 8.213 -10.939 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.123 8.693 -11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.305 9.378 -12.568 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.817 10.260 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.904 10.018 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.116 11.417 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.164 12.314 -10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 2.053 12.750 -11.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.170 11.836 -10.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.418 11.094 -11.782 1.00 0.00 H new ATOM 406 N PHE A 109 -1.287 5.402 -8.945 1.00 0.00 N ATOM 407 CA PHE A 109 -1.430 3.924 -8.817 1.00 0.00 C ATOM 408 C PHE A 109 -2.863 3.512 -9.160 1.00 0.00 C ATOM 409 O PHE A 109 -3.758 4.331 -9.223 1.00 0.00 O ATOM 410 CB PHE A 109 -1.106 3.501 -7.383 1.00 0.00 C ATOM 411 CG PHE A 109 0.387 3.563 -7.169 1.00 0.00 C ATOM 412 CD1 PHE A 109 1.238 2.747 -7.925 1.00 0.00 C ATOM 413 CD2 PHE A 109 0.921 4.437 -6.216 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.622 2.807 -7.729 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.307 4.497 -6.019 1.00 0.00 C ATOM 416 CZ PHE A 109 3.157 3.681 -6.776 1.00 0.00 C ATOM 0 H PHE A 109 -2.014 5.952 -8.487 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.740 3.435 -9.505 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.614 4.156 -6.675 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.470 2.490 -7.199 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.826 2.071 -8.660 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.265 5.066 -5.632 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.278 2.179 -8.313 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.720 5.172 -5.284 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.225 3.726 -6.624 1.00 0.00 H new ATOM 426 N GLN A 110 -3.085 2.244 -9.380 1.00 0.00 N ATOM 427 CA GLN A 110 -4.458 1.774 -9.720 1.00 0.00 C ATOM 428 C GLN A 110 -4.872 0.664 -8.752 1.00 0.00 C ATOM 429 O GLN A 110 -4.548 -0.492 -8.945 1.00 0.00 O ATOM 430 CB GLN A 110 -4.467 1.230 -11.150 1.00 0.00 C ATOM 431 CG GLN A 110 -3.757 2.218 -12.078 1.00 0.00 C ATOM 432 CD GLN A 110 -4.689 2.594 -13.231 1.00 0.00 C ATOM 433 OE1 GLN A 110 -4.744 3.738 -13.635 1.00 0.00 O ATOM 434 NE2 GLN A 110 -5.431 1.672 -13.780 1.00 0.00 N ATOM 0 H GLN A 110 -2.374 1.513 -9.339 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.158 2.606 -9.640 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.969 0.261 -11.185 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.493 1.074 -11.484 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -3.468 3.111 -11.524 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.841 1.774 -12.467 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -5.385 0.711 -13.441 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -6.057 1.912 -14.549 1.00 0.00 H new ATOM 443 N ILE A 111 -5.585 1.001 -7.711 1.00 0.00 N ATOM 444 CA ILE A 111 -6.014 -0.042 -6.737 1.00 0.00 C ATOM 445 C ILE A 111 -6.971 -1.019 -7.425 1.00 0.00 C ATOM 446 O ILE A 111 -7.980 -0.630 -7.978 1.00 0.00 O ATOM 447 CB ILE A 111 -6.731 0.614 -5.554 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.894 1.780 -5.015 1.00 0.00 C ATOM 449 CG2 ILE A 111 -6.929 -0.420 -4.445 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.517 1.273 -4.581 1.00 0.00 C ATOM 0 H ILE A 111 -5.888 1.951 -7.494 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.135 -0.577 -6.377 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.698 0.990 -5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.784 2.546 -5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.403 2.245 -4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.439 0.045 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.530 -1.247 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.959 -0.795 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.927 2.106 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.635 0.523 -3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.007 0.829 -5.436 1.00 0.00 H new ATOM 462 N LEU A 112 -6.660 -2.287 -7.395 1.00 0.00 N ATOM 463 CA LEU A 112 -7.552 -3.288 -8.044 1.00 0.00 C ATOM 464 C LEU A 112 -8.102 -4.244 -6.984 1.00 0.00 C ATOM 465 O LEU A 112 -9.122 -4.875 -7.171 1.00 0.00 O ATOM 466 CB LEU A 112 -6.758 -4.080 -9.082 1.00 0.00 C ATOM 467 CG LEU A 112 -5.440 -4.543 -8.465 1.00 0.00 C ATOM 468 CD1 LEU A 112 -5.112 -5.954 -8.955 1.00 0.00 C ATOM 469 CD2 LEU A 112 -4.320 -3.586 -8.878 1.00 0.00 C ATOM 0 H LEU A 112 -5.827 -2.672 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.379 -2.774 -8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.336 -4.940 -9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.565 -3.461 -9.958 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.531 -4.550 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.171 -6.283 -8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.909 -6.636 -8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.022 -5.950 -10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.379 -3.916 -8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.230 -3.579 -9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.552 -2.581 -8.526 1.00 0.00 H new ATOM 481 N ASN A 113 -7.434 -4.353 -5.868 1.00 0.00 N ATOM 482 CA ASN A 113 -7.918 -5.264 -4.793 1.00 0.00 C ATOM 483 C ASN A 113 -7.513 -4.700 -3.430 1.00 0.00 C ATOM 484 O ASN A 113 -6.372 -4.790 -3.023 1.00 0.00 O ATOM 485 CB ASN A 113 -7.297 -6.651 -4.979 1.00 0.00 C ATOM 486 CG ASN A 113 -8.112 -7.683 -4.196 1.00 0.00 C ATOM 487 OD1 ASN A 113 -9.316 -7.758 -4.339 1.00 0.00 O ATOM 488 ND2 ASN A 113 -7.502 -8.488 -3.369 1.00 0.00 N ATOM 0 H ASN A 113 -6.573 -3.850 -5.654 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.004 -5.345 -4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -7.277 -6.914 -6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -6.264 -6.648 -4.632 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -8.036 -9.180 -2.843 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -6.491 -8.425 -3.249 1.00 0.00 H new ATOM 495 N SER A 114 -8.440 -4.114 -2.723 1.00 0.00 N ATOM 496 CA SER A 114 -8.112 -3.540 -1.388 1.00 0.00 C ATOM 497 C SER A 114 -8.717 -4.418 -0.291 1.00 0.00 C ATOM 498 O SER A 114 -9.362 -3.934 0.618 1.00 0.00 O ATOM 499 CB SER A 114 -8.694 -2.130 -1.289 1.00 0.00 C ATOM 500 OG SER A 114 -8.317 -1.384 -2.438 1.00 0.00 O ATOM 0 H SER A 114 -9.412 -4.008 -3.013 1.00 0.00 H new ATOM 0 HA SER A 114 -7.030 -3.500 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.780 -2.177 -1.212 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.332 -1.637 -0.387 1.00 0.00 H new ATOM 0 HG SER A 114 -9.024 -0.742 -2.658 1.00 0.00 H new ATOM 539 N ASP A 118 -2.753 -3.647 5.635 1.00 0.00 N ATOM 540 CA ASP A 118 -2.228 -2.285 5.335 1.00 0.00 C ATOM 541 C ASP A 118 -1.484 -2.313 3.999 1.00 0.00 C ATOM 542 O ASP A 118 -0.584 -1.530 3.763 1.00 0.00 O ATOM 543 CB ASP A 118 -1.264 -1.853 6.444 1.00 0.00 C ATOM 544 CG ASP A 118 -1.521 -0.389 6.807 1.00 0.00 C ATOM 545 OD1 ASP A 118 -2.399 -0.146 7.619 1.00 0.00 O ATOM 546 OD2 ASP A 118 -0.836 0.463 6.268 1.00 0.00 O ATOM 0 HA ASP A 118 -3.057 -1.579 5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.398 -2.485 7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.233 -1.981 6.114 1.00 0.00 H new ATOM 551 N TRP A 119 -1.847 -3.210 3.123 1.00 0.00 N ATOM 552 CA TRP A 119 -1.155 -3.287 1.807 1.00 0.00 C ATOM 553 C TRP A 119 -2.177 -3.548 0.697 1.00 0.00 C ATOM 554 O TRP A 119 -2.663 -4.650 0.532 1.00 0.00 O ATOM 555 CB TRP A 119 -0.133 -4.426 1.834 1.00 0.00 C ATOM 556 CG TRP A 119 0.855 -4.182 2.929 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.775 -4.698 4.177 1.00 0.00 C ATOM 558 CD2 TRP A 119 2.067 -3.373 2.897 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.861 -4.258 4.912 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.685 -3.439 4.167 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.682 -2.597 1.898 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.874 -2.760 4.438 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.877 -1.911 2.167 1.00 0.00 C ATOM 564 CH2 TRP A 119 4.472 -1.993 3.434 1.00 0.00 C ATOM 0 H TRP A 119 -2.592 -3.892 3.262 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.647 -2.342 1.614 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -0.638 -5.379 1.991 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.380 -4.492 0.875 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.008 -5.347 4.540 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.032 -4.508 5.886 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.232 -2.528 0.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 4.328 -2.827 5.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 4.341 -1.317 1.394 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.392 -1.464 3.634 1.00 0.00 H new ATOM 575 N TRP A 120 -2.501 -2.542 -0.068 1.00 0.00 N ATOM 576 CA TRP A 120 -3.485 -2.727 -1.173 1.00 0.00 C ATOM 577 C TRP A 120 -2.745 -3.115 -2.452 1.00 0.00 C ATOM 578 O TRP A 120 -1.612 -2.731 -2.666 1.00 0.00 O ATOM 579 CB TRP A 120 -4.229 -1.415 -1.423 1.00 0.00 C ATOM 580 CG TRP A 120 -5.271 -1.201 -0.374 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.580 -2.074 0.610 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.146 -0.054 -0.196 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.592 -1.532 1.385 1.00 0.00 N ATOM 584 CE2 TRP A 120 -6.973 -0.285 0.927 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.299 1.156 -0.896 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -7.921 0.652 1.341 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -7.249 2.102 -0.483 1.00 0.00 C ATOM 588 CH2 TRP A 120 -8.059 1.851 0.634 1.00 0.00 C ATOM 0 H TRP A 120 -2.126 -1.598 0.024 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.191 -3.509 -0.894 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.524 -0.583 -1.420 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.694 -1.435 -2.408 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.115 -3.036 0.766 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -7.005 -1.996 2.194 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.681 1.358 -1.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.543 0.453 2.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.357 3.028 -1.028 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.789 2.583 0.948 1.00 0.00 H new ATOM 599 N GLU A 121 -3.382 -3.851 -3.318 1.00 0.00 N ATOM 600 CA GLU A 121 -2.718 -4.234 -4.594 1.00 0.00 C ATOM 601 C GLU A 121 -2.842 -3.063 -5.568 1.00 0.00 C ATOM 602 O GLU A 121 -3.889 -2.828 -6.139 1.00 0.00 O ATOM 603 CB GLU A 121 -3.403 -5.470 -5.180 1.00 0.00 C ATOM 604 CG GLU A 121 -3.594 -6.516 -4.080 1.00 0.00 C ATOM 605 CD GLU A 121 -3.466 -7.919 -4.678 1.00 0.00 C ATOM 606 OE1 GLU A 121 -2.569 -8.121 -5.480 1.00 0.00 O ATOM 607 OE2 GLU A 121 -4.268 -8.767 -4.322 1.00 0.00 O ATOM 0 H GLU A 121 -4.332 -4.203 -3.198 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.668 -4.466 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.367 -5.196 -5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.801 -5.883 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -2.850 -6.374 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.573 -6.396 -3.616 1.00 0.00 H new ATOM 614 N ALA A 122 -1.791 -2.311 -5.747 1.00 0.00 N ATOM 615 CA ALA A 122 -1.869 -1.143 -6.668 1.00 0.00 C ATOM 616 C ALA A 122 -1.059 -1.415 -7.934 1.00 0.00 C ATOM 617 O ALA A 122 -0.039 -2.075 -7.904 1.00 0.00 O ATOM 618 CB ALA A 122 -1.308 0.095 -5.965 1.00 0.00 C ATOM 0 H ALA A 122 -0.886 -2.454 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.911 -0.975 -6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.364 0.952 -6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.891 0.299 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.269 -0.083 -5.689 1.00 0.00 H new ATOM 624 N ARG A 123 -1.504 -0.900 -9.046 1.00 0.00 N ATOM 625 CA ARG A 123 -0.760 -1.113 -10.317 1.00 0.00 C ATOM 626 C ARG A 123 0.070 0.134 -10.621 1.00 0.00 C ATOM 627 O ARG A 123 -0.425 1.243 -10.583 1.00 0.00 O ATOM 628 CB ARG A 123 -1.751 -1.355 -11.458 1.00 0.00 C ATOM 629 CG ARG A 123 -0.994 -1.854 -12.689 1.00 0.00 C ATOM 630 CD ARG A 123 -1.985 -2.170 -13.809 1.00 0.00 C ATOM 631 NE ARG A 123 -1.480 -1.605 -15.092 1.00 0.00 N ATOM 632 CZ ARG A 123 -1.710 -2.228 -16.216 1.00 0.00 C ATOM 633 NH1 ARG A 123 -2.938 -2.454 -16.597 1.00 0.00 N ATOM 634 NH2 ARG A 123 -0.713 -2.624 -16.958 1.00 0.00 N ATOM 0 H ARG A 123 -2.352 -0.340 -9.129 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.106 -1.980 -10.219 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.499 -2.088 -11.156 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.284 -0.434 -11.693 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.283 -1.098 -13.022 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.418 -2.745 -12.438 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.115 -3.248 -13.900 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -2.963 -1.749 -13.574 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.954 -0.731 -15.092 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -3.717 -2.144 -16.017 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -3.118 -2.941 -17.475 1.00 0.00 H new ATOM 0 HH21 ARG A 123 0.246 -2.447 -16.660 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -0.893 -3.111 -17.836 1.00 0.00 H new ATOM 648 N SER A 124 1.329 -0.037 -10.916 1.00 0.00 N ATOM 649 CA SER A 124 2.189 1.143 -11.215 1.00 0.00 C ATOM 650 C SER A 124 2.122 1.457 -12.711 1.00 0.00 C ATOM 651 O SER A 124 2.598 0.703 -13.536 1.00 0.00 O ATOM 652 CB SER A 124 3.633 0.831 -10.824 1.00 0.00 C ATOM 653 OG SER A 124 3.639 -0.134 -9.780 1.00 0.00 O ATOM 0 H SER A 124 1.799 -0.941 -10.963 1.00 0.00 H new ATOM 0 HA SER A 124 1.836 2.004 -10.647 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.182 0.454 -11.687 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.138 1.740 -10.497 1.00 0.00 H new ATOM 0 HG SER A 124 3.977 -0.987 -10.125 1.00 0.00 H new ATOM 659 N LEU A 125 1.537 2.568 -13.067 1.00 0.00 N ATOM 660 CA LEU A 125 1.444 2.932 -14.509 1.00 0.00 C ATOM 661 C LEU A 125 2.824 3.355 -15.015 1.00 0.00 C ATOM 662 O LEU A 125 3.086 3.365 -16.202 1.00 0.00 O ATOM 663 CB LEU A 125 0.458 4.090 -14.683 1.00 0.00 C ATOM 664 CG LEU A 125 -0.890 3.707 -14.068 1.00 0.00 C ATOM 665 CD1 LEU A 125 -1.563 4.956 -13.496 1.00 0.00 C ATOM 666 CD2 LEU A 125 -1.787 3.096 -15.148 1.00 0.00 C ATOM 0 H LEU A 125 1.120 3.239 -12.422 1.00 0.00 H new ATOM 0 HA LEU A 125 1.094 2.072 -15.080 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.847 4.988 -14.203 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.335 4.321 -15.741 1.00 0.00 H new ATOM 0 HG LEU A 125 -0.732 2.981 -13.271 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.523 4.684 -13.058 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -0.925 5.394 -12.728 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.721 5.682 -14.294 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.748 2.823 -14.711 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.944 3.823 -15.945 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.309 2.207 -15.558 1.00 0.00 H new ATOM 678 N THR A 126 3.713 3.702 -14.124 1.00 0.00 N ATOM 679 CA THR A 126 5.076 4.121 -14.555 1.00 0.00 C ATOM 680 C THR A 126 5.856 2.892 -15.030 1.00 0.00 C ATOM 681 O THR A 126 6.373 2.860 -16.129 1.00 0.00 O ATOM 682 CB THR A 126 5.809 4.769 -13.378 1.00 0.00 C ATOM 683 OG1 THR A 126 5.090 5.917 -12.950 1.00 0.00 O ATOM 684 CG2 THR A 126 7.216 5.179 -13.814 1.00 0.00 C ATOM 0 H THR A 126 3.554 3.713 -13.117 1.00 0.00 H new ATOM 0 HA THR A 126 4.996 4.840 -15.370 1.00 0.00 H new ATOM 0 HB THR A 126 5.880 4.056 -12.556 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.345 6.139 -12.030 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.737 5.640 -12.975 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.766 4.297 -14.143 1.00 0.00 H new ATOM 0 HG23 THR A 126 7.149 5.892 -14.636 1.00 0.00 H new ATOM 692 N THR A 127 5.944 1.880 -14.209 1.00 0.00 N ATOM 693 CA THR A 127 6.689 0.655 -14.616 1.00 0.00 C ATOM 694 C THR A 127 5.817 -0.180 -15.556 1.00 0.00 C ATOM 695 O THR A 127 6.179 -0.441 -16.685 1.00 0.00 O ATOM 696 CB THR A 127 7.035 -0.170 -13.375 1.00 0.00 C ATOM 697 OG1 THR A 127 6.225 0.249 -12.285 1.00 0.00 O ATOM 698 CG2 THR A 127 8.510 0.029 -13.023 1.00 0.00 C ATOM 0 H THR A 127 5.533 1.849 -13.276 1.00 0.00 H new ATOM 0 HA THR A 127 7.608 0.941 -15.128 1.00 0.00 H new ATOM 0 HB THR A 127 6.851 -1.225 -13.578 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.446 -0.281 -11.491 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.756 -0.559 -12.139 1.00 0.00 H new ATOM 0 HG22 THR A 127 9.130 -0.295 -13.858 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.697 1.084 -12.821 1.00 0.00 H new ATOM 706 N GLY A 128 4.667 -0.598 -15.098 1.00 0.00 N ATOM 707 CA GLY A 128 3.772 -1.414 -15.967 1.00 0.00 C ATOM 708 C GLY A 128 3.397 -2.711 -15.247 1.00 0.00 C ATOM 709 O GLY A 128 2.614 -3.501 -15.738 1.00 0.00 O ATOM 0 H GLY A 128 4.310 -0.410 -14.161 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.872 -0.849 -16.211 1.00 0.00 H new ATOM 0 HA3 GLY A 128 4.272 -1.641 -16.909 1.00 0.00 H new ATOM 713 N GLU A 129 3.948 -2.940 -14.086 1.00 0.00 N ATOM 714 CA GLU A 129 3.620 -4.188 -13.342 1.00 0.00 C ATOM 715 C GLU A 129 2.695 -3.861 -12.168 1.00 0.00 C ATOM 716 O GLU A 129 2.233 -2.747 -12.020 1.00 0.00 O ATOM 717 CB GLU A 129 4.909 -4.815 -12.807 1.00 0.00 C ATOM 718 CG GLU A 129 5.841 -5.142 -13.976 1.00 0.00 C ATOM 719 CD GLU A 129 5.312 -6.367 -14.725 1.00 0.00 C ATOM 720 OE1 GLU A 129 4.370 -6.210 -15.484 1.00 0.00 O ATOM 721 OE2 GLU A 129 5.857 -7.439 -14.526 1.00 0.00 O ATOM 0 H GLU A 129 4.610 -2.318 -13.622 1.00 0.00 H new ATOM 0 HA GLU A 129 3.121 -4.886 -14.014 1.00 0.00 H new ATOM 0 HB2 GLU A 129 5.401 -4.129 -12.117 1.00 0.00 H new ATOM 0 HB3 GLU A 129 4.680 -5.721 -12.246 1.00 0.00 H new ATOM 0 HG2 GLU A 129 5.906 -4.290 -14.652 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.849 -5.335 -13.608 1.00 0.00 H new ATOM 728 N THR A 130 2.424 -4.826 -11.332 1.00 0.00 N ATOM 729 CA THR A 130 1.534 -4.578 -10.163 1.00 0.00 C ATOM 730 C THR A 130 2.228 -5.070 -8.892 1.00 0.00 C ATOM 731 O THR A 130 3.099 -5.917 -8.940 1.00 0.00 O ATOM 732 CB THR A 130 0.219 -5.337 -10.352 1.00 0.00 C ATOM 733 OG1 THR A 130 -0.085 -5.420 -11.737 1.00 0.00 O ATOM 734 CG2 THR A 130 -0.909 -4.602 -9.624 1.00 0.00 C ATOM 0 H THR A 130 2.782 -5.778 -11.409 1.00 0.00 H new ATOM 0 HA THR A 130 1.326 -3.511 -10.079 1.00 0.00 H new ATOM 0 HB THR A 130 0.319 -6.341 -9.941 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.926 -5.908 -11.859 1.00 0.00 H new ATOM 0 HG21 THR A 130 -1.844 -5.145 -9.760 1.00 0.00 H new ATOM 0 HG22 THR A 130 -0.677 -4.541 -8.561 1.00 0.00 H new ATOM 0 HG23 THR A 130 -1.010 -3.596 -10.032 1.00 0.00 H new ATOM 742 N GLY A 131 1.855 -4.550 -7.756 1.00 0.00 N ATOM 743 CA GLY A 131 2.505 -4.999 -6.493 1.00 0.00 C ATOM 744 C GLY A 131 1.657 -4.572 -5.296 1.00 0.00 C ATOM 745 O GLY A 131 0.473 -4.323 -5.414 1.00 0.00 O ATOM 0 H GLY A 131 1.133 -3.838 -7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.623 -6.083 -6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.504 -4.570 -6.415 1.00 0.00 H new ATOM 749 N TYR A 132 2.257 -4.485 -4.140 1.00 0.00 N ATOM 750 CA TYR A 132 1.489 -4.077 -2.932 1.00 0.00 C ATOM 751 C TYR A 132 2.064 -2.776 -2.370 1.00 0.00 C ATOM 752 O TYR A 132 3.259 -2.561 -2.370 1.00 0.00 O ATOM 753 CB TYR A 132 1.592 -5.174 -1.871 1.00 0.00 C ATOM 754 CG TYR A 132 0.806 -6.382 -2.316 1.00 0.00 C ATOM 755 CD1 TYR A 132 1.132 -7.029 -3.515 1.00 0.00 C ATOM 756 CD2 TYR A 132 -0.250 -6.858 -1.530 1.00 0.00 C ATOM 757 CE1 TYR A 132 0.403 -8.150 -3.927 1.00 0.00 C ATOM 758 CE2 TYR A 132 -0.980 -7.979 -1.941 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.653 -8.625 -3.140 1.00 0.00 C ATOM 760 OH TYR A 132 -1.373 -9.730 -3.546 1.00 0.00 O ATOM 0 H TYR A 132 3.246 -4.679 -3.981 1.00 0.00 H new ATOM 0 HA TYR A 132 0.445 -3.924 -3.204 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.636 -5.445 -1.713 1.00 0.00 H new ATOM 0 HB3 TYR A 132 1.209 -4.809 -0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 132 1.947 -6.662 -4.122 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -0.502 -6.360 -0.605 1.00 0.00 H new ATOM 0 HE1 TYR A 132 0.655 -8.648 -4.851 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -1.795 -8.346 -1.334 1.00 0.00 H new ATOM 0 HH TYR A 132 -1.504 -9.696 -4.517 1.00 0.00 H new ATOM 770 N ILE A 133 1.218 -1.910 -1.888 1.00 0.00 N ATOM 771 CA ILE A 133 1.706 -0.623 -1.321 1.00 0.00 C ATOM 772 C ILE A 133 0.899 -0.301 -0.062 1.00 0.00 C ATOM 773 O ILE A 133 -0.193 -0.800 0.112 1.00 0.00 O ATOM 774 CB ILE A 133 1.517 0.494 -2.349 1.00 0.00 C ATOM 775 CG1 ILE A 133 0.041 0.569 -2.752 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.370 0.202 -3.585 1.00 0.00 C ATOM 777 CD1 ILE A 133 -0.184 1.800 -3.632 1.00 0.00 C ATOM 0 H ILE A 133 0.206 -2.039 -1.862 1.00 0.00 H new ATOM 0 HA ILE A 133 2.764 -0.705 -1.073 1.00 0.00 H new ATOM 0 HB ILE A 133 1.825 1.445 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.247 -0.334 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.588 0.624 -1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.235 0.998 -4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.420 0.148 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 133 2.064 -0.748 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.234 1.855 -3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 133 0.088 2.698 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 133 0.434 1.725 -4.527 1.00 0.00 H new ATOM 789 N PRO A 134 1.458 0.527 0.781 1.00 0.00 N ATOM 790 CA PRO A 134 0.794 0.927 2.032 1.00 0.00 C ATOM 791 C PRO A 134 -0.539 1.613 1.716 1.00 0.00 C ATOM 792 O PRO A 134 -0.591 2.567 0.968 1.00 0.00 O ATOM 793 CB PRO A 134 1.770 1.906 2.700 1.00 0.00 C ATOM 794 CG PRO A 134 3.009 2.038 1.777 1.00 0.00 C ATOM 795 CD PRO A 134 2.783 1.130 0.558 1.00 0.00 C ATOM 0 HA PRO A 134 0.568 0.079 2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.297 2.877 2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 134 2.063 1.542 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 134 3.143 3.073 1.463 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.915 1.746 2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.807 1.700 -0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.558 0.367 0.484 1.00 0.00 H new ATOM 803 N SER A 135 -1.617 1.132 2.274 1.00 0.00 N ATOM 804 CA SER A 135 -2.939 1.761 1.996 1.00 0.00 C ATOM 805 C SER A 135 -2.945 3.194 2.534 1.00 0.00 C ATOM 806 O SER A 135 -3.465 4.100 1.912 1.00 0.00 O ATOM 807 CB SER A 135 -4.042 0.953 2.682 1.00 0.00 C ATOM 808 OG SER A 135 -3.833 0.971 4.088 1.00 0.00 O ATOM 0 H SER A 135 -1.639 0.333 2.908 1.00 0.00 H new ATOM 0 HA SER A 135 -3.116 1.776 0.921 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.019 1.373 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.038 -0.073 2.315 1.00 0.00 H new ATOM 0 HG SER A 135 -4.539 0.455 4.530 1.00 0.00 H new ATOM 814 N ASN A 136 -2.369 3.406 3.686 1.00 0.00 N ATOM 815 CA ASN A 136 -2.341 4.780 4.265 1.00 0.00 C ATOM 816 C ASN A 136 -1.425 5.675 3.423 1.00 0.00 C ATOM 817 O ASN A 136 -1.340 6.868 3.637 1.00 0.00 O ATOM 818 CB ASN A 136 -1.810 4.715 5.700 1.00 0.00 C ATOM 819 CG ASN A 136 -2.754 5.478 6.632 1.00 0.00 C ATOM 820 OD1 ASN A 136 -2.902 5.129 7.785 1.00 0.00 O ATOM 821 ND2 ASN A 136 -3.405 6.513 6.176 1.00 0.00 N ATOM 0 H ASN A 136 -1.917 2.688 4.251 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.349 5.194 4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -1.727 3.677 6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -0.809 5.145 5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -4.038 7.028 6.788 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -3.281 6.807 5.207 1.00 0.00 H new ATOM 828 N TYR A 137 -0.738 5.107 2.470 1.00 0.00 N ATOM 829 CA TYR A 137 0.174 5.923 1.618 1.00 0.00 C ATOM 830 C TYR A 137 -0.496 6.216 0.273 1.00 0.00 C ATOM 831 O TYR A 137 0.164 6.510 -0.703 1.00 0.00 O ATOM 832 CB TYR A 137 1.471 5.149 1.370 1.00 0.00 C ATOM 833 CG TYR A 137 2.463 5.452 2.466 1.00 0.00 C ATOM 834 CD1 TYR A 137 2.094 5.299 3.808 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.755 5.884 2.141 1.00 0.00 C ATOM 836 CE1 TYR A 137 3.015 5.578 4.824 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.677 6.162 3.157 1.00 0.00 C ATOM 838 CZ TYR A 137 4.307 6.010 4.499 1.00 0.00 C ATOM 839 OH TYR A 137 5.216 6.285 5.502 1.00 0.00 O ATOM 0 H TYR A 137 -0.769 4.113 2.244 1.00 0.00 H new ATOM 0 HA TYR A 137 0.394 6.861 2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.266 4.079 1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.890 5.423 0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 137 1.098 4.965 4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.040 6.003 1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.729 5.460 5.859 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.674 6.494 2.906 1.00 0.00 H new ATOM 0 HH TYR A 137 6.065 6.572 5.105 1.00 0.00 H new ATOM 849 N VAL A 138 -1.798 6.135 0.205 1.00 0.00 N ATOM 850 CA VAL A 138 -2.483 6.409 -1.091 1.00 0.00 C ATOM 851 C VAL A 138 -3.776 7.191 -0.849 1.00 0.00 C ATOM 852 O VAL A 138 -4.371 7.118 0.208 1.00 0.00 O ATOM 853 CB VAL A 138 -2.811 5.084 -1.782 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.573 4.575 -2.522 1.00 0.00 C ATOM 855 CG2 VAL A 138 -3.236 4.052 -0.734 1.00 0.00 C ATOM 0 H VAL A 138 -2.412 5.893 0.983 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.823 7.002 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 138 -3.623 5.237 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.806 3.631 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.268 5.308 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.761 4.422 -1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.470 3.108 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.424 3.899 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -4.118 4.413 -0.205 1.00 0.00 H new ATOM 865 N ALA A 139 -4.213 7.935 -1.828 1.00 0.00 N ATOM 866 CA ALA A 139 -5.469 8.723 -1.673 1.00 0.00 C ATOM 867 C ALA A 139 -6.124 8.895 -3.051 1.00 0.00 C ATOM 868 O ALA A 139 -5.468 9.279 -3.997 1.00 0.00 O ATOM 869 CB ALA A 139 -5.138 10.099 -1.093 1.00 0.00 C ATOM 0 H ALA A 139 -3.752 8.031 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.151 8.202 -1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.056 10.676 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.662 9.979 -0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.460 10.624 -1.766 1.00 0.00 H new ATOM 875 N PRO A 140 -7.400 8.600 -3.129 1.00 0.00 N ATOM 876 CA PRO A 140 -8.153 8.713 -4.392 1.00 0.00 C ATOM 877 C PRO A 140 -8.138 10.160 -4.897 1.00 0.00 C ATOM 878 O PRO A 140 -8.078 11.096 -4.125 1.00 0.00 O ATOM 879 CB PRO A 140 -9.583 8.280 -4.040 1.00 0.00 C ATOM 880 CG PRO A 140 -9.608 7.919 -2.533 1.00 0.00 C ATOM 881 CD PRO A 140 -8.193 8.136 -1.975 1.00 0.00 C ATOM 0 HA PRO A 140 -7.722 8.100 -5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.289 9.083 -4.253 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.883 7.423 -4.644 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.328 8.543 -2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -9.919 6.884 -2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -8.193 8.874 -1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.786 7.214 -1.560 1.00 0.00 H new ATOM 889 N VAL A 141 -8.196 10.348 -6.188 1.00 0.00 N ATOM 890 CA VAL A 141 -8.187 11.730 -6.743 1.00 0.00 C ATOM 891 C VAL A 141 -9.616 12.277 -6.770 1.00 0.00 C ATOM 892 O VAL A 141 -10.498 11.554 -7.202 1.00 0.00 O ATOM 893 CB VAL A 141 -7.627 11.703 -8.167 1.00 0.00 C ATOM 894 CG1 VAL A 141 -8.518 10.826 -9.049 1.00 0.00 C ATOM 895 CG2 VAL A 141 -7.597 13.125 -8.730 1.00 0.00 C ATOM 896 OXT VAL A 141 -9.803 13.410 -6.358 1.00 0.00 O ATOM 0 H VAL A 141 -8.249 9.603 -6.882 1.00 0.00 H new ATOM 0 HA VAL A 141 -7.563 12.369 -6.118 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.616 11.296 -8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -8.120 10.807 -10.063 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.541 9.812 -8.649 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -9.529 11.233 -9.064 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -7.198 13.106 -9.744 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -8.608 13.532 -8.745 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -6.963 13.752 -8.102 1.00 0.00 H new