USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 945 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 45 THR OG1 : rot -170:sc= -0.448 USER MOD Set 1.2: A 48 GLN : amide:sc= -0.0124 X(o=-0.46,f=-0.45) USER MOD Single : A 5 GLN : amide:sc= 0.592 K(o=0.59,f=-0.07) USER MOD Single : A 13 ASN : amide:sc= -11.8! C(o=-12!,f=-8.1!) USER MOD Single : A 15 ASN : amide:sc= -0.937 K(o=-0.94,f=-2.1!) USER MOD Single : A 16 ASN : amide:sc= -1.88 K(o=-1.9,f=-2.5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00357 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc=-0.00354 (180deg=-0.263) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0711 X(o=-0.071,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.777 K(o=-0.78,f=-1.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -5.23! C(o=-5.2!,f=-1.6!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -148:sc= 0.132 (180deg=-0.0619) USER MOD Single : A 100 GLN : amide:sc= -3.13 K(o=-3.1,f=-3.7!) USER MOD Single : A 105 MET CE :methyl -163:sc= -1.33 (180deg=-3.03!) USER MOD Single : A 106 SER OG : rot 180:sc= 0.078 USER MOD Single : A 111 ASN : amide:sc= -8.7! C(o=-8.7!,f=-9.7!) USER MOD Single : A 119 ASN : amide:sc= -5.77! C(o=-5.8!,f=-9.1!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LEU A 4 12.590 9.743 4.260 1.00 0.00 N ATOM 65 CA LEU A 4 12.194 8.478 4.946 1.00 0.00 C ATOM 66 C LEU A 4 11.423 7.599 3.958 1.00 0.00 C ATOM 67 O LEU A 4 10.854 8.089 3.003 1.00 0.00 O ATOM 68 CB LEU A 4 11.305 8.806 6.149 1.00 0.00 C ATOM 69 CG LEU A 4 11.160 7.568 7.034 1.00 0.00 C ATOM 70 CD1 LEU A 4 12.541 6.982 7.325 1.00 0.00 C ATOM 71 CD2 LEU A 4 10.488 7.964 8.351 1.00 0.00 C ATOM 0 HA LEU A 4 13.082 7.949 5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.739 9.626 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.324 9.139 5.809 1.00 0.00 H new ATOM 0 HG LEU A 4 10.552 6.823 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 4 12.436 6.099 7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 4 13.023 6.703 6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.151 7.725 7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.383 7.084 8.985 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.099 8.708 8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.503 8.383 8.145 1.00 0.00 H new ATOM 83 N GLN A 5 11.402 6.308 4.166 1.00 0.00 N ATOM 84 CA GLN A 5 10.671 5.425 3.210 1.00 0.00 C ATOM 85 C GLN A 5 10.028 4.242 3.943 1.00 0.00 C ATOM 86 O GLN A 5 10.675 3.526 4.683 1.00 0.00 O ATOM 87 CB GLN A 5 11.654 4.897 2.162 1.00 0.00 C ATOM 88 CG GLN A 5 11.897 5.964 1.095 1.00 0.00 C ATOM 89 CD GLN A 5 13.402 6.193 0.935 1.00 0.00 C ATOM 90 OE1 GLN A 5 13.982 7.004 1.630 1.00 0.00 O ATOM 91 NE2 GLN A 5 14.066 5.508 0.044 1.00 0.00 N ATOM 0 H GLN A 5 11.854 5.832 4.947 1.00 0.00 H new ATOM 0 HA GLN A 5 9.883 6.006 2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.596 4.625 2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.257 3.993 1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.463 5.649 0.146 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.405 6.895 1.378 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.582 4.827 -0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 5 15.069 5.654 -0.068 1.00 0.00 H new ATOM 100 N ILE A 6 8.755 4.026 3.729 1.00 0.00 N ATOM 101 CA ILE A 6 8.053 2.893 4.387 1.00 0.00 C ATOM 102 C ILE A 6 7.869 1.765 3.365 1.00 0.00 C ATOM 103 O ILE A 6 8.526 1.740 2.345 1.00 0.00 O ATOM 104 CB ILE A 6 6.695 3.383 4.887 1.00 0.00 C ATOM 105 CG1 ILE A 6 6.832 4.822 5.388 1.00 0.00 C ATOM 106 CG2 ILE A 6 6.233 2.504 6.038 1.00 0.00 C ATOM 107 CD1 ILE A 6 7.850 4.859 6.528 1.00 0.00 C ATOM 0 H ILE A 6 8.169 4.596 3.118 1.00 0.00 H new ATOM 0 HA ILE A 6 8.632 2.518 5.231 1.00 0.00 H new ATOM 0 HB ILE A 6 5.971 3.338 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.153 5.474 4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.867 5.194 5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.264 2.852 6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 6 6.144 1.473 5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.959 2.555 6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.953 5.882 6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.509 4.218 7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.815 4.503 6.166 1.00 0.00 H new ATOM 119 N ALA A 7 6.995 0.825 3.621 1.00 0.00 N ATOM 120 CA ALA A 7 6.807 -0.287 2.640 1.00 0.00 C ATOM 121 C ALA A 7 5.339 -0.726 2.597 1.00 0.00 C ATOM 122 O ALA A 7 4.798 -1.215 3.568 1.00 0.00 O ATOM 123 CB ALA A 7 7.671 -1.478 3.056 1.00 0.00 C ATOM 0 H ALA A 7 6.410 0.778 4.455 1.00 0.00 H new ATOM 0 HA ALA A 7 7.100 0.066 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.537 -2.291 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.719 -1.179 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.374 -1.814 4.050 1.00 0.00 H new ATOM 129 N VAL A 8 4.695 -0.576 1.466 1.00 0.00 N ATOM 130 CA VAL A 8 3.271 -1.004 1.350 1.00 0.00 C ATOM 131 C VAL A 8 3.093 -1.801 0.064 1.00 0.00 C ATOM 132 O VAL A 8 3.469 -1.364 -1.006 1.00 0.00 O ATOM 133 CB VAL A 8 2.355 0.218 1.277 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.855 1.164 0.191 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.936 -0.233 0.917 1.00 0.00 C ATOM 0 H VAL A 8 5.096 -0.175 0.618 1.00 0.00 H new ATOM 0 HA VAL A 8 3.015 -1.607 2.221 1.00 0.00 H new ATOM 0 HB VAL A 8 2.354 0.725 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.202 2.035 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.870 1.485 0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.851 0.649 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.280 0.636 0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.949 -0.737 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.568 -0.919 1.680 1.00 0.00 H new ATOM 145 N GLY A 9 2.499 -2.949 0.150 1.00 0.00 N ATOM 146 CA GLY A 9 2.270 -3.751 -1.078 1.00 0.00 C ATOM 147 C GLY A 9 0.771 -3.898 -1.275 1.00 0.00 C ATOM 148 O GLY A 9 0.073 -4.432 -0.437 1.00 0.00 O ATOM 0 H GLY A 9 2.161 -3.369 1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.721 -3.262 -1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.739 -4.730 -0.986 1.00 0.00 H new ATOM 152 N ILE A 10 0.262 -3.416 -2.369 1.00 0.00 N ATOM 153 CA ILE A 10 -1.191 -3.518 -2.607 1.00 0.00 C ATOM 154 C ILE A 10 -1.460 -4.733 -3.487 1.00 0.00 C ATOM 155 O ILE A 10 -0.577 -5.229 -4.159 1.00 0.00 O ATOM 156 CB ILE A 10 -1.696 -2.249 -3.292 1.00 0.00 C ATOM 157 CG1 ILE A 10 -0.815 -1.046 -2.911 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.125 -1.985 -2.836 1.00 0.00 C ATOM 159 CD1 ILE A 10 -1.074 0.093 -3.893 1.00 0.00 C ATOM 0 H ILE A 10 0.794 -2.956 -3.108 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.715 -3.630 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.658 -2.384 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.038 -0.724 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.237 -1.329 -2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.499 -1.081 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.756 -2.830 -3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.143 -1.854 -1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.453 0.949 -3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.830 -0.235 -4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.125 0.380 -3.849 1.00 0.00 H new ATOM 171 N ILE A 11 -2.659 -5.233 -3.472 1.00 0.00 N ATOM 172 CA ILE A 11 -2.966 -6.438 -4.294 1.00 0.00 C ATOM 173 C ILE A 11 -4.455 -6.444 -4.621 1.00 0.00 C ATOM 174 O ILE A 11 -5.260 -5.998 -3.839 1.00 0.00 O ATOM 175 CB ILE A 11 -2.609 -7.701 -3.498 1.00 0.00 C ATOM 176 CG1 ILE A 11 -1.671 -7.334 -2.348 1.00 0.00 C ATOM 177 CG2 ILE A 11 -1.902 -8.715 -4.404 1.00 0.00 C ATOM 178 CD1 ILE A 11 -1.239 -8.598 -1.605 1.00 0.00 C ATOM 0 H ILE A 11 -3.440 -4.864 -2.929 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.386 -6.418 -5.216 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.528 -8.139 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.796 -6.811 -2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.173 -6.652 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.654 -9.607 -3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.561 -8.987 -5.229 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.988 -8.273 -4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.571 -8.329 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.118 -9.103 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.720 -9.265 -2.293 1.00 0.00 H new ATOM 190 N ARG A 12 -4.825 -6.936 -5.771 1.00 0.00 N ATOM 191 CA ARG A 12 -6.275 -6.953 -6.146 1.00 0.00 C ATOM 192 C ARG A 12 -6.543 -8.015 -7.217 1.00 0.00 C ATOM 193 O ARG A 12 -6.581 -7.717 -8.394 1.00 0.00 O ATOM 194 CB ARG A 12 -6.668 -5.589 -6.708 1.00 0.00 C ATOM 195 CG ARG A 12 -8.179 -5.551 -6.949 1.00 0.00 C ATOM 196 CD ARG A 12 -8.498 -4.513 -8.028 1.00 0.00 C ATOM 197 NE ARG A 12 -8.197 -5.088 -9.371 1.00 0.00 N ATOM 198 CZ ARG A 12 -8.653 -4.508 -10.447 1.00 0.00 C ATOM 199 NH1 ARG A 12 -7.976 -3.537 -10.997 1.00 0.00 N ATOM 200 NH2 ARG A 12 -9.779 -4.901 -10.977 1.00 0.00 N ATOM 0 H ARG A 12 -4.191 -7.327 -6.468 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.859 -7.184 -5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.380 -4.801 -6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.136 -5.401 -7.640 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.533 -6.534 -7.259 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.699 -5.302 -6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.547 -4.223 -7.971 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.909 -3.610 -7.866 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.634 -5.935 -9.448 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.093 -3.234 -10.586 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.330 -3.081 -11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.305 -5.663 -10.550 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.133 -4.446 -11.818 1.00 0.00 H new ATOM 214 N ASN A 13 -6.742 -9.245 -6.830 1.00 0.00 N ATOM 215 CA ASN A 13 -7.015 -10.306 -7.842 1.00 0.00 C ATOM 216 C ASN A 13 -7.672 -11.502 -7.166 1.00 0.00 C ATOM 217 O ASN A 13 -7.878 -11.509 -5.972 1.00 0.00 O ATOM 218 CB ASN A 13 -5.710 -10.771 -8.472 1.00 0.00 C ATOM 219 CG ASN A 13 -5.040 -9.606 -9.206 1.00 0.00 C ATOM 220 OD1 ASN A 13 -5.128 -9.508 -10.414 1.00 0.00 O ATOM 221 ND2 ASN A 13 -4.372 -8.714 -8.528 1.00 0.00 N ATOM 0 H ASN A 13 -6.728 -9.561 -5.860 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.673 -9.896 -8.608 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.043 -11.159 -7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.903 -11.588 -9.168 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.924 -7.936 -9.012 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.297 -8.795 -7.514 1.00 0.00 H new ATOM 228 N GLU A 14 -7.984 -12.517 -7.933 1.00 0.00 N ATOM 229 CA GLU A 14 -8.624 -13.738 -7.366 1.00 0.00 C ATOM 230 C GLU A 14 -10.115 -13.494 -7.209 1.00 0.00 C ATOM 231 O GLU A 14 -10.935 -14.059 -7.906 1.00 0.00 O ATOM 232 CB GLU A 14 -8.016 -14.063 -6.001 1.00 0.00 C ATOM 233 CG GLU A 14 -6.492 -13.955 -6.079 1.00 0.00 C ATOM 234 CD GLU A 14 -5.871 -15.346 -5.932 1.00 0.00 C ATOM 235 OE1 GLU A 14 -6.569 -16.314 -6.183 1.00 0.00 O ATOM 236 OE2 GLU A 14 -4.708 -15.418 -5.571 1.00 0.00 O ATOM 0 H GLU A 14 -7.819 -12.549 -8.939 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.455 -14.578 -8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.401 -13.376 -5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.304 -15.068 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.197 -13.513 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.123 -13.296 -5.293 1.00 0.00 H new ATOM 243 N ASN A 15 -10.460 -12.643 -6.305 1.00 0.00 N ATOM 244 CA ASN A 15 -11.896 -12.322 -6.083 1.00 0.00 C ATOM 245 C ASN A 15 -12.142 -10.889 -6.539 1.00 0.00 C ATOM 246 O ASN A 15 -13.074 -10.237 -6.111 1.00 0.00 O ATOM 247 CB ASN A 15 -12.234 -12.455 -4.597 1.00 0.00 C ATOM 248 CG ASN A 15 -13.751 -12.542 -4.429 1.00 0.00 C ATOM 249 OD1 ASN A 15 -14.495 -12.124 -5.294 1.00 0.00 O ATOM 250 ND2 ASN A 15 -14.247 -13.074 -3.346 1.00 0.00 N ATOM 0 H ASN A 15 -9.808 -12.145 -5.699 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.525 -13.010 -6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.759 -13.344 -4.183 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.844 -11.599 -4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.258 -13.139 -3.226 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.624 -13.425 -2.619 1.00 0.00 H new ATOM 257 N ASN A 16 -11.305 -10.395 -7.405 1.00 0.00 N ATOM 258 CA ASN A 16 -11.474 -9.001 -7.892 1.00 0.00 C ATOM 259 C ASN A 16 -11.650 -8.074 -6.685 1.00 0.00 C ATOM 260 O ASN A 16 -12.535 -7.242 -6.646 1.00 0.00 O ATOM 261 CB ASN A 16 -12.705 -8.933 -8.796 1.00 0.00 C ATOM 262 CG ASN A 16 -13.016 -7.476 -9.144 1.00 0.00 C ATOM 263 OD1 ASN A 16 -13.917 -6.886 -8.583 1.00 0.00 O ATOM 264 ND2 ASN A 16 -12.301 -6.867 -10.051 1.00 0.00 N ATOM 0 H ASN A 16 -10.509 -10.898 -7.797 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.599 -8.688 -8.461 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -12.529 -9.504 -9.708 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -13.560 -9.387 -8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.499 -5.895 -10.289 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.544 -7.363 -10.522 1.00 0.00 H new ATOM 271 N GLU A 17 -10.807 -8.213 -5.697 1.00 0.00 N ATOM 272 CA GLU A 17 -10.912 -7.345 -4.489 1.00 0.00 C ATOM 273 C GLU A 17 -9.503 -6.971 -4.038 1.00 0.00 C ATOM 274 O GLU A 17 -8.573 -7.736 -4.203 1.00 0.00 O ATOM 275 CB GLU A 17 -11.626 -8.106 -3.368 1.00 0.00 C ATOM 276 CG GLU A 17 -12.884 -8.775 -3.927 1.00 0.00 C ATOM 277 CD GLU A 17 -14.030 -8.645 -2.920 1.00 0.00 C ATOM 278 OE1 GLU A 17 -13.987 -7.728 -2.117 1.00 0.00 O ATOM 279 OE2 GLU A 17 -14.930 -9.467 -2.971 1.00 0.00 O ATOM 0 H GLU A 17 -10.047 -8.893 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.481 -6.445 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.960 -8.857 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.892 -7.422 -2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.164 -8.311 -4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.687 -9.827 -4.134 1.00 0.00 H new ATOM 286 N ILE A 18 -9.321 -5.806 -3.483 1.00 0.00 N ATOM 287 CA ILE A 18 -7.950 -5.417 -3.051 1.00 0.00 C ATOM 288 C ILE A 18 -7.758 -5.695 -1.564 1.00 0.00 C ATOM 289 O ILE A 18 -8.683 -5.633 -0.781 1.00 0.00 O ATOM 290 CB ILE A 18 -7.712 -3.922 -3.283 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.486 -3.441 -4.514 1.00 0.00 C ATOM 292 CG2 ILE A 18 -6.217 -3.662 -3.487 1.00 0.00 C ATOM 293 CD1 ILE A 18 -8.652 -1.922 -4.448 1.00 0.00 C ATOM 0 H ILE A 18 -10.051 -5.115 -3.311 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.245 -6.004 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.063 -3.374 -2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.954 -3.721 -5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.463 -3.923 -4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.052 -2.597 -3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.668 -3.981 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.865 -4.222 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.203 -1.578 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.202 -1.655 -3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.670 -1.449 -4.428 1.00 0.00 H new ATOM 305 N PHE A 19 -6.546 -5.948 -1.168 1.00 0.00 N ATOM 306 CA PHE A 19 -6.264 -6.172 0.274 1.00 0.00 C ATOM 307 C PHE A 19 -5.697 -4.866 0.815 1.00 0.00 C ATOM 308 O PHE A 19 -4.502 -4.713 0.980 1.00 0.00 O ATOM 309 CB PHE A 19 -5.235 -7.290 0.450 1.00 0.00 C ATOM 310 CG PHE A 19 -4.841 -7.372 1.906 1.00 0.00 C ATOM 311 CD1 PHE A 19 -5.775 -7.800 2.857 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.547 -7.013 2.308 1.00 0.00 C ATOM 313 CE1 PHE A 19 -5.417 -7.870 4.209 1.00 0.00 C ATOM 314 CE2 PHE A 19 -3.189 -7.085 3.661 1.00 0.00 C ATOM 315 CZ PHE A 19 -4.125 -7.513 4.610 1.00 0.00 C ATOM 0 H PHE A 19 -5.735 -6.010 -1.783 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.170 -6.466 0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.652 -8.241 0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.358 -7.095 -0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.772 -8.076 2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.826 -6.681 1.575 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.138 -8.200 4.942 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.192 -6.810 3.971 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.849 -7.568 5.653 1.00 0.00 H new ATOM 325 N ILE A 20 -6.543 -3.904 1.046 1.00 0.00 N ATOM 326 CA ILE A 20 -6.067 -2.588 1.518 1.00 0.00 C ATOM 327 C ILE A 20 -5.782 -2.626 3.008 1.00 0.00 C ATOM 328 O ILE A 20 -5.924 -3.635 3.662 1.00 0.00 O ATOM 329 CB ILE A 20 -7.167 -1.560 1.229 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.633 -0.127 1.265 1.00 0.00 C ATOM 331 CG2 ILE A 20 -8.294 -1.696 2.258 1.00 0.00 C ATOM 332 CD1 ILE A 20 -5.208 -0.079 0.713 1.00 0.00 C ATOM 0 H ILE A 20 -7.553 -3.979 0.925 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.143 -2.322 1.004 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.543 -1.761 0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.280 0.525 0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.647 0.248 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.071 -0.962 2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.717 -2.699 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -7.896 -1.524 3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.840 0.947 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.562 -0.715 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.205 -0.434 -0.317 1.00 0.00 H new ATOM 344 N THR A 21 -5.396 -1.512 3.537 1.00 0.00 N ATOM 345 CA THR A 21 -5.110 -1.424 4.985 1.00 0.00 C ATOM 346 C THR A 21 -6.141 -0.490 5.614 1.00 0.00 C ATOM 347 O THR A 21 -6.469 0.544 5.066 1.00 0.00 O ATOM 348 CB THR A 21 -3.710 -0.859 5.200 1.00 0.00 C ATOM 349 OG1 THR A 21 -3.184 -0.413 3.958 1.00 0.00 O ATOM 350 CG2 THR A 21 -2.803 -1.943 5.783 1.00 0.00 C ATOM 0 H THR A 21 -5.264 -0.643 3.020 1.00 0.00 H new ATOM 0 HA THR A 21 -5.163 -2.412 5.442 1.00 0.00 H new ATOM 0 HB THR A 21 -3.760 -0.020 5.894 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.285 -0.048 4.096 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.803 -1.537 5.936 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.207 -2.281 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.751 -2.785 5.092 1.00 0.00 H new ATOM 358 N ARG A 22 -6.667 -0.841 6.749 1.00 0.00 N ATOM 359 CA ARG A 22 -7.688 0.031 7.387 1.00 0.00 C ATOM 360 C ARG A 22 -7.262 0.361 8.817 1.00 0.00 C ATOM 361 O ARG A 22 -6.854 -0.498 9.572 1.00 0.00 O ATOM 362 CB ARG A 22 -9.031 -0.700 7.395 1.00 0.00 C ATOM 363 CG ARG A 22 -10.047 0.088 6.567 1.00 0.00 C ATOM 364 CD ARG A 22 -11.481 -0.394 6.852 1.00 0.00 C ATOM 365 NE ARG A 22 -11.485 -1.638 7.683 1.00 0.00 N ATOM 366 CZ ARG A 22 -12.562 -1.973 8.339 1.00 0.00 C ATOM 367 NH1 ARG A 22 -13.704 -1.413 8.049 1.00 0.00 N ATOM 368 NH2 ARG A 22 -12.497 -2.868 9.287 1.00 0.00 N ATOM 0 H ARG A 22 -6.436 -1.691 7.263 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.784 0.961 6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.913 -1.703 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.389 -0.813 8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.964 1.150 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.825 -0.027 5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.034 0.391 7.367 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.997 -0.582 5.910 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.650 -2.221 7.736 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.755 -0.713 7.309 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.546 -1.675 8.562 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.604 -3.305 9.515 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.339 -3.130 9.800 1.00 0.00 H new ATOM 492 N ASN A 31 -13.791 8.067 8.294 1.00 0.00 N ATOM 493 CA ASN A 31 -13.345 6.914 7.463 1.00 0.00 C ATOM 494 C ASN A 31 -11.971 7.221 6.866 1.00 0.00 C ATOM 495 O ASN A 31 -11.796 8.186 6.150 1.00 0.00 O ATOM 496 CB ASN A 31 -14.350 6.679 6.332 1.00 0.00 C ATOM 497 CG ASN A 31 -15.713 6.317 6.926 1.00 0.00 C ATOM 498 OD1 ASN A 31 -16.679 7.028 6.735 1.00 0.00 O ATOM 499 ND2 ASN A 31 -15.832 5.234 7.645 1.00 0.00 N ATOM 0 HA ASN A 31 -13.283 6.021 8.084 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.436 7.574 5.716 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.000 5.877 5.682 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.736 4.985 8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.021 4.637 7.806 1.00 0.00 H new ATOM 506 N LYS A 32 -10.993 6.409 7.155 1.00 0.00 N ATOM 507 CA LYS A 32 -9.633 6.657 6.604 1.00 0.00 C ATOM 508 C LYS A 32 -8.936 5.320 6.344 1.00 0.00 C ATOM 509 O LYS A 32 -8.834 4.481 7.215 1.00 0.00 O ATOM 510 CB LYS A 32 -8.818 7.471 7.611 1.00 0.00 C ATOM 511 CG LYS A 32 -9.389 8.888 7.708 1.00 0.00 C ATOM 512 CD LYS A 32 -8.881 9.727 6.533 1.00 0.00 C ATOM 513 CE LYS A 32 -8.053 10.899 7.061 1.00 0.00 C ATOM 514 NZ LYS A 32 -8.687 12.185 6.650 1.00 0.00 N ATOM 0 H LYS A 32 -11.077 5.584 7.749 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.714 7.211 5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.844 6.990 8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.773 7.509 7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.478 8.853 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.092 9.347 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.276 9.111 5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.722 10.097 5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.983 10.847 8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.036 10.843 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.022 12.968 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.933 12.144 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.549 12.342 7.210 1.00 0.00 H new ATOM 528 N LEU A 33 -8.449 5.124 5.151 1.00 0.00 N ATOM 529 CA LEU A 33 -7.751 3.859 4.821 1.00 0.00 C ATOM 530 C LEU A 33 -6.258 4.058 5.048 1.00 0.00 C ATOM 531 O LEU A 33 -5.843 5.010 5.676 1.00 0.00 O ATOM 532 CB LEU A 33 -8.013 3.526 3.354 1.00 0.00 C ATOM 533 CG LEU A 33 -9.443 2.995 3.163 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.518 2.190 1.866 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.836 2.086 4.330 1.00 0.00 C ATOM 0 H LEU A 33 -8.507 5.795 4.385 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.110 3.043 5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.866 4.416 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.295 2.781 3.011 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.126 3.843 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.532 1.813 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.253 2.830 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.823 1.352 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.851 1.719 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.148 1.242 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.789 2.649 5.262 1.00 0.00 H new ATOM 547 N GLU A 34 -5.436 3.184 4.548 1.00 0.00 N ATOM 548 CA GLU A 34 -3.985 3.370 4.754 1.00 0.00 C ATOM 549 C GLU A 34 -3.212 2.793 3.584 1.00 0.00 C ATOM 550 O GLU A 34 -3.746 2.527 2.525 1.00 0.00 O ATOM 551 CB GLU A 34 -3.539 2.671 6.034 1.00 0.00 C ATOM 552 CG GLU A 34 -2.527 3.552 6.764 1.00 0.00 C ATOM 553 CD GLU A 34 -2.988 3.775 8.205 1.00 0.00 C ATOM 554 OE1 GLU A 34 -3.935 4.522 8.395 1.00 0.00 O ATOM 555 OE2 GLU A 34 -2.388 3.197 9.095 1.00 0.00 O ATOM 0 H GLU A 34 -5.705 2.359 4.012 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.786 4.439 4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.399 2.478 6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.094 1.705 5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.545 3.080 6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.426 4.509 6.252 1.00 0.00 H new ATOM 562 N PHE A 35 -1.950 2.599 3.782 1.00 0.00 N ATOM 563 CA PHE A 35 -1.099 2.035 2.704 1.00 0.00 C ATOM 564 C PHE A 35 0.206 1.499 3.301 1.00 0.00 C ATOM 565 O PHE A 35 0.442 0.309 3.290 1.00 0.00 O ATOM 566 CB PHE A 35 -0.796 3.118 1.667 1.00 0.00 C ATOM 567 CG PHE A 35 -1.834 3.071 0.571 1.00 0.00 C ATOM 568 CD1 PHE A 35 -1.961 1.926 -0.223 1.00 0.00 C ATOM 569 CD2 PHE A 35 -2.666 4.175 0.348 1.00 0.00 C ATOM 570 CE1 PHE A 35 -2.921 1.884 -1.241 1.00 0.00 C ATOM 571 CE2 PHE A 35 -3.627 4.132 -0.669 1.00 0.00 C ATOM 572 CZ PHE A 35 -3.753 2.986 -1.464 1.00 0.00 C ATOM 0 H PHE A 35 -1.461 2.808 4.653 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.628 1.216 2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.796 4.100 2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.198 2.966 1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.319 1.075 -0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.566 5.059 0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.019 1.000 -1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.271 4.982 -0.840 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.493 2.953 -2.250 1.00 0.00 H new ATOM 582 N PRO A 36 1.022 2.389 3.812 1.00 0.00 N ATOM 583 CA PRO A 36 2.312 2.008 4.398 1.00 0.00 C ATOM 584 C PRO A 36 2.172 0.721 5.205 1.00 0.00 C ATOM 585 O PRO A 36 1.109 0.384 5.690 1.00 0.00 O ATOM 586 CB PRO A 36 2.701 3.201 5.275 1.00 0.00 C ATOM 587 CG PRO A 36 1.754 4.373 4.894 1.00 0.00 C ATOM 588 CD PRO A 36 0.728 3.830 3.882 1.00 0.00 C ATOM 0 HA PRO A 36 3.076 1.800 3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.601 2.952 6.331 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.742 3.477 5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.250 4.762 5.779 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.320 5.198 4.461 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.294 4.013 4.213 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.837 4.307 2.908 1.00 0.00 H new ATOM 596 N GLY A 37 3.238 -0.014 5.325 1.00 0.00 N ATOM 597 CA GLY A 37 3.182 -1.300 6.069 1.00 0.00 C ATOM 598 C GLY A 37 3.974 -1.191 7.367 1.00 0.00 C ATOM 599 O GLY A 37 3.437 -0.891 8.414 1.00 0.00 O ATOM 0 H GLY A 37 4.152 0.222 4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.146 -1.558 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.587 -2.103 5.453 1.00 0.00 H new ATOM 603 N GLY A 38 5.244 -1.443 7.302 1.00 0.00 N ATOM 604 CA GLY A 38 6.084 -1.367 8.529 1.00 0.00 C ATOM 605 C GLY A 38 7.138 -0.273 8.369 1.00 0.00 C ATOM 606 O GLY A 38 7.173 0.680 9.122 1.00 0.00 O ATOM 0 H GLY A 38 5.743 -1.700 6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.458 -1.157 9.397 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.568 -2.327 8.709 1.00 0.00 H new ATOM 610 N LYS A 39 8.001 -0.399 7.398 1.00 0.00 N ATOM 611 CA LYS A 39 9.050 0.637 7.205 1.00 0.00 C ATOM 612 C LYS A 39 10.068 0.166 6.164 1.00 0.00 C ATOM 613 O LYS A 39 10.012 -0.946 5.678 1.00 0.00 O ATOM 614 CB LYS A 39 9.766 0.873 8.535 1.00 0.00 C ATOM 615 CG LYS A 39 9.824 2.372 8.827 1.00 0.00 C ATOM 616 CD LYS A 39 10.014 2.589 10.329 1.00 0.00 C ATOM 617 CE LYS A 39 11.351 3.289 10.581 1.00 0.00 C ATOM 618 NZ LYS A 39 11.160 4.370 11.587 1.00 0.00 N ATOM 0 H LYS A 39 8.024 -1.172 6.733 1.00 0.00 H new ATOM 0 HA LYS A 39 8.585 1.560 6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.242 0.356 9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.774 0.461 8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.645 2.830 8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.906 2.855 8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.196 3.191 10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.989 1.632 10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.089 2.571 10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.737 3.706 9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.068 4.847 11.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.469 5.060 11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.810 3.959 12.476 1.00 0.00 H new ATOM 632 N ILE A 40 11.002 1.011 5.831 1.00 0.00 N ATOM 633 CA ILE A 40 12.045 0.642 4.834 1.00 0.00 C ATOM 634 C ILE A 40 13.364 1.300 5.272 1.00 0.00 C ATOM 635 O ILE A 40 13.568 2.487 5.104 1.00 0.00 O ATOM 636 CB ILE A 40 11.593 1.123 3.435 1.00 0.00 C ATOM 637 CG1 ILE A 40 11.345 -0.096 2.545 1.00 0.00 C ATOM 638 CG2 ILE A 40 12.653 2.014 2.773 1.00 0.00 C ATOM 639 CD1 ILE A 40 11.069 0.368 1.114 1.00 0.00 C ATOM 0 H ILE A 40 11.088 1.953 6.212 1.00 0.00 H new ATOM 0 HA ILE A 40 12.192 -0.437 4.779 1.00 0.00 H new ATOM 0 HB ILE A 40 10.682 1.709 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.212 -0.756 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.499 -0.670 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.300 2.332 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.832 2.890 3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.581 1.453 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.892 -0.499 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.189 1.011 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.929 0.923 0.739 1.00 0.00 H new ATOM 651 N GLU A 41 14.252 0.542 5.854 1.00 0.00 N ATOM 652 CA GLU A 41 15.540 1.131 6.315 1.00 0.00 C ATOM 653 C GLU A 41 16.707 0.305 5.776 1.00 0.00 C ATOM 654 O GLU A 41 17.858 0.640 5.971 1.00 0.00 O ATOM 655 CB GLU A 41 15.578 1.136 7.846 1.00 0.00 C ATOM 656 CG GLU A 41 15.028 -0.188 8.378 1.00 0.00 C ATOM 657 CD GLU A 41 15.969 -0.737 9.454 1.00 0.00 C ATOM 658 OE1 GLU A 41 16.551 0.064 10.167 1.00 0.00 O ATOM 659 OE2 GLU A 41 16.087 -1.947 9.549 1.00 0.00 O ATOM 0 H GLU A 41 14.142 -0.457 6.030 1.00 0.00 H new ATOM 0 HA GLU A 41 15.623 2.153 5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.601 1.282 8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.988 1.967 8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.031 -0.039 8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.930 -0.907 7.564 1.00 0.00 H new ATOM 666 N MET A 42 16.424 -0.770 5.094 1.00 0.00 N ATOM 667 CA MET A 42 17.525 -1.607 4.541 1.00 0.00 C ATOM 668 C MET A 42 18.461 -0.719 3.722 1.00 0.00 C ATOM 669 O MET A 42 19.635 -1.001 3.580 1.00 0.00 O ATOM 670 CB MET A 42 16.941 -2.700 3.643 1.00 0.00 C ATOM 671 CG MET A 42 16.525 -3.896 4.501 1.00 0.00 C ATOM 672 SD MET A 42 15.015 -3.486 5.412 1.00 0.00 S ATOM 673 CE MET A 42 14.521 -5.180 5.811 1.00 0.00 C ATOM 0 H MET A 42 15.481 -1.104 4.896 1.00 0.00 H new ATOM 0 HA MET A 42 18.077 -2.073 5.357 1.00 0.00 H new ATOM 0 HB2 MET A 42 16.081 -2.315 3.096 1.00 0.00 H new ATOM 0 HB3 MET A 42 17.678 -3.009 2.902 1.00 0.00 H new ATOM 0 HG2 MET A 42 16.357 -4.769 3.870 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.324 -4.154 5.196 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.594 -5.163 6.383 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.368 -5.741 4.889 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.303 -5.658 6.401 1.00 0.00 H new ATOM 683 N GLY A 43 17.951 0.353 3.178 1.00 0.00 N ATOM 684 CA GLY A 43 18.812 1.258 2.367 1.00 0.00 C ATOM 685 C GLY A 43 19.421 0.473 1.207 1.00 0.00 C ATOM 686 O GLY A 43 20.370 0.900 0.583 1.00 0.00 O ATOM 0 H GLY A 43 16.976 0.640 3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.224 2.093 1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.601 1.681 2.989 1.00 0.00 H new ATOM 690 N GLU A 44 18.879 -0.676 0.921 1.00 0.00 N ATOM 691 CA GLU A 44 19.420 -1.503 -0.192 1.00 0.00 C ATOM 692 C GLU A 44 18.778 -1.076 -1.514 1.00 0.00 C ATOM 693 O GLU A 44 19.356 -0.331 -2.280 1.00 0.00 O ATOM 694 CB GLU A 44 19.116 -2.978 0.079 1.00 0.00 C ATOM 695 CG GLU A 44 19.711 -3.379 1.429 1.00 0.00 C ATOM 696 CD GLU A 44 21.188 -3.734 1.252 1.00 0.00 C ATOM 697 OE1 GLU A 44 21.632 -3.791 0.117 1.00 0.00 O ATOM 698 OE2 GLU A 44 21.852 -3.944 2.255 1.00 0.00 O ATOM 0 H GLU A 44 18.081 -1.080 1.412 1.00 0.00 H new ATOM 0 HA GLU A 44 20.499 -1.361 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 44 18.039 -3.145 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.534 -3.599 -0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.606 -2.561 2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 44 19.168 -4.231 1.839 1.00 0.00 H new ATOM 705 N THR A 45 17.586 -1.536 -1.794 1.00 0.00 N ATOM 706 CA THR A 45 16.928 -1.145 -3.068 1.00 0.00 C ATOM 707 C THR A 45 15.409 -1.094 -2.878 1.00 0.00 C ATOM 708 O THR A 45 14.906 -1.376 -1.808 1.00 0.00 O ATOM 709 CB THR A 45 17.275 -2.155 -4.159 1.00 0.00 C ATOM 710 OG1 THR A 45 18.109 -3.166 -3.611 1.00 0.00 O ATOM 711 CG2 THR A 45 18.005 -1.438 -5.296 1.00 0.00 C ATOM 0 H THR A 45 17.045 -2.162 -1.197 1.00 0.00 H new ATOM 0 HA THR A 45 17.284 -0.158 -3.363 1.00 0.00 H new ATOM 0 HB THR A 45 16.364 -2.611 -4.548 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.463 -3.726 -4.334 1.00 0.00 H new ATOM 0 HG21 THR A 45 18.255 -2.156 -6.078 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.361 -0.661 -5.709 1.00 0.00 H new ATOM 0 HG23 THR A 45 18.920 -0.986 -4.913 1.00 0.00 H new ATOM 719 N PRO A 46 14.731 -0.709 -3.928 1.00 0.00 N ATOM 720 CA PRO A 46 13.264 -0.576 -3.923 1.00 0.00 C ATOM 721 C PRO A 46 12.586 -1.951 -3.941 1.00 0.00 C ATOM 722 O PRO A 46 11.592 -2.171 -3.278 1.00 0.00 O ATOM 723 CB PRO A 46 12.948 0.185 -5.218 1.00 0.00 C ATOM 724 CG PRO A 46 14.260 0.270 -6.044 1.00 0.00 C ATOM 725 CD PRO A 46 15.373 -0.368 -5.209 1.00 0.00 C ATOM 0 HA PRO A 46 12.903 -0.065 -3.030 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.171 -0.329 -5.784 1.00 0.00 H new ATOM 0 HB3 PRO A 46 12.571 1.183 -4.994 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.148 -0.250 -6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.501 1.308 -6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.776 -1.255 -5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.204 0.322 -5.064 1.00 0.00 H new ATOM 733 N GLU A 47 13.109 -2.872 -4.702 1.00 0.00 N ATOM 734 CA GLU A 47 12.487 -4.224 -4.771 1.00 0.00 C ATOM 735 C GLU A 47 13.011 -5.080 -3.622 1.00 0.00 C ATOM 736 O GLU A 47 12.262 -5.641 -2.867 1.00 0.00 O ATOM 737 CB GLU A 47 12.858 -4.879 -6.101 1.00 0.00 C ATOM 738 CG GLU A 47 11.614 -4.977 -6.987 1.00 0.00 C ATOM 739 CD GLU A 47 11.111 -6.422 -7.005 1.00 0.00 C ATOM 740 OE1 GLU A 47 11.891 -7.296 -7.347 1.00 0.00 O ATOM 741 OE2 GLU A 47 9.955 -6.630 -6.677 1.00 0.00 O ATOM 0 H GLU A 47 13.941 -2.747 -5.279 1.00 0.00 H new ATOM 0 HA GLU A 47 11.403 -4.135 -4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.630 -4.296 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.272 -5.872 -5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.834 -4.314 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.850 -4.650 -8.000 1.00 0.00 H new ATOM 748 N GLN A 48 14.300 -5.167 -3.494 1.00 0.00 N ATOM 749 CA GLN A 48 14.927 -5.958 -2.420 1.00 0.00 C ATOM 750 C GLN A 48 14.236 -5.687 -1.109 1.00 0.00 C ATOM 751 O GLN A 48 14.202 -6.504 -0.208 1.00 0.00 O ATOM 752 CB GLN A 48 16.367 -5.510 -2.307 1.00 0.00 C ATOM 753 CG GLN A 48 17.217 -6.733 -2.097 1.00 0.00 C ATOM 754 CD GLN A 48 18.683 -6.410 -2.389 1.00 0.00 C ATOM 755 OE1 GLN A 48 19.503 -6.392 -1.492 1.00 0.00 O ATOM 756 NE2 GLN A 48 19.050 -6.153 -3.614 1.00 0.00 N ATOM 0 H GLN A 48 14.964 -4.704 -4.115 1.00 0.00 H new ATOM 0 HA GLN A 48 14.855 -7.022 -2.647 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.674 -4.982 -3.210 1.00 0.00 H new ATOM 0 HB3 GLN A 48 16.486 -4.815 -1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 48 17.112 -7.087 -1.071 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.877 -7.538 -2.749 1.00 0.00 H new ATOM 0 HE21 GLN A 48 18.362 -6.168 -4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 48 20.025 -5.937 -3.819 1.00 0.00 H new ATOM 765 N ALA A 49 13.719 -4.532 -0.992 1.00 0.00 N ATOM 766 CA ALA A 49 13.043 -4.161 0.268 1.00 0.00 C ATOM 767 C ALA A 49 11.695 -4.890 0.393 1.00 0.00 C ATOM 768 O ALA A 49 11.463 -5.625 1.333 1.00 0.00 O ATOM 769 CB ALA A 49 12.817 -2.647 0.321 1.00 0.00 C ATOM 0 H ALA A 49 13.727 -3.811 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 49 13.682 -4.458 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.318 -2.386 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.777 -2.134 0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.195 -2.342 -0.521 1.00 0.00 H new ATOM 775 N VAL A 50 10.798 -4.680 -0.536 1.00 0.00 N ATOM 776 CA VAL A 50 9.456 -5.341 -0.463 1.00 0.00 C ATOM 777 C VAL A 50 9.520 -6.774 -0.996 1.00 0.00 C ATOM 778 O VAL A 50 8.549 -7.504 -0.962 1.00 0.00 O ATOM 779 CB VAL A 50 8.470 -4.519 -1.290 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.375 -5.054 -2.728 1.00 0.00 C ATOM 781 CG2 VAL A 50 7.090 -4.572 -0.644 1.00 0.00 C ATOM 0 H VAL A 50 10.936 -4.077 -1.347 1.00 0.00 H new ATOM 0 HA VAL A 50 9.132 -5.389 0.577 1.00 0.00 H new ATOM 0 HB VAL A 50 8.829 -3.490 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.666 -4.450 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.356 -5.002 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.036 -6.090 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.388 -3.985 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.749 -5.606 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.145 -4.163 0.365 1.00 0.00 H new ATOM 791 N VAL A 51 10.650 -7.181 -1.473 1.00 0.00 N ATOM 792 CA VAL A 51 10.784 -8.557 -1.993 1.00 0.00 C ATOM 793 C VAL A 51 11.010 -9.427 -0.778 1.00 0.00 C ATOM 794 O VAL A 51 10.400 -10.458 -0.582 1.00 0.00 O ATOM 795 CB VAL A 51 11.977 -8.604 -2.951 1.00 0.00 C ATOM 796 CG1 VAL A 51 13.283 -8.632 -2.172 1.00 0.00 C ATOM 797 CG2 VAL A 51 11.892 -9.845 -3.809 1.00 0.00 C ATOM 0 H VAL A 51 11.496 -6.614 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 51 9.909 -8.897 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 51 11.952 -7.713 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.121 -8.665 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.358 -7.736 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 51 13.307 -9.515 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.743 -9.876 -4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.905 -10.729 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.967 -9.826 -4.385 1.00 0.00 H new ATOM 807 N ARG A 52 11.872 -8.954 0.059 1.00 0.00 N ATOM 808 CA ARG A 52 12.177 -9.636 1.318 1.00 0.00 C ATOM 809 C ARG A 52 10.969 -9.497 2.239 1.00 0.00 C ATOM 810 O ARG A 52 10.720 -10.334 3.082 1.00 0.00 O ATOM 811 CB ARG A 52 13.375 -8.935 1.948 1.00 0.00 C ATOM 812 CG ARG A 52 14.575 -9.870 1.928 1.00 0.00 C ATOM 813 CD ARG A 52 14.565 -10.741 3.186 1.00 0.00 C ATOM 814 NE ARG A 52 14.365 -12.167 2.804 1.00 0.00 N ATOM 815 CZ ARG A 52 14.625 -13.115 3.663 1.00 0.00 C ATOM 816 NH1 ARG A 52 14.526 -12.879 4.943 1.00 0.00 N ATOM 817 NH2 ARG A 52 14.987 -14.296 3.244 1.00 0.00 N ATOM 0 H ARG A 52 12.394 -8.090 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 52 12.399 -10.691 1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.604 -8.020 1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.143 -8.645 2.973 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.545 -10.498 1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.498 -9.293 1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 52 15.504 -10.627 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.769 -10.419 3.858 1.00 0.00 H new ATOM 0 HE ARG A 52 14.025 -12.403 1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.246 -11.955 5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.729 -13.619 5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.067 -14.480 2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.190 -15.036 3.916 1.00 0.00 H new ATOM 831 N GLU A 53 10.210 -8.437 2.087 1.00 0.00 N ATOM 832 CA GLU A 53 9.028 -8.259 2.968 1.00 0.00 C ATOM 833 C GLU A 53 7.902 -9.182 2.507 1.00 0.00 C ATOM 834 O GLU A 53 6.980 -9.439 3.241 1.00 0.00 O ATOM 835 CB GLU A 53 8.557 -6.805 2.909 1.00 0.00 C ATOM 836 CG GLU A 53 9.570 -5.913 3.630 1.00 0.00 C ATOM 837 CD GLU A 53 8.837 -4.990 4.605 1.00 0.00 C ATOM 838 OE1 GLU A 53 8.307 -3.987 4.156 1.00 0.00 O ATOM 839 OE2 GLU A 53 8.818 -5.303 5.784 1.00 0.00 O ATOM 0 H GLU A 53 10.361 -7.700 1.398 1.00 0.00 H new ATOM 0 HA GLU A 53 9.302 -8.508 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.450 -6.488 1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.576 -6.710 3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.293 -6.527 4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.130 -5.322 2.905 1.00 0.00 H new ATOM 846 N LEU A 54 7.970 -9.675 1.297 1.00 0.00 N ATOM 847 CA LEU A 54 6.892 -10.580 0.790 1.00 0.00 C ATOM 848 C LEU A 54 6.962 -11.940 1.491 1.00 0.00 C ATOM 849 O LEU A 54 5.991 -12.415 2.048 1.00 0.00 O ATOM 850 CB LEU A 54 7.055 -10.765 -0.722 1.00 0.00 C ATOM 851 CG LEU A 54 6.078 -9.838 -1.454 1.00 0.00 C ATOM 852 CD1 LEU A 54 6.386 -9.826 -2.953 1.00 0.00 C ATOM 853 CD2 LEU A 54 4.649 -10.336 -1.239 1.00 0.00 C ATOM 0 H LEU A 54 8.725 -9.491 0.637 1.00 0.00 H new ATOM 0 HA LEU A 54 5.922 -10.131 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.079 -10.540 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.864 -11.803 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 54 6.183 -8.828 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.686 -9.164 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.404 -9.470 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.288 -10.835 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.952 -9.678 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.554 -11.348 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.421 -10.337 -0.173 1.00 0.00 H new ATOM 865 N GLN A 55 8.088 -12.589 1.451 1.00 0.00 N ATOM 866 CA GLN A 55 8.189 -13.925 2.101 1.00 0.00 C ATOM 867 C GLN A 55 8.452 -13.795 3.609 1.00 0.00 C ATOM 868 O GLN A 55 7.964 -14.585 4.394 1.00 0.00 O ATOM 869 CB GLN A 55 9.321 -14.722 1.452 1.00 0.00 C ATOM 870 CG GLN A 55 8.853 -15.265 0.100 1.00 0.00 C ATOM 871 CD GLN A 55 9.029 -16.784 0.071 1.00 0.00 C ATOM 872 OE1 GLN A 55 9.706 -17.313 -0.789 1.00 0.00 O ATOM 873 NE2 GLN A 55 8.444 -17.515 0.979 1.00 0.00 N ATOM 0 H GLN A 55 8.940 -12.256 0.999 1.00 0.00 H new ATOM 0 HA GLN A 55 7.240 -14.443 1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.197 -14.087 1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.620 -15.544 2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.807 -15.006 -0.065 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.426 -14.807 -0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.876 -17.073 1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.555 -18.529 0.967 1.00 0.00 H new ATOM 882 N GLU A 56 9.236 -12.836 4.027 1.00 0.00 N ATOM 883 CA GLU A 56 9.535 -12.714 5.488 1.00 0.00 C ATOM 884 C GLU A 56 8.395 -12.007 6.240 1.00 0.00 C ATOM 885 O GLU A 56 8.631 -11.282 7.185 1.00 0.00 O ATOM 886 CB GLU A 56 10.856 -11.950 5.682 1.00 0.00 C ATOM 887 CG GLU A 56 10.612 -10.436 5.689 1.00 0.00 C ATOM 888 CD GLU A 56 10.780 -9.896 7.110 1.00 0.00 C ATOM 889 OE1 GLU A 56 11.566 -10.466 7.849 1.00 0.00 O ATOM 890 OE2 GLU A 56 10.121 -8.922 7.435 1.00 0.00 O ATOM 0 H GLU A 56 9.679 -12.138 3.429 1.00 0.00 H new ATOM 0 HA GLU A 56 9.630 -13.718 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.322 -12.252 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.551 -12.207 4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.312 -9.941 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.609 -10.217 5.322 1.00 0.00 H new ATOM 897 N GLU A 57 7.164 -12.212 5.850 1.00 0.00 N ATOM 898 CA GLU A 57 6.042 -11.546 6.577 1.00 0.00 C ATOM 899 C GLU A 57 4.784 -12.415 6.512 1.00 0.00 C ATOM 900 O GLU A 57 4.223 -12.795 7.521 1.00 0.00 O ATOM 901 CB GLU A 57 5.745 -10.190 5.934 1.00 0.00 C ATOM 902 CG GLU A 57 6.559 -9.099 6.631 1.00 0.00 C ATOM 903 CD GLU A 57 5.661 -8.339 7.610 1.00 0.00 C ATOM 904 OE1 GLU A 57 5.110 -8.974 8.494 1.00 0.00 O ATOM 905 OE2 GLU A 57 5.540 -7.135 7.459 1.00 0.00 O ATOM 0 H GLU A 57 6.888 -12.805 5.068 1.00 0.00 H new ATOM 0 HA GLU A 57 6.333 -11.406 7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.991 -10.218 4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.681 -9.967 6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.401 -9.542 7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.974 -8.412 5.893 1.00 0.00 H new ATOM 912 N VAL A 58 4.328 -12.717 5.330 1.00 0.00 N ATOM 913 CA VAL A 58 3.105 -13.536 5.179 1.00 0.00 C ATOM 914 C VAL A 58 3.443 -14.773 4.337 1.00 0.00 C ATOM 915 O VAL A 58 2.688 -15.722 4.262 1.00 0.00 O ATOM 916 CB VAL A 58 2.026 -12.669 4.521 1.00 0.00 C ATOM 917 CG1 VAL A 58 2.280 -12.498 3.023 1.00 0.00 C ATOM 918 CG2 VAL A 58 0.680 -13.304 4.724 1.00 0.00 C ATOM 0 H VAL A 58 4.760 -12.425 4.453 1.00 0.00 H new ATOM 0 HA VAL A 58 2.728 -13.880 6.142 1.00 0.00 H new ATOM 0 HB VAL A 58 2.055 -11.684 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.495 -11.878 2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.247 -12.019 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.279 -13.475 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.087 -12.687 4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.674 -14.296 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.476 -13.390 5.791 1.00 0.00 H new ATOM 928 N GLY A 59 4.609 -14.773 3.747 1.00 0.00 N ATOM 929 CA GLY A 59 5.080 -15.935 2.950 1.00 0.00 C ATOM 930 C GLY A 59 4.172 -16.247 1.758 1.00 0.00 C ATOM 931 O GLY A 59 3.473 -17.240 1.742 1.00 0.00 O ATOM 0 H GLY A 59 5.268 -13.995 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.089 -15.737 2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.139 -16.812 3.595 1.00 0.00 H new ATOM 935 N ILE A 60 4.216 -15.435 0.742 1.00 0.00 N ATOM 936 CA ILE A 60 3.398 -15.716 -0.475 1.00 0.00 C ATOM 937 C ILE A 60 4.342 -16.056 -1.622 1.00 0.00 C ATOM 938 O ILE A 60 5.549 -16.021 -1.482 1.00 0.00 O ATOM 939 CB ILE A 60 2.588 -14.485 -0.895 1.00 0.00 C ATOM 940 CG1 ILE A 60 3.052 -13.255 -0.120 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.101 -14.721 -0.633 1.00 0.00 C ATOM 942 CD1 ILE A 60 2.261 -12.044 -0.602 1.00 0.00 C ATOM 0 H ILE A 60 4.782 -14.588 0.698 1.00 0.00 H new ATOM 0 HA ILE A 60 2.716 -16.536 -0.249 1.00 0.00 H new ATOM 0 HB ILE A 60 2.745 -14.315 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.901 -13.403 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.119 -13.094 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.534 -13.840 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.763 -15.584 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.944 -14.907 0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.583 -11.158 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.435 -11.896 -1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.198 -12.211 -0.428 1.00 0.00 H new ATOM 954 N THR A 61 3.801 -16.332 -2.771 1.00 0.00 N ATOM 955 CA THR A 61 4.657 -16.613 -3.949 1.00 0.00 C ATOM 956 C THR A 61 4.120 -15.761 -5.091 1.00 0.00 C ATOM 957 O THR A 61 3.273 -16.195 -5.847 1.00 0.00 O ATOM 958 CB THR A 61 4.611 -18.088 -4.335 1.00 0.00 C ATOM 959 OG1 THR A 61 4.957 -18.885 -3.211 1.00 0.00 O ATOM 960 CG2 THR A 61 5.615 -18.316 -5.462 1.00 0.00 C ATOM 0 H THR A 61 2.797 -16.375 -2.945 1.00 0.00 H new ATOM 0 HA THR A 61 5.697 -16.377 -3.723 1.00 0.00 H new ATOM 0 HB THR A 61 3.609 -18.364 -4.664 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.926 -19.832 -3.460 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.600 -19.366 -5.756 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.348 -17.696 -6.318 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.614 -18.049 -5.118 1.00 0.00 H new ATOM 968 N PRO A 62 4.602 -14.552 -5.150 1.00 0.00 N ATOM 969 CA PRO A 62 4.154 -13.583 -6.154 1.00 0.00 C ATOM 970 C PRO A 62 4.419 -14.107 -7.559 1.00 0.00 C ATOM 971 O PRO A 62 5.507 -14.534 -7.886 1.00 0.00 O ATOM 972 CB PRO A 62 4.964 -12.319 -5.868 1.00 0.00 C ATOM 973 CG PRO A 62 5.955 -12.647 -4.723 1.00 0.00 C ATOM 974 CD PRO A 62 5.644 -14.063 -4.233 1.00 0.00 C ATOM 0 HA PRO A 62 3.082 -13.394 -6.100 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.502 -11.999 -6.760 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.306 -11.499 -5.581 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.984 -12.582 -5.077 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.851 -11.929 -3.910 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.530 -14.697 -4.265 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.293 -14.057 -3.201 1.00 0.00 H new ATOM 982 N GLN A 63 3.419 -14.082 -8.385 1.00 0.00 N ATOM 983 CA GLN A 63 3.583 -14.582 -9.767 1.00 0.00 C ATOM 984 C GLN A 63 4.178 -13.478 -10.642 1.00 0.00 C ATOM 985 O GLN A 63 4.993 -13.736 -11.505 1.00 0.00 O ATOM 986 CB GLN A 63 2.217 -15.011 -10.297 1.00 0.00 C ATOM 987 CG GLN A 63 1.458 -15.741 -9.183 1.00 0.00 C ATOM 988 CD GLN A 63 1.039 -17.128 -9.673 1.00 0.00 C ATOM 989 OE1 GLN A 63 1.545 -18.129 -9.207 1.00 0.00 O ATOM 990 NE2 GLN A 63 0.132 -17.230 -10.606 1.00 0.00 N ATOM 0 H GLN A 63 2.488 -13.733 -8.159 1.00 0.00 H new ATOM 0 HA GLN A 63 4.259 -15.437 -9.784 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.652 -14.141 -10.630 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.336 -15.664 -11.162 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.088 -15.832 -8.298 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.579 -15.166 -8.891 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.293 -16.390 -10.998 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.151 -18.150 -10.943 1.00 0.00 H new ATOM 999 N HIS A 64 3.790 -12.245 -10.434 1.00 0.00 N ATOM 1000 CA HIS A 64 4.367 -11.160 -11.275 1.00 0.00 C ATOM 1001 C HIS A 64 4.025 -9.774 -10.716 1.00 0.00 C ATOM 1002 O HIS A 64 3.539 -8.923 -11.435 1.00 0.00 O ATOM 1003 CB HIS A 64 3.805 -11.280 -12.692 1.00 0.00 C ATOM 1004 CG HIS A 64 4.622 -10.435 -13.631 1.00 0.00 C ATOM 1005 ND1 HIS A 64 5.658 -9.627 -13.187 1.00 0.00 N ATOM 1006 CD2 HIS A 64 4.564 -10.255 -14.991 1.00 0.00 C ATOM 1007 CE1 HIS A 64 6.175 -9.003 -14.261 1.00 0.00 C ATOM 1008 NE2 HIS A 64 5.545 -9.349 -15.387 1.00 0.00 N ATOM 0 H HIS A 64 3.112 -11.949 -9.732 1.00 0.00 H new ATOM 0 HA HIS A 64 5.452 -11.268 -11.278 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.823 -12.321 -13.014 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.764 -10.959 -12.710 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.864 -10.742 -15.653 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.999 -8.307 -14.218 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.740 -9.021 -16.333 1.00 0.00 H new ATOM 1016 N PHE A 65 4.274 -9.519 -9.454 1.00 0.00 N ATOM 1017 CA PHE A 65 3.961 -8.171 -8.912 1.00 0.00 C ATOM 1018 C PHE A 65 4.485 -7.106 -9.866 1.00 0.00 C ATOM 1019 O PHE A 65 5.170 -7.393 -10.829 1.00 0.00 O ATOM 1020 CB PHE A 65 4.620 -7.974 -7.547 1.00 0.00 C ATOM 1021 CG PHE A 65 6.035 -8.501 -7.552 1.00 0.00 C ATOM 1022 CD1 PHE A 65 6.984 -7.961 -8.428 1.00 0.00 C ATOM 1023 CD2 PHE A 65 6.402 -9.516 -6.661 1.00 0.00 C ATOM 1024 CE1 PHE A 65 8.301 -8.436 -8.411 1.00 0.00 C ATOM 1025 CE2 PHE A 65 7.717 -9.994 -6.647 1.00 0.00 C ATOM 1026 CZ PHE A 65 8.667 -9.453 -7.521 1.00 0.00 C ATOM 0 H PHE A 65 4.675 -10.180 -8.788 1.00 0.00 H new ATOM 0 HA PHE A 65 2.880 -8.085 -8.804 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.623 -6.915 -7.289 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.039 -8.487 -6.781 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.701 -7.179 -9.116 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.670 -9.931 -5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.035 -8.018 -9.084 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.999 -10.780 -5.962 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.683 -9.820 -7.509 1.00 0.00 H new ATOM 1036 N SER A 66 4.173 -5.876 -9.597 1.00 0.00 N ATOM 1037 CA SER A 66 4.653 -4.775 -10.482 1.00 0.00 C ATOM 1038 C SER A 66 4.569 -3.443 -9.737 1.00 0.00 C ATOM 1039 O SER A 66 3.805 -3.290 -8.805 1.00 0.00 O ATOM 1040 CB SER A 66 3.782 -4.716 -11.737 1.00 0.00 C ATOM 1041 OG SER A 66 4.595 -4.923 -12.883 1.00 0.00 O ATOM 0 H SER A 66 3.606 -5.579 -8.803 1.00 0.00 H new ATOM 0 HA SER A 66 5.688 -4.963 -10.766 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.002 -5.476 -11.688 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.282 -3.750 -11.801 1.00 0.00 H new ATOM 0 HG SER A 66 4.039 -4.887 -13.689 1.00 0.00 H new ATOM 1047 N LEU A 67 5.339 -2.472 -10.146 1.00 0.00 N ATOM 1048 CA LEU A 67 5.285 -1.150 -9.463 1.00 0.00 C ATOM 1049 C LEU A 67 4.691 -0.115 -10.418 1.00 0.00 C ATOM 1050 O LEU A 67 5.387 0.491 -11.207 1.00 0.00 O ATOM 1051 CB LEU A 67 6.692 -0.720 -9.040 1.00 0.00 C ATOM 1052 CG LEU A 67 6.623 0.645 -8.352 1.00 0.00 C ATOM 1053 CD1 LEU A 67 5.896 0.514 -7.010 1.00 0.00 C ATOM 1054 CD2 LEU A 67 8.040 1.172 -8.115 1.00 0.00 C ATOM 0 H LEU A 67 6.000 -2.537 -10.920 1.00 0.00 H new ATOM 0 HA LEU A 67 4.660 -1.227 -8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.122 -1.459 -8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.345 -0.668 -9.911 1.00 0.00 H new ATOM 0 HG LEU A 67 6.078 1.340 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.850 1.489 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.885 0.144 -7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.436 -0.185 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.989 2.144 -7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.586 0.474 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.555 1.274 -9.070 1.00 0.00 H new ATOM 1066 N PHE A 68 3.404 0.080 -10.354 1.00 0.00 N ATOM 1067 CA PHE A 68 2.752 1.061 -11.258 1.00 0.00 C ATOM 1068 C PHE A 68 3.448 2.418 -11.132 1.00 0.00 C ATOM 1069 O PHE A 68 3.966 2.958 -12.087 1.00 0.00 O ATOM 1070 CB PHE A 68 1.257 1.154 -10.894 1.00 0.00 C ATOM 1071 CG PHE A 68 0.928 2.383 -10.076 1.00 0.00 C ATOM 1072 CD1 PHE A 68 0.800 3.627 -10.706 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.751 2.277 -8.692 1.00 0.00 C ATOM 1074 CE1 PHE A 68 0.497 4.765 -9.951 1.00 0.00 C ATOM 1075 CE2 PHE A 68 0.448 3.415 -7.937 1.00 0.00 C ATOM 1076 CZ PHE A 68 0.321 4.661 -8.567 1.00 0.00 C ATOM 0 H PHE A 68 2.775 -0.401 -9.711 1.00 0.00 H new ATOM 0 HA PHE A 68 2.837 0.740 -12.296 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.665 1.163 -11.809 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.968 0.264 -10.336 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.935 3.708 -11.774 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.848 1.317 -8.207 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.399 5.725 -10.437 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.312 3.334 -6.869 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.087 5.540 -7.984 1.00 0.00 H new ATOM 1086 N GLU A 69 3.453 2.964 -9.957 1.00 0.00 N ATOM 1087 CA GLU A 69 4.104 4.287 -9.749 1.00 0.00 C ATOM 1088 C GLU A 69 4.234 4.578 -8.251 1.00 0.00 C ATOM 1089 O GLU A 69 3.351 4.278 -7.471 1.00 0.00 O ATOM 1090 CB GLU A 69 3.252 5.377 -10.404 1.00 0.00 C ATOM 1091 CG GLU A 69 4.163 6.468 -10.967 1.00 0.00 C ATOM 1092 CD GLU A 69 4.595 6.089 -12.386 1.00 0.00 C ATOM 1093 OE1 GLU A 69 3.880 6.432 -13.313 1.00 0.00 O ATOM 1094 OE2 GLU A 69 5.635 5.465 -12.520 1.00 0.00 O ATOM 0 H GLU A 69 3.033 2.552 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 69 5.097 4.272 -10.198 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.645 4.949 -11.201 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.564 5.804 -9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.640 7.424 -10.978 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.038 6.591 -10.329 1.00 0.00 H new ATOM 1101 N LYS A 70 5.327 5.166 -7.848 1.00 0.00 N ATOM 1102 CA LYS A 70 5.522 5.488 -6.404 1.00 0.00 C ATOM 1103 C LYS A 70 5.726 6.997 -6.253 1.00 0.00 C ATOM 1104 O LYS A 70 6.410 7.620 -7.041 1.00 0.00 O ATOM 1105 CB LYS A 70 6.757 4.746 -5.878 1.00 0.00 C ATOM 1106 CG LYS A 70 7.212 5.367 -4.554 1.00 0.00 C ATOM 1107 CD LYS A 70 8.422 6.270 -4.800 1.00 0.00 C ATOM 1108 CE LYS A 70 9.636 5.412 -5.163 1.00 0.00 C ATOM 1109 NZ LYS A 70 10.881 6.104 -4.724 1.00 0.00 N ATOM 0 H LYS A 70 6.097 5.439 -8.459 1.00 0.00 H new ATOM 0 HA LYS A 70 4.646 5.177 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.524 3.691 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.563 4.798 -6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.399 5.944 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.470 4.583 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.207 6.973 -5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.635 6.861 -3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.561 4.436 -4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.664 5.238 -6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.707 5.522 -4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.952 7.026 -5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.853 6.248 -3.694 1.00 0.00 H new ATOM 1123 N LEU A 71 5.139 7.594 -5.251 1.00 0.00 N ATOM 1124 CA LEU A 71 5.309 9.063 -5.066 1.00 0.00 C ATOM 1125 C LEU A 71 6.172 9.337 -3.834 1.00 0.00 C ATOM 1126 O LEU A 71 6.737 8.438 -3.243 1.00 0.00 O ATOM 1127 CB LEU A 71 3.942 9.727 -4.880 1.00 0.00 C ATOM 1128 CG LEU A 71 3.043 8.845 -4.008 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.759 8.501 -2.701 1.00 0.00 C ATOM 1130 CD2 LEU A 71 1.754 9.603 -3.689 1.00 0.00 C ATOM 0 H LEU A 71 4.553 7.131 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 71 5.796 9.474 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.064 10.706 -4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.473 9.890 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 71 2.813 7.925 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.113 7.874 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.682 7.965 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.993 9.419 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.110 8.980 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.995 10.522 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.237 9.848 -4.617 1.00 0.00 H new ATOM 1142 N GLU A 72 6.270 10.576 -3.442 1.00 0.00 N ATOM 1143 CA GLU A 72 7.089 10.922 -2.247 1.00 0.00 C ATOM 1144 C GLU A 72 6.405 12.061 -1.488 1.00 0.00 C ATOM 1145 O GLU A 72 5.407 12.597 -1.928 1.00 0.00 O ATOM 1146 CB GLU A 72 8.485 11.365 -2.694 1.00 0.00 C ATOM 1147 CG GLU A 72 8.370 12.616 -3.566 1.00 0.00 C ATOM 1148 CD GLU A 72 9.525 13.566 -3.249 1.00 0.00 C ATOM 1149 OE1 GLU A 72 10.135 13.400 -2.205 1.00 0.00 O ATOM 1150 OE2 GLU A 72 9.782 14.445 -4.055 1.00 0.00 O ATOM 0 H GLU A 72 5.817 11.367 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 72 7.182 10.052 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.108 11.572 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.971 10.564 -3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.391 12.340 -4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.417 13.112 -3.385 1.00 0.00 H new ATOM 1157 N TYR A 73 6.924 12.439 -0.352 1.00 0.00 N ATOM 1158 CA TYR A 73 6.283 13.541 0.419 1.00 0.00 C ATOM 1159 C TYR A 73 7.336 14.300 1.228 1.00 0.00 C ATOM 1160 O TYR A 73 8.437 13.830 1.436 1.00 0.00 O ATOM 1161 CB TYR A 73 5.235 12.955 1.367 1.00 0.00 C ATOM 1162 CG TYR A 73 4.050 13.886 1.442 1.00 0.00 C ATOM 1163 CD1 TYR A 73 3.168 13.984 0.359 1.00 0.00 C ATOM 1164 CD2 TYR A 73 3.834 14.652 2.594 1.00 0.00 C ATOM 1165 CE1 TYR A 73 2.070 14.849 0.428 1.00 0.00 C ATOM 1166 CE2 TYR A 73 2.736 15.518 2.661 1.00 0.00 C ATOM 1167 CZ TYR A 73 1.855 15.616 1.579 1.00 0.00 C ATOM 1168 OH TYR A 73 0.775 16.472 1.647 1.00 0.00 O ATOM 0 H TYR A 73 7.759 12.035 0.073 1.00 0.00 H new ATOM 0 HA TYR A 73 5.805 14.231 -0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.918 11.973 1.015 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.664 12.814 2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.335 13.392 -0.529 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.514 14.575 3.430 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.389 14.925 -0.407 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.569 16.111 3.548 1.00 0.00 H new ATOM 0 HH TYR A 73 0.773 16.927 2.515 1.00 0.00 H new ATOM 1178 N GLU A 74 7.001 15.475 1.685 1.00 0.00 N ATOM 1179 CA GLU A 74 7.969 16.277 2.483 1.00 0.00 C ATOM 1180 C GLU A 74 7.219 17.008 3.595 1.00 0.00 C ATOM 1181 O GLU A 74 6.477 17.938 3.342 1.00 0.00 O ATOM 1182 CB GLU A 74 8.658 17.300 1.579 1.00 0.00 C ATOM 1183 CG GLU A 74 10.152 17.347 1.908 1.00 0.00 C ATOM 1184 CD GLU A 74 10.886 18.161 0.842 1.00 0.00 C ATOM 1185 OE1 GLU A 74 10.298 18.405 -0.199 1.00 0.00 O ATOM 1186 OE2 GLU A 74 12.025 18.526 1.084 1.00 0.00 O ATOM 0 H GLU A 74 6.093 15.916 1.539 1.00 0.00 H new ATOM 0 HA GLU A 74 8.719 15.616 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.513 17.032 0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.212 18.285 1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.305 17.794 2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.557 16.336 1.951 1.00 0.00 H new ATOM 1193 N PHE A 75 7.399 16.605 4.823 1.00 0.00 N ATOM 1194 CA PHE A 75 6.684 17.298 5.929 1.00 0.00 C ATOM 1195 C PHE A 75 7.414 18.606 6.249 1.00 0.00 C ATOM 1196 O PHE A 75 8.467 18.868 5.703 1.00 0.00 O ATOM 1197 CB PHE A 75 6.662 16.390 7.159 1.00 0.00 C ATOM 1198 CG PHE A 75 5.247 15.918 7.398 1.00 0.00 C ATOM 1199 CD1 PHE A 75 4.521 15.336 6.350 1.00 0.00 C ATOM 1200 CD2 PHE A 75 4.657 16.066 8.659 1.00 0.00 C ATOM 1201 CE1 PHE A 75 3.207 14.904 6.565 1.00 0.00 C ATOM 1202 CE2 PHE A 75 3.342 15.633 8.873 1.00 0.00 C ATOM 1203 CZ PHE A 75 2.618 15.053 7.826 1.00 0.00 C ATOM 0 H PHE A 75 8.004 15.834 5.106 1.00 0.00 H new ATOM 0 HA PHE A 75 5.658 17.522 5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.323 15.536 7.008 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.031 16.929 8.031 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.975 15.221 5.377 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.216 16.514 9.467 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.647 14.455 5.758 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.887 15.747 9.846 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.604 14.720 7.991 1.00 0.00 H new ATOM 1213 N PRO A 76 6.833 19.401 7.116 1.00 0.00 N ATOM 1214 CA PRO A 76 7.426 20.691 7.501 1.00 0.00 C ATOM 1215 C PRO A 76 8.877 20.481 7.918 1.00 0.00 C ATOM 1216 O PRO A 76 9.706 21.362 7.817 1.00 0.00 O ATOM 1217 CB PRO A 76 6.562 21.187 8.668 1.00 0.00 C ATOM 1218 CG PRO A 76 5.355 20.219 8.796 1.00 0.00 C ATOM 1219 CD PRO A 76 5.562 19.078 7.786 1.00 0.00 C ATOM 0 HA PRO A 76 7.441 21.418 6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.139 21.205 9.592 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.219 22.206 8.486 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.287 19.825 9.810 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.421 20.743 8.594 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.612 18.111 8.286 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.740 19.026 7.072 1.00 0.00 H new ATOM 1227 N ASP A 77 9.180 19.304 8.369 1.00 0.00 N ATOM 1228 CA ASP A 77 10.572 18.992 8.783 1.00 0.00 C ATOM 1229 C ASP A 77 10.882 17.512 8.516 1.00 0.00 C ATOM 1230 O ASP A 77 11.955 17.034 8.830 1.00 0.00 O ATOM 1231 CB ASP A 77 10.746 19.290 10.273 1.00 0.00 C ATOM 1232 CG ASP A 77 12.235 19.405 10.601 1.00 0.00 C ATOM 1233 OD1 ASP A 77 13.038 19.091 9.738 1.00 0.00 O ATOM 1234 OD2 ASP A 77 12.549 19.806 11.710 1.00 0.00 O ATOM 0 H ASP A 77 8.518 18.535 8.471 1.00 0.00 H new ATOM 0 HA ASP A 77 11.260 19.610 8.206 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.233 20.217 10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.292 18.498 10.868 1.00 0.00 H new ATOM 1239 N ARG A 78 9.957 16.776 7.952 1.00 0.00 N ATOM 1240 CA ARG A 78 10.202 15.350 7.685 1.00 0.00 C ATOM 1241 C ARG A 78 10.018 15.070 6.194 1.00 0.00 C ATOM 1242 O ARG A 78 10.061 15.962 5.369 1.00 0.00 O ATOM 1243 CB ARG A 78 9.194 14.520 8.472 1.00 0.00 C ATOM 1244 CG ARG A 78 8.667 15.307 9.679 1.00 0.00 C ATOM 1245 CD ARG A 78 7.937 14.353 10.629 1.00 0.00 C ATOM 1246 NE ARG A 78 8.932 13.623 11.465 1.00 0.00 N ATOM 1247 CZ ARG A 78 8.547 12.992 12.539 1.00 0.00 C ATOM 1248 NH1 ARG A 78 7.313 12.579 12.648 1.00 0.00 N ATOM 1249 NH2 ARG A 78 9.396 12.769 13.505 1.00 0.00 N ATOM 0 H ARG A 78 9.039 17.117 7.667 1.00 0.00 H new ATOM 0 HA ARG A 78 11.218 15.091 7.983 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.363 14.238 7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.662 13.596 8.811 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.493 15.794 10.198 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.991 16.095 9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.252 14.912 11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.336 13.645 10.059 1.00 0.00 H new ATOM 0 HE ARG A 78 9.916 13.617 11.196 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.649 12.750 11.893 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.013 12.085 13.489 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.361 13.088 13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.095 12.275 14.345 1.00 0.00 H new ATOM 1263 N HIS A 79 9.834 13.829 5.849 1.00 0.00 N ATOM 1264 CA HIS A 79 9.667 13.455 4.415 1.00 0.00 C ATOM 1265 C HIS A 79 9.034 12.063 4.336 1.00 0.00 C ATOM 1266 O HIS A 79 9.656 11.071 4.661 1.00 0.00 O ATOM 1267 CB HIS A 79 11.045 13.420 3.756 1.00 0.00 C ATOM 1268 CG HIS A 79 12.032 12.965 4.789 1.00 0.00 C ATOM 1269 ND1 HIS A 79 13.353 13.365 4.797 1.00 0.00 N ATOM 1270 CD2 HIS A 79 11.871 12.164 5.887 1.00 0.00 C ATOM 1271 CE1 HIS A 79 13.931 12.806 5.877 1.00 0.00 C ATOM 1272 NE2 HIS A 79 13.072 12.062 6.574 1.00 0.00 N ATOM 0 H HIS A 79 9.791 13.048 6.504 1.00 0.00 H new ATOM 0 HA HIS A 79 9.029 14.178 3.907 1.00 0.00 H new ATOM 0 HB2 HIS A 79 11.044 12.742 2.903 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.314 14.407 3.378 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.948 11.684 6.175 1.00 0.00 H new ATOM 0 HE1 HIS A 79 14.968 12.944 6.147 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.257 11.533 7.426 1.00 0.00 H new ATOM 1280 N ILE A 80 7.802 11.977 3.919 1.00 0.00 N ATOM 1281 CA ILE A 80 7.141 10.644 3.837 1.00 0.00 C ATOM 1282 C ILE A 80 7.176 10.130 2.399 1.00 0.00 C ATOM 1283 O ILE A 80 6.723 10.783 1.482 1.00 0.00 O ATOM 1284 CB ILE A 80 5.690 10.769 4.303 1.00 0.00 C ATOM 1285 CG1 ILE A 80 5.662 11.334 5.725 1.00 0.00 C ATOM 1286 CG2 ILE A 80 5.029 9.389 4.293 1.00 0.00 C ATOM 1287 CD1 ILE A 80 6.655 10.565 6.600 1.00 0.00 C ATOM 0 H ILE A 80 7.226 12.768 3.632 1.00 0.00 H new ATOM 0 HA ILE A 80 7.672 9.940 4.477 1.00 0.00 H new ATOM 0 HB ILE A 80 5.149 11.436 3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.917 12.394 5.712 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.657 11.254 6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.995 9.479 4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.051 8.982 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.569 8.722 4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.635 10.967 7.613 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.379 9.511 6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.659 10.668 6.188 1.00 0.00 H new ATOM 1299 N THR A 81 7.706 8.955 2.200 1.00 0.00 N ATOM 1300 CA THR A 81 7.769 8.381 0.828 1.00 0.00 C ATOM 1301 C THR A 81 7.215 6.955 0.865 1.00 0.00 C ATOM 1302 O THR A 81 7.756 6.089 1.523 1.00 0.00 O ATOM 1303 CB THR A 81 9.225 8.354 0.353 1.00 0.00 C ATOM 1304 OG1 THR A 81 9.763 9.667 0.413 1.00 0.00 O ATOM 1305 CG2 THR A 81 9.290 7.839 -1.086 1.00 0.00 C ATOM 0 H THR A 81 8.100 8.365 2.933 1.00 0.00 H new ATOM 0 HA THR A 81 7.180 8.989 0.142 1.00 0.00 H new ATOM 0 HB THR A 81 9.804 7.692 0.997 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.695 9.653 0.111 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.328 7.822 -1.420 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.877 6.831 -1.131 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.711 8.497 -1.734 1.00 0.00 H new ATOM 1313 N LEU A 82 6.134 6.703 0.179 1.00 0.00 N ATOM 1314 CA LEU A 82 5.549 5.333 0.202 1.00 0.00 C ATOM 1315 C LEU A 82 5.782 4.636 -1.139 1.00 0.00 C ATOM 1316 O LEU A 82 5.911 5.268 -2.169 1.00 0.00 O ATOM 1317 CB LEU A 82 4.046 5.432 0.465 1.00 0.00 C ATOM 1318 CG LEU A 82 3.726 4.815 1.827 1.00 0.00 C ATOM 1319 CD1 LEU A 82 3.904 3.296 1.759 1.00 0.00 C ATOM 1320 CD2 LEU A 82 4.676 5.394 2.878 1.00 0.00 C ATOM 0 H LEU A 82 5.633 7.382 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 82 6.029 4.754 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.730 6.475 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.494 4.915 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 82 2.695 5.044 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.675 2.859 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.230 2.884 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.934 3.062 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.452 4.957 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.706 5.163 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.548 6.475 2.928 1.00 0.00 H new ATOM 1332 N TRP A 83 5.828 3.331 -1.130 1.00 0.00 N ATOM 1333 CA TRP A 83 6.042 2.576 -2.395 1.00 0.00 C ATOM 1334 C TRP A 83 4.752 1.840 -2.755 1.00 0.00 C ATOM 1335 O TRP A 83 4.286 0.991 -2.021 1.00 0.00 O ATOM 1336 CB TRP A 83 7.162 1.554 -2.203 1.00 0.00 C ATOM 1337 CG TRP A 83 8.258 2.155 -1.388 1.00 0.00 C ATOM 1338 CD1 TRP A 83 8.165 2.481 -0.080 1.00 0.00 C ATOM 1339 CD2 TRP A 83 9.610 2.502 -1.802 1.00 0.00 C ATOM 1340 NE1 TRP A 83 9.374 3.009 0.337 1.00 0.00 N ATOM 1341 CE2 TRP A 83 10.297 3.042 -0.690 1.00 0.00 C ATOM 1342 CE3 TRP A 83 10.300 2.401 -3.023 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 11.623 3.466 -0.786 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 11.634 2.829 -3.122 1.00 0.00 C ATOM 1345 CH2 TRP A 83 12.293 3.360 -2.005 1.00 0.00 C ATOM 0 H TRP A 83 5.726 2.754 -0.295 1.00 0.00 H new ATOM 0 HA TRP A 83 6.316 3.268 -3.191 1.00 0.00 H new ATOM 0 HB2 TRP A 83 6.774 0.664 -1.708 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.548 1.237 -3.172 1.00 0.00 H new ATOM 0 HD1 TRP A 83 7.290 2.351 0.539 1.00 0.00 H new ATOM 0 HE1 TRP A 83 9.561 3.334 1.286 1.00 0.00 H new ATOM 0 HE3 TRP A 83 9.801 1.992 -3.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 12.127 3.874 0.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.155 2.748 -4.065 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.319 3.687 -2.088 1.00 0.00 H new ATOM 1356 N PHE A 84 4.170 2.153 -3.876 1.00 0.00 N ATOM 1357 CA PHE A 84 2.912 1.464 -4.271 1.00 0.00 C ATOM 1358 C PHE A 84 3.232 0.368 -5.286 1.00 0.00 C ATOM 1359 O PHE A 84 2.895 0.488 -6.447 1.00 0.00 O ATOM 1360 CB PHE A 84 1.967 2.467 -4.936 1.00 0.00 C ATOM 1361 CG PHE A 84 1.183 3.230 -3.894 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.833 3.793 -2.790 1.00 0.00 C ATOM 1363 CD2 PHE A 84 -0.200 3.388 -4.048 1.00 0.00 C ATOM 1364 CE1 PHE A 84 1.099 4.517 -1.841 1.00 0.00 C ATOM 1365 CE2 PHE A 84 -0.933 4.107 -3.099 1.00 0.00 C ATOM 1366 CZ PHE A 84 -0.285 4.673 -1.996 1.00 0.00 C ATOM 0 H PHE A 84 4.509 2.854 -4.535 1.00 0.00 H new ATOM 0 HA PHE A 84 2.446 1.037 -3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.539 3.163 -5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.282 1.943 -5.603 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.899 3.670 -2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.701 2.954 -4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.600 4.955 -0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.000 4.225 -3.218 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.851 5.230 -1.264 1.00 0.00 H new ATOM 1376 N TRP A 85 3.865 -0.703 -4.885 1.00 0.00 N ATOM 1377 CA TRP A 85 4.161 -1.759 -5.888 1.00 0.00 C ATOM 1378 C TRP A 85 2.909 -2.601 -6.102 1.00 0.00 C ATOM 1379 O TRP A 85 2.724 -3.641 -5.499 1.00 0.00 O ATOM 1380 CB TRP A 85 5.346 -2.628 -5.439 1.00 0.00 C ATOM 1381 CG TRP A 85 5.038 -3.347 -4.165 1.00 0.00 C ATOM 1382 CD1 TRP A 85 5.105 -2.803 -2.928 1.00 0.00 C ATOM 1383 CD2 TRP A 85 4.643 -4.739 -3.979 1.00 0.00 C ATOM 1384 NE1 TRP A 85 4.777 -3.771 -1.995 1.00 0.00 N ATOM 1385 CE2 TRP A 85 4.479 -4.979 -2.595 1.00 0.00 C ATOM 1386 CE3 TRP A 85 4.409 -5.805 -4.868 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 4.099 -6.231 -2.109 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 4.026 -7.065 -4.382 1.00 0.00 C ATOM 1389 CH2 TRP A 85 3.872 -7.277 -3.005 1.00 0.00 C ATOM 0 H TRP A 85 4.181 -0.887 -3.933 1.00 0.00 H new ATOM 0 HA TRP A 85 4.446 -1.294 -6.832 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.586 -3.351 -6.219 1.00 0.00 H new ATOM 0 HB3 TRP A 85 6.228 -2.002 -5.302 1.00 0.00 H new ATOM 0 HD1 TRP A 85 5.371 -1.780 -2.705 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.758 -3.612 -0.988 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.525 -5.652 -5.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 3.981 -6.389 -1.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.849 -7.876 -5.073 1.00 0.00 H new ATOM 0 HH2 TRP A 85 3.578 -8.249 -2.638 1.00 0.00 H new ATOM 1400 N LEU A 86 2.040 -2.135 -6.959 1.00 0.00 N ATOM 1401 CA LEU A 86 0.776 -2.867 -7.238 1.00 0.00 C ATOM 1402 C LEU A 86 1.087 -4.216 -7.874 1.00 0.00 C ATOM 1403 O LEU A 86 1.695 -4.291 -8.924 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.080 -2.046 -8.207 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.495 -1.910 -7.650 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.454 -1.080 -6.371 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.389 -1.213 -8.680 1.00 0.00 C ATOM 0 H LEU A 86 2.156 -1.267 -7.483 1.00 0.00 H new ATOM 0 HA LEU A 86 0.239 -3.022 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.361 -1.060 -8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.107 -2.530 -9.183 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.897 -2.900 -7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.462 -0.980 -5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.818 -1.575 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.052 -0.091 -6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.398 -1.117 -8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.989 -0.223 -8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.416 -1.803 -9.596 1.00 0.00 H new ATOM 1419 N VAL A 87 0.662 -5.283 -7.263 1.00 0.00 N ATOM 1420 CA VAL A 87 0.929 -6.622 -7.869 1.00 0.00 C ATOM 1421 C VAL A 87 -0.353 -7.133 -8.533 1.00 0.00 C ATOM 1422 O VAL A 87 -1.436 -6.649 -8.268 1.00 0.00 O ATOM 1423 CB VAL A 87 1.435 -7.601 -6.795 1.00 0.00 C ATOM 1424 CG1 VAL A 87 0.916 -7.197 -5.424 1.00 0.00 C ATOM 1425 CG2 VAL A 87 0.986 -9.035 -7.107 1.00 0.00 C ATOM 0 H VAL A 87 0.148 -5.292 -6.382 1.00 0.00 H new ATOM 0 HA VAL A 87 1.707 -6.539 -8.628 1.00 0.00 H new ATOM 0 HB VAL A 87 2.524 -7.564 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.282 -7.899 -4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.267 -6.194 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.174 -7.209 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.356 -9.708 -6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.103 -9.077 -7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.386 -9.339 -8.074 1.00 0.00 H new ATOM 1435 N GLU A 88 -0.236 -8.089 -9.416 1.00 0.00 N ATOM 1436 CA GLU A 88 -1.447 -8.603 -10.113 1.00 0.00 C ATOM 1437 C GLU A 88 -1.661 -10.088 -9.806 1.00 0.00 C ATOM 1438 O GLU A 88 -2.762 -10.590 -9.905 1.00 0.00 O ATOM 1439 CB GLU A 88 -1.274 -8.419 -11.624 1.00 0.00 C ATOM 1440 CG GLU A 88 -0.002 -9.133 -12.085 1.00 0.00 C ATOM 1441 CD GLU A 88 1.077 -8.097 -12.411 1.00 0.00 C ATOM 1442 OE1 GLU A 88 1.120 -7.083 -11.736 1.00 0.00 O ATOM 1443 OE2 GLU A 88 1.843 -8.338 -13.330 1.00 0.00 O ATOM 0 H GLU A 88 0.642 -8.533 -9.683 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.316 -8.046 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.140 -8.820 -12.151 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.216 -7.358 -11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.351 -9.808 -11.306 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.213 -9.743 -12.964 1.00 0.00 H new ATOM 1450 N ARG A 89 -0.629 -10.804 -9.446 1.00 0.00 N ATOM 1451 CA ARG A 89 -0.815 -12.254 -9.158 1.00 0.00 C ATOM 1452 C ARG A 89 0.140 -12.709 -8.054 1.00 0.00 C ATOM 1453 O ARG A 89 1.206 -12.158 -7.868 1.00 0.00 O ATOM 1454 CB ARG A 89 -0.536 -13.059 -10.430 1.00 0.00 C ATOM 1455 CG ARG A 89 -1.808 -13.129 -11.278 1.00 0.00 C ATOM 1456 CD ARG A 89 -1.503 -12.639 -12.695 1.00 0.00 C ATOM 1457 NE ARG A 89 -2.778 -12.457 -13.449 1.00 0.00 N ATOM 1458 CZ ARG A 89 -3.770 -13.286 -13.271 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -3.690 -14.510 -13.717 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -4.845 -12.890 -12.646 1.00 0.00 N ATOM 0 H ARG A 89 0.323 -10.453 -9.340 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.840 -12.419 -8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.268 -12.593 -10.999 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.203 -14.064 -10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.182 -14.152 -11.308 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.591 -12.517 -10.830 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.955 -11.697 -12.655 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.864 -13.357 -13.209 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.874 -11.682 -14.105 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.851 -14.821 -14.206 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.467 -15.156 -13.576 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.909 -11.934 -12.297 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.621 -13.537 -12.506 1.00 0.00 H new ATOM 1474 N TRP A 90 -0.240 -13.727 -7.330 1.00 0.00 N ATOM 1475 CA TRP A 90 0.636 -14.253 -6.245 1.00 0.00 C ATOM 1476 C TRP A 90 0.093 -15.585 -5.761 1.00 0.00 C ATOM 1477 O TRP A 90 -0.832 -16.141 -6.319 1.00 0.00 O ATOM 1478 CB TRP A 90 0.672 -13.294 -5.057 1.00 0.00 C ATOM 1479 CG TRP A 90 -0.681 -13.225 -4.420 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -1.038 -13.890 -3.296 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -1.858 -12.469 -4.838 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -2.355 -13.591 -2.998 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -2.904 -12.723 -3.917 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -2.124 -11.597 -5.914 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -4.161 -12.137 -4.054 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -3.394 -11.006 -6.051 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -4.407 -11.276 -5.124 1.00 0.00 C ATOM 0 H TRP A 90 -1.126 -14.220 -7.445 1.00 0.00 H new ATOM 0 HA TRP A 90 1.643 -14.366 -6.648 1.00 0.00 H new ATOM 0 HB2 TRP A 90 1.410 -13.630 -4.329 1.00 0.00 H new ATOM 0 HB3 TRP A 90 0.979 -12.302 -5.388 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -0.399 -14.547 -2.725 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -2.859 -13.967 -2.195 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -1.350 -11.382 -6.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -4.940 -12.348 -3.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -3.588 -10.339 -6.878 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.379 -10.818 -5.237 1.00 0.00 H new ATOM 1498 N GLU A 91 0.676 -16.103 -4.726 1.00 0.00 N ATOM 1499 CA GLU A 91 0.221 -17.402 -4.194 1.00 0.00 C ATOM 1500 C GLU A 91 0.162 -17.360 -2.664 1.00 0.00 C ATOM 1501 O GLU A 91 1.173 -17.260 -2.000 1.00 0.00 O ATOM 1502 CB GLU A 91 1.218 -18.458 -4.622 1.00 0.00 C ATOM 1503 CG GLU A 91 0.493 -19.785 -4.762 1.00 0.00 C ATOM 1504 CD GLU A 91 1.509 -20.919 -4.906 1.00 0.00 C ATOM 1505 OE1 GLU A 91 2.152 -21.241 -3.921 1.00 0.00 O ATOM 1506 OE2 GLU A 91 1.625 -21.448 -5.999 1.00 0.00 O ATOM 0 H GLU A 91 1.454 -15.677 -4.223 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.775 -17.628 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 91 1.681 -18.179 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.019 -18.541 -3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.138 -19.959 -3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.164 -19.761 -5.631 1.00 0.00 H new ATOM 1513 N GLY A 92 -1.012 -17.451 -2.098 1.00 0.00 N ATOM 1514 CA GLY A 92 -1.125 -17.429 -0.610 1.00 0.00 C ATOM 1515 C GLY A 92 -1.694 -16.087 -0.149 1.00 0.00 C ATOM 1516 O GLY A 92 -1.805 -15.153 -0.915 1.00 0.00 O ATOM 0 H GLY A 92 -1.896 -17.539 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.769 -18.241 -0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.146 -17.592 -0.160 1.00 0.00 H new ATOM 1520 N GLU A 93 -2.052 -15.984 1.103 1.00 0.00 N ATOM 1521 CA GLU A 93 -2.612 -14.703 1.622 1.00 0.00 C ATOM 1522 C GLU A 93 -1.458 -13.726 1.887 1.00 0.00 C ATOM 1523 O GLU A 93 -0.633 -13.989 2.723 1.00 0.00 O ATOM 1524 CB GLU A 93 -3.354 -14.972 2.934 1.00 0.00 C ATOM 1525 CG GLU A 93 -4.801 -14.492 2.811 1.00 0.00 C ATOM 1526 CD GLU A 93 -5.276 -13.950 4.161 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -4.432 -13.684 5.002 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -6.477 -13.810 4.332 1.00 0.00 O ATOM 0 H GLU A 93 -1.980 -16.734 1.790 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.300 -14.277 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.332 -16.037 3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.858 -14.457 3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.874 -13.716 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.442 -15.314 2.491 1.00 0.00 H new ATOM 1535 N PRO A 94 -1.423 -12.644 1.148 1.00 0.00 N ATOM 1536 CA PRO A 94 -0.359 -11.619 1.279 1.00 0.00 C ATOM 1537 C PRO A 94 -0.515 -10.764 2.551 1.00 0.00 C ATOM 1538 O PRO A 94 -1.469 -10.890 3.294 1.00 0.00 O ATOM 1539 CB PRO A 94 -0.550 -10.720 0.054 1.00 0.00 C ATOM 1540 CG PRO A 94 -1.866 -11.148 -0.646 1.00 0.00 C ATOM 1541 CD PRO A 94 -2.421 -12.365 0.104 1.00 0.00 C ATOM 0 HA PRO A 94 0.623 -12.088 1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.599 -9.673 0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.295 -10.818 -0.628 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.588 -10.331 -0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.680 -11.395 -1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.398 -12.152 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.547 -13.218 -0.563 1.00 0.00 H new ATOM 1549 N TRP A 95 0.423 -9.871 2.773 1.00 0.00 N ATOM 1550 CA TRP A 95 0.370 -8.961 3.950 1.00 0.00 C ATOM 1551 C TRP A 95 0.213 -7.529 3.448 1.00 0.00 C ATOM 1552 O TRP A 95 -0.134 -7.293 2.308 1.00 0.00 O ATOM 1553 CB TRP A 95 1.675 -9.056 4.755 1.00 0.00 C ATOM 1554 CG TRP A 95 2.872 -9.115 3.845 1.00 0.00 C ATOM 1555 CD1 TRP A 95 3.686 -10.177 3.755 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.427 -8.108 2.934 1.00 0.00 C ATOM 1557 NE1 TRP A 95 4.682 -9.925 2.848 1.00 0.00 N ATOM 1558 CE2 TRP A 95 4.578 -8.656 2.314 1.00 0.00 C ATOM 1559 CE3 TRP A 95 3.055 -6.798 2.582 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 5.329 -7.927 1.386 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 3.810 -6.066 1.647 1.00 0.00 C ATOM 1562 CH2 TRP A 95 4.943 -6.630 1.055 1.00 0.00 C ATOM 0 H TRP A 95 1.236 -9.737 2.172 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.467 -9.245 4.588 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.760 -8.195 5.417 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.652 -9.943 5.388 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.573 -11.094 4.314 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.411 -10.593 2.598 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.182 -6.350 3.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.203 -8.367 0.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.512 -5.062 1.385 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.519 -6.061 0.341 1.00 0.00 H new ATOM 1573 N GLY A 96 0.484 -6.571 4.284 1.00 0.00 N ATOM 1574 CA GLY A 96 0.371 -5.155 3.855 1.00 0.00 C ATOM 1575 C GLY A 96 0.736 -4.254 5.032 1.00 0.00 C ATOM 1576 O GLY A 96 1.304 -3.192 4.873 1.00 0.00 O ATOM 0 H GLY A 96 0.780 -6.709 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.034 -4.962 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.643 -4.943 3.517 1.00 0.00 H new ATOM 1580 N LYS A 97 0.431 -4.696 6.213 1.00 0.00 N ATOM 1581 CA LYS A 97 0.764 -3.912 7.432 1.00 0.00 C ATOM 1582 C LYS A 97 1.495 -4.827 8.420 1.00 0.00 C ATOM 1583 O LYS A 97 1.962 -5.889 8.059 1.00 0.00 O ATOM 1584 CB LYS A 97 -0.524 -3.398 8.073 1.00 0.00 C ATOM 1585 CG LYS A 97 -0.464 -1.877 8.180 1.00 0.00 C ATOM 1586 CD LYS A 97 -0.073 -1.484 9.606 1.00 0.00 C ATOM 1587 CE LYS A 97 -0.280 0.020 9.794 1.00 0.00 C ATOM 1588 NZ LYS A 97 0.713 0.766 8.970 1.00 0.00 N ATOM 0 H LYS A 97 -0.043 -5.582 6.391 1.00 0.00 H new ATOM 0 HA LYS A 97 1.398 -3.065 7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.385 -3.698 7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.652 -3.839 9.062 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.261 -1.480 7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.431 -1.445 7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.676 -2.038 10.326 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.968 -1.745 9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.293 0.298 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.168 0.285 10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.962 1.656 9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.568 0.187 8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.302 0.977 8.038 1.00 0.00 H new ATOM 1602 N GLU A 98 1.593 -4.438 9.662 1.00 0.00 N ATOM 1603 CA GLU A 98 2.286 -5.309 10.652 1.00 0.00 C ATOM 1604 C GLU A 98 1.628 -6.688 10.631 1.00 0.00 C ATOM 1605 O GLU A 98 2.288 -7.707 10.585 1.00 0.00 O ATOM 1606 CB GLU A 98 2.164 -4.699 12.050 1.00 0.00 C ATOM 1607 CG GLU A 98 0.687 -4.487 12.390 1.00 0.00 C ATOM 1608 CD GLU A 98 0.572 -3.626 13.650 1.00 0.00 C ATOM 1609 OE1 GLU A 98 1.019 -2.492 13.610 1.00 0.00 O ATOM 1610 OE2 GLU A 98 0.040 -4.116 14.632 1.00 0.00 O ATOM 0 H GLU A 98 1.226 -3.561 10.032 1.00 0.00 H new ATOM 0 HA GLU A 98 3.342 -5.397 10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.626 -5.356 12.786 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.697 -3.749 12.091 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.177 -4.002 11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.197 -5.448 12.547 1.00 0.00 H new ATOM 1617 N GLY A 99 0.325 -6.721 10.648 1.00 0.00 N ATOM 1618 CA GLY A 99 -0.397 -8.024 10.611 1.00 0.00 C ATOM 1619 C GLY A 99 -1.373 -8.005 9.435 1.00 0.00 C ATOM 1620 O GLY A 99 -1.010 -7.667 8.326 1.00 0.00 O ATOM 0 H GLY A 99 -0.275 -5.897 10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.311 -8.846 10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.934 -8.186 11.546 1.00 0.00 H new ATOM 1624 N GLN A 100 -2.612 -8.346 9.662 1.00 0.00 N ATOM 1625 CA GLN A 100 -3.595 -8.322 8.545 1.00 0.00 C ATOM 1626 C GLN A 100 -4.815 -7.453 8.903 1.00 0.00 C ATOM 1627 O GLN A 100 -5.932 -7.836 8.616 1.00 0.00 O ATOM 1628 CB GLN A 100 -4.063 -9.751 8.262 1.00 0.00 C ATOM 1629 CG GLN A 100 -3.799 -10.091 6.796 1.00 0.00 C ATOM 1630 CD GLN A 100 -5.134 -10.288 6.072 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -6.152 -9.789 6.507 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -5.173 -10.999 4.979 1.00 0.00 N ATOM 0 H GLN A 100 -2.983 -8.638 10.566 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.113 -7.897 7.665 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.537 -10.453 8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.126 -9.848 8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.230 -9.291 6.322 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.196 -10.996 6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.318 -11.419 4.613 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.058 -11.135 4.491 1.00 0.00 H new ATOM 1641 N PRO A 101 -4.585 -6.302 9.505 1.00 0.00 N ATOM 1642 CA PRO A 101 -5.687 -5.392 9.875 1.00 0.00 C ATOM 1643 C PRO A 101 -6.343 -4.825 8.615 1.00 0.00 C ATOM 1644 O PRO A 101 -7.402 -4.231 8.664 1.00 0.00 O ATOM 1645 CB PRO A 101 -5.017 -4.262 10.666 1.00 0.00 C ATOM 1646 CG PRO A 101 -3.485 -4.451 10.537 1.00 0.00 C ATOM 1647 CD PRO A 101 -3.239 -5.813 9.869 1.00 0.00 C ATOM 0 HA PRO A 101 -6.463 -5.897 10.450 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.318 -3.290 10.276 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.321 -4.294 11.712 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.049 -3.648 9.942 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.011 -4.414 11.518 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.603 -5.713 8.990 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.738 -6.502 10.548 1.00 0.00 H new ATOM 1655 N GLY A 102 -5.708 -4.997 7.493 1.00 0.00 N ATOM 1656 CA GLY A 102 -6.268 -4.460 6.221 1.00 0.00 C ATOM 1657 C GLY A 102 -7.625 -5.097 5.938 1.00 0.00 C ATOM 1658 O GLY A 102 -8.106 -5.912 6.699 1.00 0.00 O ATOM 0 H GLY A 102 -4.820 -5.489 7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.372 -3.377 6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.583 -4.663 5.398 1.00 0.00 H new ATOM 1662 N GLU A 103 -8.258 -4.730 4.853 1.00 0.00 N ATOM 1663 CA GLU A 103 -9.593 -5.331 4.560 1.00 0.00 C ATOM 1664 C GLU A 103 -9.743 -5.584 3.060 1.00 0.00 C ATOM 1665 O GLU A 103 -9.040 -5.019 2.246 1.00 0.00 O ATOM 1666 CB GLU A 103 -10.697 -4.382 5.037 1.00 0.00 C ATOM 1667 CG GLU A 103 -10.703 -3.116 4.178 1.00 0.00 C ATOM 1668 CD GLU A 103 -12.115 -2.530 4.147 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -12.785 -2.594 5.166 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -12.505 -2.027 3.106 1.00 0.00 O ATOM 0 H GLU A 103 -7.917 -4.054 4.170 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.677 -6.282 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.666 -4.878 4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.537 -4.121 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.003 -2.385 4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.371 -3.348 3.166 1.00 0.00 H new ATOM 1677 N TRP A 104 -10.662 -6.434 2.691 1.00 0.00 N ATOM 1678 CA TRP A 104 -10.872 -6.732 1.248 1.00 0.00 C ATOM 1679 C TRP A 104 -11.886 -5.746 0.663 1.00 0.00 C ATOM 1680 O TRP A 104 -13.076 -5.864 0.877 1.00 0.00 O ATOM 1681 CB TRP A 104 -11.405 -8.157 1.097 1.00 0.00 C ATOM 1682 CG TRP A 104 -10.263 -9.121 1.112 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -9.215 -9.069 1.965 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -10.038 -10.275 0.253 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -8.360 -10.121 1.686 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -8.824 -10.893 0.638 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -10.761 -10.842 -0.810 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -8.345 -12.033 -0.010 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -10.283 -11.988 -1.465 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -9.077 -12.582 -1.065 1.00 0.00 C ATOM 0 H TRP A 104 -11.278 -6.936 3.330 1.00 0.00 H new ATOM 0 HA TRP A 104 -9.925 -6.637 0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.098 -8.385 1.907 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -11.962 -8.251 0.165 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -9.069 -8.328 2.737 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -7.493 -10.304 2.192 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -11.691 -10.393 -1.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.416 -12.487 0.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -10.847 -12.415 -2.281 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -8.715 -13.464 -1.573 1.00 0.00 H new ATOM 1701 N MET A 105 -11.423 -4.775 -0.075 1.00 0.00 N ATOM 1702 CA MET A 105 -12.353 -3.783 -0.675 1.00 0.00 C ATOM 1703 C MET A 105 -12.851 -4.301 -2.025 1.00 0.00 C ATOM 1704 O MET A 105 -12.075 -4.700 -2.871 1.00 0.00 O ATOM 1705 CB MET A 105 -11.613 -2.461 -0.880 1.00 0.00 C ATOM 1706 CG MET A 105 -12.447 -1.542 -1.774 1.00 0.00 C ATOM 1707 SD MET A 105 -11.487 -0.066 -2.180 1.00 0.00 S ATOM 1708 CE MET A 105 -10.810 0.214 -0.527 1.00 0.00 C ATOM 0 H MET A 105 -10.436 -4.627 -0.288 1.00 0.00 H new ATOM 0 HA MET A 105 -13.203 -3.630 -0.010 1.00 0.00 H new ATOM 0 HB2 MET A 105 -11.430 -1.982 0.082 1.00 0.00 H new ATOM 0 HB3 MET A 105 -10.640 -2.644 -1.336 1.00 0.00 H new ATOM 0 HG2 MET A 105 -12.733 -2.066 -2.686 1.00 0.00 H new ATOM 0 HG3 MET A 105 -13.369 -1.261 -1.266 1.00 0.00 H new ATOM 0 HE1 MET A 105 -10.429 1.233 -0.458 1.00 0.00 H new ATOM 0 HE2 MET A 105 -11.594 0.068 0.217 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.999 -0.490 -0.342 1.00 0.00 H new ATOM 1718 N SER A 106 -14.137 -4.294 -2.235 1.00 0.00 N ATOM 1719 CA SER A 106 -14.684 -4.781 -3.527 1.00 0.00 C ATOM 1720 C SER A 106 -14.845 -3.602 -4.489 1.00 0.00 C ATOM 1721 O SER A 106 -15.943 -3.161 -4.769 1.00 0.00 O ATOM 1722 CB SER A 106 -16.044 -5.427 -3.280 1.00 0.00 C ATOM 1723 OG SER A 106 -16.469 -5.135 -1.955 1.00 0.00 O ATOM 0 H SER A 106 -14.834 -3.970 -1.564 1.00 0.00 H new ATOM 0 HA SER A 106 -14.004 -5.512 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 106 -16.773 -5.053 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.979 -6.505 -3.424 1.00 0.00 H new ATOM 0 HG SER A 106 -17.343 -5.547 -1.794 1.00 0.00 H new ATOM 1729 N LEU A 107 -13.761 -3.087 -5.000 1.00 0.00 N ATOM 1730 CA LEU A 107 -13.857 -1.938 -5.945 1.00 0.00 C ATOM 1731 C LEU A 107 -14.752 -0.850 -5.341 1.00 0.00 C ATOM 1732 O LEU A 107 -15.672 -0.370 -5.973 1.00 0.00 O ATOM 1733 CB LEU A 107 -14.462 -2.419 -7.266 1.00 0.00 C ATOM 1734 CG LEU A 107 -13.813 -1.671 -8.430 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -12.341 -2.075 -8.538 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -14.540 -2.027 -9.731 1.00 0.00 C ATOM 0 H LEU A 107 -12.814 -3.411 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.862 -1.530 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -14.308 -3.492 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.539 -2.250 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 107 -13.881 -0.597 -8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.877 -1.542 -9.368 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.825 -1.823 -7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -12.270 -3.149 -8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -14.079 -1.495 -10.563 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -14.471 -3.101 -9.904 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -15.588 -1.739 -9.652 1.00 0.00 H new ATOM 1748 N VAL A 108 -14.488 -0.457 -4.125 1.00 0.00 N ATOM 1749 CA VAL A 108 -15.321 0.599 -3.485 1.00 0.00 C ATOM 1750 C VAL A 108 -14.420 1.554 -2.702 1.00 0.00 C ATOM 1751 O VAL A 108 -13.992 1.257 -1.604 1.00 0.00 O ATOM 1752 CB VAL A 108 -16.318 -0.049 -2.525 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -17.277 1.014 -1.984 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -17.116 -1.123 -3.265 1.00 0.00 C ATOM 0 H VAL A 108 -13.731 -0.822 -3.547 1.00 0.00 H new ATOM 0 HA VAL A 108 -15.859 1.150 -4.256 1.00 0.00 H new ATOM 0 HB VAL A 108 -15.776 -0.504 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -17.987 0.549 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -16.710 1.780 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -17.818 1.471 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -17.827 -1.585 -2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.656 -0.668 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -16.435 -1.883 -3.648 1.00 0.00 H new ATOM 1764 N GLY A 109 -14.132 2.700 -3.253 1.00 0.00 N ATOM 1765 CA GLY A 109 -13.261 3.670 -2.534 1.00 0.00 C ATOM 1766 C GLY A 109 -11.807 3.464 -2.959 1.00 0.00 C ATOM 1767 O GLY A 109 -10.887 3.912 -2.304 1.00 0.00 O ATOM 0 H GLY A 109 -14.462 3.006 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -13.575 4.690 -2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.359 3.534 -1.457 1.00 0.00 H new ATOM 1771 N LEU A 110 -11.593 2.791 -4.058 1.00 0.00 N ATOM 1772 CA LEU A 110 -10.229 2.548 -4.545 1.00 0.00 C ATOM 1773 C LEU A 110 -9.569 3.890 -4.867 1.00 0.00 C ATOM 1774 O LEU A 110 -8.364 4.000 -4.983 1.00 0.00 O ATOM 1775 CB LEU A 110 -10.383 1.666 -5.788 1.00 0.00 C ATOM 1776 CG LEU A 110 -9.679 2.278 -6.995 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -8.164 2.204 -6.804 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -10.074 1.516 -8.261 1.00 0.00 C ATOM 0 H LEU A 110 -12.330 2.396 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.594 2.052 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.971 0.677 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -11.441 1.531 -6.012 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.978 3.322 -7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.666 2.642 -7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.883 2.754 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.861 1.162 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.570 1.955 -9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.781 0.471 -8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -11.153 1.579 -8.402 1.00 0.00 H new ATOM 1790 N ASN A 111 -10.364 4.903 -5.018 1.00 0.00 N ATOM 1791 CA ASN A 111 -9.825 6.243 -5.341 1.00 0.00 C ATOM 1792 C ASN A 111 -9.261 6.885 -4.072 1.00 0.00 C ATOM 1793 O ASN A 111 -9.321 6.317 -3.000 1.00 0.00 O ATOM 1794 CB ASN A 111 -10.968 7.096 -5.881 1.00 0.00 C ATOM 1795 CG ASN A 111 -11.170 6.812 -7.369 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -10.757 5.783 -7.865 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -11.801 7.684 -8.106 1.00 0.00 N ATOM 0 H ASN A 111 -11.379 4.858 -4.930 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.029 6.164 -6.082 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -11.885 6.880 -5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.748 8.153 -5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.948 7.502 -9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -12.148 8.548 -7.689 1.00 0.00 H new ATOM 1804 N ALA A 112 -8.712 8.064 -4.184 1.00 0.00 N ATOM 1805 CA ALA A 112 -8.144 8.737 -2.981 1.00 0.00 C ATOM 1806 C ALA A 112 -9.277 9.109 -2.019 1.00 0.00 C ATOM 1807 O ALA A 112 -9.045 9.566 -0.918 1.00 0.00 O ATOM 1808 CB ALA A 112 -7.410 10.012 -3.404 1.00 0.00 C ATOM 0 H ALA A 112 -8.632 8.589 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.448 8.059 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.996 10.502 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.603 9.756 -4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.108 10.686 -3.900 1.00 0.00 H new ATOM 1814 N ASP A 113 -10.502 8.926 -2.432 1.00 0.00 N ATOM 1815 CA ASP A 113 -11.652 9.278 -1.556 1.00 0.00 C ATOM 1816 C ASP A 113 -11.626 8.427 -0.288 1.00 0.00 C ATOM 1817 O ASP A 113 -11.667 8.937 0.814 1.00 0.00 O ATOM 1818 CB ASP A 113 -12.950 9.017 -2.311 1.00 0.00 C ATOM 1819 CG ASP A 113 -14.066 9.880 -1.724 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -14.622 9.486 -0.712 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -14.346 10.921 -2.295 1.00 0.00 O ATOM 0 H ASP A 113 -10.755 8.546 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.585 10.330 -1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.819 9.244 -3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.217 7.963 -2.242 1.00 0.00 H new ATOM 1826 N ASP A 114 -11.555 7.132 -0.429 1.00 0.00 N ATOM 1827 CA ASP A 114 -11.527 6.261 0.774 1.00 0.00 C ATOM 1828 C ASP A 114 -10.117 6.264 1.350 1.00 0.00 C ATOM 1829 O ASP A 114 -9.887 5.833 2.462 1.00 0.00 O ATOM 1830 CB ASP A 114 -11.922 4.836 0.390 1.00 0.00 C ATOM 1831 CG ASP A 114 -12.778 4.227 1.501 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -13.978 4.448 1.485 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -12.220 3.550 2.350 1.00 0.00 O ATOM 0 H ASP A 114 -11.515 6.643 -1.323 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.232 6.635 1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -12.476 4.841 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -11.030 4.230 0.230 1.00 0.00 H new ATOM 1838 N PHE A 115 -9.170 6.765 0.607 1.00 0.00 N ATOM 1839 CA PHE A 115 -7.780 6.811 1.129 1.00 0.00 C ATOM 1840 C PHE A 115 -7.545 8.185 1.760 1.00 0.00 C ATOM 1841 O PHE A 115 -8.009 9.185 1.249 1.00 0.00 O ATOM 1842 CB PHE A 115 -6.786 6.572 -0.009 1.00 0.00 C ATOM 1843 CG PHE A 115 -6.652 5.086 -0.233 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -6.336 4.242 0.840 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -6.854 4.549 -1.509 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -6.224 2.863 0.633 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -6.740 3.171 -1.716 1.00 0.00 C ATOM 1848 CZ PHE A 115 -6.427 2.328 -0.645 1.00 0.00 C ATOM 0 H PHE A 115 -9.299 7.142 -0.332 1.00 0.00 H new ATOM 0 HA PHE A 115 -7.635 6.032 1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.130 7.062 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.817 7.005 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -6.179 4.655 1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.098 5.200 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -5.981 2.211 1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -6.894 2.758 -2.702 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.342 1.263 -0.804 1.00 0.00 H new ATOM 1858 N PRO A 116 -6.849 8.195 2.867 1.00 0.00 N ATOM 1859 CA PRO A 116 -6.566 9.439 3.598 1.00 0.00 C ATOM 1860 C PRO A 116 -5.713 10.373 2.734 1.00 0.00 C ATOM 1861 O PRO A 116 -4.920 9.920 1.933 1.00 0.00 O ATOM 1862 CB PRO A 116 -5.798 8.987 4.848 1.00 0.00 C ATOM 1863 CG PRO A 116 -5.707 7.443 4.816 1.00 0.00 C ATOM 1864 CD PRO A 116 -6.288 6.976 3.475 1.00 0.00 C ATOM 0 HA PRO A 116 -7.469 9.993 3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -4.801 9.428 4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.309 9.321 5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.672 7.117 4.920 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.263 7.009 5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -5.518 6.536 2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -7.056 6.216 3.619 1.00 0.00 H new ATOM 1872 N PRO A 117 -5.908 11.655 2.919 1.00 0.00 N ATOM 1873 CA PRO A 117 -5.171 12.676 2.159 1.00 0.00 C ATOM 1874 C PRO A 117 -3.665 12.520 2.381 1.00 0.00 C ATOM 1875 O PRO A 117 -3.174 12.635 3.486 1.00 0.00 O ATOM 1876 CB PRO A 117 -5.666 14.017 2.716 1.00 0.00 C ATOM 1877 CG PRO A 117 -6.725 13.712 3.805 1.00 0.00 C ATOM 1878 CD PRO A 117 -6.873 12.185 3.899 1.00 0.00 C ATOM 0 HA PRO A 117 -5.339 12.594 1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.837 14.586 3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -6.098 14.625 1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.416 14.126 4.765 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -7.679 14.174 3.551 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -6.653 11.827 4.905 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.890 11.870 3.664 1.00 0.00 H new ATOM 1886 N ALA A 118 -2.932 12.260 1.333 1.00 0.00 N ATOM 1887 CA ALA A 118 -1.458 12.096 1.470 1.00 0.00 C ATOM 1888 C ALA A 118 -0.915 11.382 0.229 1.00 0.00 C ATOM 1889 O ALA A 118 0.243 11.508 -0.113 1.00 0.00 O ATOM 1890 CB ALA A 118 -1.148 11.260 2.715 1.00 0.00 C ATOM 0 H ALA A 118 -3.292 12.154 0.385 1.00 0.00 H new ATOM 0 HA ALA A 118 -0.989 13.075 1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.069 11.141 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.540 11.764 3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.614 10.279 2.620 1.00 0.00 H new ATOM 1896 N ASN A 119 -1.742 10.625 -0.441 1.00 0.00 N ATOM 1897 CA ASN A 119 -1.280 9.896 -1.649 1.00 0.00 C ATOM 1898 C ASN A 119 -2.148 10.283 -2.850 1.00 0.00 C ATOM 1899 O ASN A 119 -2.562 9.446 -3.622 1.00 0.00 O ATOM 1900 CB ASN A 119 -1.410 8.400 -1.391 1.00 0.00 C ATOM 1901 CG ASN A 119 -0.027 7.805 -1.145 1.00 0.00 C ATOM 1902 OD1 ASN A 119 0.559 7.209 -2.027 1.00 0.00 O ATOM 1903 ND2 ASN A 119 0.525 7.945 0.028 1.00 0.00 N ATOM 0 H ASN A 119 -2.723 10.482 -0.199 1.00 0.00 H new ATOM 0 HA ASN A 119 -0.242 10.153 -1.863 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.052 8.223 -0.528 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -1.881 7.912 -2.245 1.00 0.00 H new ATOM 0 HD21 ASN A 119 1.450 7.554 0.206 1.00 0.00 H new ATOM 0 HD22 ASN A 119 0.032 8.446 0.767 1.00 0.00 H new ATOM 1910 N GLU A 120 -2.429 11.542 -3.007 1.00 0.00 N ATOM 1911 CA GLU A 120 -3.272 11.991 -4.152 1.00 0.00 C ATOM 1912 C GLU A 120 -2.571 11.771 -5.515 1.00 0.00 C ATOM 1913 O GLU A 120 -3.226 11.426 -6.477 1.00 0.00 O ATOM 1914 CB GLU A 120 -3.585 13.480 -3.991 1.00 0.00 C ATOM 1915 CG GLU A 120 -3.848 13.791 -2.516 1.00 0.00 C ATOM 1916 CD GLU A 120 -4.611 15.113 -2.401 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -3.996 16.147 -2.595 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -5.798 15.066 -2.121 1.00 0.00 O ATOM 0 H GLU A 120 -2.110 12.288 -2.388 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.185 11.396 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.751 14.079 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.456 13.746 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.424 12.986 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.905 13.855 -1.973 1.00 0.00 H new ATOM 1925 N PRO A 121 -1.277 12.011 -5.578 1.00 0.00 N ATOM 1926 CA PRO A 121 -0.512 11.876 -6.838 1.00 0.00 C ATOM 1927 C PRO A 121 -0.479 10.427 -7.350 1.00 0.00 C ATOM 1928 O PRO A 121 -0.482 10.194 -8.542 1.00 0.00 O ATOM 1929 CB PRO A 121 0.907 12.343 -6.489 1.00 0.00 C ATOM 1930 CG PRO A 121 0.916 12.742 -4.993 1.00 0.00 C ATOM 1931 CD PRO A 121 -0.475 12.433 -4.421 1.00 0.00 C ATOM 0 HA PRO A 121 -0.971 12.461 -7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.629 11.548 -6.677 1.00 0.00 H new ATOM 0 HB3 PRO A 121 1.195 13.189 -7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 121 1.684 12.187 -4.453 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.150 13.801 -4.881 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -0.426 11.647 -3.667 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -0.908 13.310 -3.940 1.00 0.00 H new ATOM 1939 N VAL A 122 -0.442 9.451 -6.481 1.00 0.00 N ATOM 1940 CA VAL A 122 -0.405 8.048 -6.961 1.00 0.00 C ATOM 1941 C VAL A 122 -1.847 7.541 -7.005 1.00 0.00 C ATOM 1942 O VAL A 122 -2.309 7.023 -8.001 1.00 0.00 O ATOM 1943 CB VAL A 122 0.481 7.229 -5.999 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -0.211 5.942 -5.558 1.00 0.00 C ATOM 1945 CG2 VAL A 122 1.795 6.877 -6.700 1.00 0.00 C ATOM 0 H VAL A 122 -0.436 9.568 -5.468 1.00 0.00 H new ATOM 0 HA VAL A 122 0.023 7.957 -7.959 1.00 0.00 H new ATOM 0 HB VAL A 122 0.670 7.835 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.442 5.391 -4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.141 6.186 -5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.429 5.328 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.424 6.298 -6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.585 6.289 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.313 7.793 -6.983 1.00 0.00 H new ATOM 1955 N ILE A 123 -2.564 7.723 -5.937 1.00 0.00 N ATOM 1956 CA ILE A 123 -3.983 7.303 -5.907 1.00 0.00 C ATOM 1957 C ILE A 123 -4.683 7.846 -7.152 1.00 0.00 C ATOM 1958 O ILE A 123 -5.575 7.228 -7.699 1.00 0.00 O ATOM 1959 CB ILE A 123 -4.634 7.894 -4.670 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -3.955 7.306 -3.430 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -6.122 7.554 -4.684 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -4.518 5.913 -3.134 1.00 0.00 C ATOM 0 H ILE A 123 -2.222 8.149 -5.076 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.059 6.216 -5.886 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.523 8.978 -4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.878 7.246 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.114 7.961 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -6.600 7.974 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -6.583 7.973 -5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -6.248 6.471 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -4.029 5.503 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.591 5.985 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -4.336 5.258 -3.986 1.00 0.00 H new ATOM 1974 N ALA A 124 -4.277 9.004 -7.602 1.00 0.00 N ATOM 1975 CA ALA A 124 -4.910 9.596 -8.814 1.00 0.00 C ATOM 1976 C ALA A 124 -4.864 8.575 -9.951 1.00 0.00 C ATOM 1977 O ALA A 124 -5.843 8.339 -10.630 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.145 10.855 -9.226 1.00 0.00 C ATOM 0 H ALA A 124 -3.535 9.564 -7.182 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.946 9.859 -8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.608 11.288 -10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.171 11.580 -8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.110 10.596 -9.447 1.00 0.00 H new ATOM 1984 N LYS A 125 -3.731 7.969 -10.163 1.00 0.00 N ATOM 1985 CA LYS A 125 -3.618 6.964 -11.253 1.00 0.00 C ATOM 1986 C LYS A 125 -4.481 5.744 -10.916 1.00 0.00 C ATOM 1987 O LYS A 125 -4.967 5.054 -11.789 1.00 0.00 O ATOM 1988 CB LYS A 125 -2.159 6.532 -11.402 1.00 0.00 C ATOM 1989 CG LYS A 125 -1.900 6.099 -12.845 1.00 0.00 C ATOM 1990 CD LYS A 125 -1.433 7.304 -13.663 1.00 0.00 C ATOM 1991 CE LYS A 125 -1.150 6.867 -15.101 1.00 0.00 C ATOM 1992 NZ LYS A 125 0.321 6.745 -15.298 1.00 0.00 N ATOM 0 H LYS A 125 -2.877 8.127 -9.628 1.00 0.00 H new ATOM 0 HA LYS A 125 -3.962 7.405 -12.189 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.496 7.354 -11.133 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.940 5.710 -10.720 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.144 5.314 -12.870 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.808 5.681 -13.279 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -2.196 8.082 -13.652 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -0.535 7.732 -13.219 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.636 5.913 -15.306 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.563 7.592 -15.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 0.517 6.448 -16.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 0.773 7.664 -15.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.702 6.037 -14.638 1.00 0.00 H new ATOM 2006 N LEU A 126 -4.673 5.470 -9.652 1.00 0.00 N ATOM 2007 CA LEU A 126 -5.494 4.305 -9.251 1.00 0.00 C ATOM 2008 C LEU A 126 -6.965 4.579 -9.568 1.00 0.00 C ATOM 2009 O LEU A 126 -7.798 3.698 -9.505 1.00 0.00 O ATOM 2010 CB LEU A 126 -5.333 4.086 -7.750 1.00 0.00 C ATOM 2011 CG LEU A 126 -3.861 4.239 -7.356 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -3.673 3.808 -5.900 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -3.002 3.355 -8.259 1.00 0.00 C ATOM 0 H LEU A 126 -4.290 6.013 -8.878 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.169 3.419 -9.796 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.942 4.805 -7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -5.690 3.093 -7.478 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.561 5.281 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.625 3.917 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.288 4.433 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.972 2.766 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.953 3.461 -7.981 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.304 2.314 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.135 3.658 -9.298 1.00 0.00 H new ATOM 2025 N LYS A 127 -7.291 5.796 -9.909 1.00 0.00 N ATOM 2026 CA LYS A 127 -8.693 6.132 -10.229 1.00 0.00 C ATOM 2027 C LYS A 127 -9.181 5.227 -11.356 1.00 0.00 C ATOM 2028 O LYS A 127 -10.199 4.572 -11.248 1.00 0.00 O ATOM 2029 CB LYS A 127 -8.737 7.588 -10.675 1.00 0.00 C ATOM 2030 CG LYS A 127 -8.358 8.491 -9.499 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.575 9.313 -9.067 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.626 9.386 -7.540 1.00 0.00 C ATOM 2033 NZ LYS A 127 -8.792 10.529 -7.069 1.00 0.00 N ATOM 0 H LYS A 127 -6.635 6.574 -9.978 1.00 0.00 H new ATOM 0 HA LYS A 127 -9.334 5.988 -9.359 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.049 7.746 -11.506 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.735 7.840 -11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.000 7.887 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.542 9.154 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -9.517 10.317 -9.488 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -10.489 8.859 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -10.656 9.511 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -9.262 8.454 -7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.826 10.579 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -7.808 10.391 -7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -9.159 11.415 -7.471 1.00 0.00 H new ATOM 2047 N ARG A 128 -8.457 5.181 -12.435 1.00 0.00 N ATOM 2048 CA ARG A 128 -8.858 4.321 -13.568 1.00 0.00 C ATOM 2049 C ARG A 128 -8.067 3.012 -13.506 1.00 0.00 C ATOM 2050 O ARG A 128 -7.834 2.365 -14.508 1.00 0.00 O ATOM 2051 CB ARG A 128 -8.577 5.030 -14.900 1.00 0.00 C ATOM 2052 CG ARG A 128 -7.629 6.218 -14.700 1.00 0.00 C ATOM 2053 CD ARG A 128 -7.471 6.975 -16.019 1.00 0.00 C ATOM 2054 NE ARG A 128 -8.081 8.329 -15.888 1.00 0.00 N ATOM 2055 CZ ARG A 128 -7.821 9.254 -16.772 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -7.883 8.977 -18.045 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -7.504 10.457 -16.381 1.00 0.00 N ATOM 0 H ARG A 128 -7.596 5.709 -12.578 1.00 0.00 H new ATOM 0 HA ARG A 128 -9.926 4.114 -13.501 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -8.138 4.325 -15.606 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -9.514 5.377 -15.336 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -8.021 6.884 -13.931 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -6.658 5.867 -14.352 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -6.416 7.063 -16.277 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -7.952 6.424 -16.827 1.00 0.00 H new ATOM 0 HE ARG A 128 -8.703 8.533 -15.106 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -8.135 8.037 -18.351 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -7.680 9.700 -18.735 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -7.459 10.675 -15.385 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -7.301 11.180 -17.071 1.00 0.00 H new ATOM 2071 N LEU A 129 -7.651 2.620 -12.331 1.00 0.00 N ATOM 2072 CA LEU A 129 -6.872 1.356 -12.191 1.00 0.00 C ATOM 2073 C LEU A 129 -7.501 0.267 -13.064 1.00 0.00 C ATOM 2074 O LEU A 129 -6.876 -0.119 -14.037 1.00 0.00 O ATOM 2075 CB LEU A 129 -6.890 0.910 -10.726 1.00 0.00 C ATOM 2076 CG LEU A 129 -5.592 0.170 -10.393 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -4.510 1.179 -10.006 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -5.838 -0.783 -9.222 1.00 0.00 C ATOM 2079 OXT LEU A 129 -8.599 -0.160 -12.746 1.00 0.00 O ATOM 0 H LEU A 129 -7.818 3.123 -11.459 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.843 1.525 -12.509 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -7.003 1.776 -10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -7.746 0.261 -10.545 1.00 0.00 H new ATOM 0 HG LEU A 129 -5.264 -0.396 -11.265 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.587 0.650 -9.769 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -4.334 1.861 -10.838 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -4.837 1.746 -9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -4.915 -1.311 -8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -6.166 -0.214 -8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.608 -1.504 -9.495 1.00 0.00 H new