USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 744 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 93 LYS NZ :NH3+ -161:sc= 0.0432 (180deg=0) USER MOD Set 1.2: A 94 TYR OH : rot 171:sc= -0.904 USER MOD Single : A 8 ASN : amide:sc= -0.0974 X(o=-0.097,f=-0.4) USER MOD Single : A 14 GLN : amide:sc= -0.0964 X(o=-0.096,f=0) USER MOD Single : A 15 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.2!) USER MOD Single : A 24 SER OG : rot -85:sc= 1.27 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -11:sc= -4.11! USER MOD Single : A 46 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 54 MET CE :methyl 140:sc= -6.88! (180deg=-9.55!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -139:sc= 1.07 USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00448) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -140:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 146:sc= -0.0898 (180deg=-0.409) USER MOD Single : A 78 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.0092) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 15:sc= -0.422 USER MOD Single : A 90 CYS SG : rot 20:sc= 0.692 USER MOD Single : A 91 GLN : amide:sc= -0.0828 X(o=-0.083,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -159:sc= 0.041 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ASN A 8 -9.452 -22.264 -6.122 1.00 0.00 N ATOM 69 CA ASN A 8 -8.796 -21.250 -6.941 1.00 0.00 C ATOM 70 C ASN A 8 -7.835 -21.894 -7.936 1.00 0.00 C ATOM 71 O ASN A 8 -6.909 -22.607 -7.548 1.00 0.00 O ATOM 72 CB ASN A 8 -8.040 -20.259 -6.054 1.00 0.00 C ATOM 73 CG ASN A 8 -7.113 -20.952 -5.074 1.00 0.00 C ATOM 74 OD1 ASN A 8 -5.945 -21.197 -5.373 1.00 0.00 O ATOM 75 ND2 ASN A 8 -7.633 -21.273 -3.894 1.00 0.00 N ATOM 0 HA ASN A 8 -9.565 -20.715 -7.498 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.460 -19.582 -6.682 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.756 -19.649 -5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.058 -21.742 -3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.607 -21.051 -3.688 1.00 0.00 H new ATOM 82 N GLU A 9 -8.062 -21.639 -9.220 1.00 0.00 N ATOM 83 CA GLU A 9 -7.215 -22.195 -10.270 1.00 0.00 C ATOM 84 C GLU A 9 -6.329 -21.115 -10.883 1.00 0.00 C ATOM 85 O GLU A 9 -5.211 -21.390 -11.320 1.00 0.00 O ATOM 86 CB GLU A 9 -8.075 -22.844 -11.356 1.00 0.00 C ATOM 87 CG GLU A 9 -8.608 -24.213 -10.972 1.00 0.00 C ATOM 88 CD GLU A 9 -9.466 -24.175 -9.723 1.00 0.00 C ATOM 89 OE1 GLU A 9 -10.434 -23.385 -9.691 1.00 0.00 O ATOM 90 OE2 GLU A 9 -9.173 -24.936 -8.777 1.00 0.00 O ATOM 0 H GLU A 9 -8.824 -21.052 -9.559 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.573 -22.954 -9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.915 -22.187 -11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.485 -22.936 -12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.194 -24.616 -11.798 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.771 -24.893 -10.813 1.00 0.00 H new ATOM 97 N GLU A 10 -6.835 -19.886 -10.913 1.00 0.00 N ATOM 98 CA GLU A 10 -6.090 -18.765 -11.474 1.00 0.00 C ATOM 99 C GLU A 10 -4.990 -18.312 -10.518 1.00 0.00 C ATOM 100 O GLU A 10 -3.891 -17.958 -10.943 1.00 0.00 O ATOM 101 CB GLU A 10 -7.032 -17.600 -11.777 1.00 0.00 C ATOM 102 CG GLU A 10 -7.718 -17.708 -13.128 1.00 0.00 C ATOM 103 CD GLU A 10 -8.250 -16.376 -13.621 1.00 0.00 C ATOM 104 OE1 GLU A 10 -7.429 -15.474 -13.893 1.00 0.00 O ATOM 105 OE2 GLU A 10 -9.485 -16.236 -13.737 1.00 0.00 O ATOM 0 H GLU A 10 -7.758 -19.641 -10.555 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.626 -19.097 -12.403 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.791 -17.545 -10.997 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.468 -16.668 -11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.013 -18.106 -13.858 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.540 -18.420 -13.058 1.00 0.00 H new ATOM 112 N LEU A 11 -5.297 -18.325 -9.224 1.00 0.00 N ATOM 113 CA LEU A 11 -4.335 -17.915 -8.207 1.00 0.00 C ATOM 114 C LEU A 11 -3.213 -18.941 -8.072 1.00 0.00 C ATOM 115 O LEU A 11 -2.087 -18.600 -7.711 1.00 0.00 O ATOM 116 CB LEU A 11 -5.037 -17.727 -6.860 1.00 0.00 C ATOM 117 CG LEU A 11 -4.625 -16.474 -6.085 1.00 0.00 C ATOM 118 CD1 LEU A 11 -5.635 -15.357 -6.302 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.483 -16.785 -4.602 1.00 0.00 C ATOM 0 H LEU A 11 -6.203 -18.615 -8.856 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.897 -16.966 -8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.113 -17.693 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.840 -18.601 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.657 -16.141 -6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.326 -14.474 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.688 -15.115 -7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.616 -15.681 -5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.189 -15.882 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.436 -17.144 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.722 -17.553 -4.462 1.00 0.00 H new ATOM 131 N ARG A 12 -3.529 -20.200 -8.363 1.00 0.00 N ATOM 132 CA ARG A 12 -2.549 -21.276 -8.273 1.00 0.00 C ATOM 133 C ARG A 12 -1.485 -21.156 -9.365 1.00 0.00 C ATOM 134 O ARG A 12 -0.463 -21.840 -9.320 1.00 0.00 O ATOM 135 CB ARG A 12 -3.247 -22.635 -8.369 1.00 0.00 C ATOM 136 CG ARG A 12 -3.079 -23.493 -7.125 1.00 0.00 C ATOM 137 CD ARG A 12 -3.809 -24.819 -7.259 1.00 0.00 C ATOM 138 NE ARG A 12 -3.260 -25.839 -6.369 1.00 0.00 N ATOM 139 CZ ARG A 12 -3.505 -27.142 -6.493 1.00 0.00 C ATOM 140 NH1 ARG A 12 -4.290 -27.586 -7.468 1.00 0.00 N ATOM 141 NH2 ARG A 12 -2.965 -28.002 -5.641 1.00 0.00 N ATOM 0 H ARG A 12 -4.457 -20.499 -8.663 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.051 -21.194 -7.307 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.310 -22.476 -8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.854 -23.176 -9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.019 -23.676 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.458 -22.954 -6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.866 -24.675 -7.036 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.745 -25.165 -8.290 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.653 -25.535 -5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.708 -26.928 -8.126 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.475 -28.585 -7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.362 -27.666 -4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.153 -29.000 -5.736 1.00 0.00 H new ATOM 155 N ALA A 13 -1.729 -20.287 -10.344 1.00 0.00 N ATOM 156 CA ALA A 13 -0.786 -20.090 -11.439 1.00 0.00 C ATOM 157 C ALA A 13 -0.349 -18.632 -11.537 1.00 0.00 C ATOM 158 O ALA A 13 0.821 -18.340 -11.781 1.00 0.00 O ATOM 159 CB ALA A 13 -1.403 -20.546 -12.753 1.00 0.00 C ATOM 0 H ALA A 13 -2.569 -19.711 -10.400 1.00 0.00 H new ATOM 0 HA ALA A 13 0.099 -20.692 -11.234 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.689 -20.394 -13.562 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.657 -21.604 -12.688 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.305 -19.968 -12.951 1.00 0.00 H new ATOM 165 N GLN A 14 -1.298 -17.721 -11.347 1.00 0.00 N ATOM 166 CA GLN A 14 -1.011 -16.292 -11.416 1.00 0.00 C ATOM 167 C GLN A 14 -0.015 -15.877 -10.338 1.00 0.00 C ATOM 168 O GLN A 14 0.751 -14.930 -10.520 1.00 0.00 O ATOM 169 CB GLN A 14 -2.302 -15.485 -11.270 1.00 0.00 C ATOM 170 CG GLN A 14 -2.150 -14.020 -11.642 1.00 0.00 C ATOM 171 CD GLN A 14 -2.288 -13.779 -13.132 1.00 0.00 C ATOM 172 OE1 GLN A 14 -3.359 -13.416 -13.617 1.00 0.00 O ATOM 173 NE2 GLN A 14 -1.202 -13.982 -13.868 1.00 0.00 N ATOM 0 H GLN A 14 -2.272 -17.946 -11.144 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.567 -16.086 -12.390 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.073 -15.932 -11.898 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.650 -15.555 -10.239 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.901 -13.435 -11.112 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.175 -13.664 -11.309 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.334 -14.283 -13.424 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.235 -13.837 -14.877 1.00 0.00 H new ATOM 182 N GLN A 15 -0.033 -16.585 -9.213 1.00 0.00 N ATOM 183 CA GLN A 15 0.869 -16.282 -8.106 1.00 0.00 C ATOM 184 C GLN A 15 1.687 -17.508 -7.711 1.00 0.00 C ATOM 185 O GLN A 15 1.910 -17.763 -6.528 1.00 0.00 O ATOM 186 CB GLN A 15 0.075 -15.775 -6.901 1.00 0.00 C ATOM 187 CG GLN A 15 -0.902 -14.662 -7.241 1.00 0.00 C ATOM 188 CD GLN A 15 -1.115 -13.702 -6.088 1.00 0.00 C ATOM 189 OE1 GLN A 15 -0.822 -12.427 -6.318 1.00 0.00 O flip ATOM 190 NE2 GLN A 15 -1.539 -14.099 -5.003 1.00 0.00 N flip ATOM 0 H GLN A 15 -0.661 -17.371 -9.044 1.00 0.00 H new ATOM 0 HA GLN A 15 1.557 -15.504 -8.436 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.474 -16.608 -6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.771 -15.417 -6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.532 -14.110 -8.105 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.859 -15.098 -7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.752 -15.088 -4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.678 -13.439 -4.237 1.00 0.00 H new ATOM 199 N GLU A 16 2.134 -18.264 -8.709 1.00 0.00 N ATOM 200 CA GLU A 16 2.930 -19.462 -8.462 1.00 0.00 C ATOM 201 C GLU A 16 4.137 -19.517 -9.392 1.00 0.00 C ATOM 202 O GLU A 16 5.267 -19.712 -8.947 1.00 0.00 O ATOM 203 CB GLU A 16 2.072 -20.715 -8.641 1.00 0.00 C ATOM 204 CG GLU A 16 1.329 -21.128 -7.381 1.00 0.00 C ATOM 205 CD GLU A 16 1.374 -22.624 -7.141 1.00 0.00 C ATOM 206 OE1 GLU A 16 2.384 -23.107 -6.590 1.00 0.00 O ATOM 207 OE2 GLU A 16 0.398 -23.313 -7.505 1.00 0.00 O ATOM 0 H GLU A 16 1.959 -18.069 -9.695 1.00 0.00 H new ATOM 0 HA GLU A 16 3.291 -19.422 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.349 -20.540 -9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.709 -21.539 -8.964 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.762 -20.613 -6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.290 -20.807 -7.455 1.00 0.00 H new ATOM 214 N ALA A 17 3.889 -19.343 -10.686 1.00 0.00 N ATOM 215 CA ALA A 17 4.956 -19.373 -11.679 1.00 0.00 C ATOM 216 C ALA A 17 5.336 -17.962 -12.116 1.00 0.00 C ATOM 217 O ALA A 17 6.485 -17.699 -12.470 1.00 0.00 O ATOM 218 CB ALA A 17 4.535 -20.204 -12.881 1.00 0.00 C ATOM 0 H ALA A 17 2.959 -19.180 -11.071 1.00 0.00 H new ATOM 0 HA ALA A 17 5.832 -19.834 -11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.341 -20.218 -13.614 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.318 -21.223 -12.561 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.643 -19.768 -13.331 1.00 0.00 H new ATOM 224 N GLU A 18 4.363 -17.058 -12.088 1.00 0.00 N ATOM 225 CA GLU A 18 4.594 -15.672 -12.480 1.00 0.00 C ATOM 226 C GLU A 18 5.071 -14.835 -11.295 1.00 0.00 C ATOM 227 O GLU A 18 5.661 -13.770 -11.476 1.00 0.00 O ATOM 228 CB GLU A 18 3.316 -15.068 -13.064 1.00 0.00 C ATOM 229 CG GLU A 18 2.952 -15.621 -14.432 1.00 0.00 C ATOM 230 CD GLU A 18 3.725 -14.956 -15.555 1.00 0.00 C ATOM 231 OE1 GLU A 18 3.528 -13.743 -15.773 1.00 0.00 O ATOM 232 OE2 GLU A 18 4.528 -15.649 -16.214 1.00 0.00 O ATOM 0 H GLU A 18 3.406 -17.260 -11.798 1.00 0.00 H new ATOM 0 HA GLU A 18 5.375 -15.664 -13.240 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.490 -15.251 -12.376 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.436 -13.987 -13.138 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.145 -16.694 -14.449 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.884 -15.486 -14.602 1.00 0.00 H new ATOM 239 N ALA A 19 4.814 -15.321 -10.084 1.00 0.00 N ATOM 240 CA ALA A 19 5.219 -14.614 -8.875 1.00 0.00 C ATOM 241 C ALA A 19 6.572 -15.111 -8.372 1.00 0.00 C ATOM 242 O ALA A 19 6.780 -15.261 -7.167 1.00 0.00 O ATOM 243 CB ALA A 19 4.160 -14.769 -7.793 1.00 0.00 C ATOM 0 H ALA A 19 4.327 -16.201 -9.915 1.00 0.00 H new ATOM 0 HA ALA A 19 5.320 -13.557 -9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.476 -14.236 -6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.215 -14.356 -8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.030 -15.826 -7.560 1.00 0.00 H new ATOM 249 N ALA A 20 7.488 -15.365 -9.301 1.00 0.00 N ATOM 250 CA ALA A 20 8.820 -15.845 -8.951 1.00 0.00 C ATOM 251 C ALA A 20 9.885 -14.816 -9.315 1.00 0.00 C ATOM 252 O ALA A 20 10.460 -14.169 -8.439 1.00 0.00 O ATOM 253 CB ALA A 20 9.102 -17.168 -9.645 1.00 0.00 C ATOM 0 H ALA A 20 7.332 -15.246 -10.302 1.00 0.00 H new ATOM 0 HA ALA A 20 8.854 -15.999 -7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.099 -17.515 -9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.364 -17.907 -9.333 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.045 -17.032 -10.725 1.00 0.00 H new ATOM 259 N GLN A 21 10.141 -14.670 -10.610 1.00 0.00 N ATOM 260 CA GLN A 21 11.137 -13.719 -11.090 1.00 0.00 C ATOM 261 C GLN A 21 10.470 -12.545 -11.800 1.00 0.00 C ATOM 262 O GLN A 21 10.972 -11.422 -11.770 1.00 0.00 O ATOM 263 CB GLN A 21 12.121 -14.411 -12.035 1.00 0.00 C ATOM 264 CG GLN A 21 11.446 -15.254 -13.104 1.00 0.00 C ATOM 265 CD GLN A 21 11.470 -16.735 -12.781 1.00 0.00 C ATOM 266 OE1 GLN A 21 12.329 -17.204 -12.033 1.00 0.00 O ATOM 267 NE2 GLN A 21 10.526 -17.480 -13.344 1.00 0.00 N ATOM 0 H GLN A 21 9.673 -15.198 -11.346 1.00 0.00 H new ATOM 0 HA GLN A 21 11.683 -13.336 -10.228 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.741 -13.655 -12.517 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.788 -15.045 -11.451 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.412 -14.928 -13.219 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.942 -15.086 -14.060 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.834 -17.049 -13.957 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.493 -18.483 -13.163 1.00 0.00 H new ATOM 276 N ARG A 22 9.337 -12.815 -12.439 1.00 0.00 N ATOM 277 CA ARG A 22 8.600 -11.782 -13.158 1.00 0.00 C ATOM 278 C ARG A 22 8.056 -10.732 -12.195 1.00 0.00 C ATOM 279 O ARG A 22 8.121 -9.533 -12.465 1.00 0.00 O ATOM 280 CB ARG A 22 7.451 -12.404 -13.953 1.00 0.00 C ATOM 281 CG ARG A 22 7.914 -13.306 -15.087 1.00 0.00 C ATOM 282 CD ARG A 22 7.101 -13.074 -16.351 1.00 0.00 C ATOM 283 NE ARG A 22 7.628 -11.967 -17.145 1.00 0.00 N ATOM 284 CZ ARG A 22 6.927 -11.318 -18.072 1.00 0.00 C ATOM 285 NH1 ARG A 22 5.670 -11.661 -18.325 1.00 0.00 N ATOM 286 NH2 ARG A 22 7.483 -10.321 -18.747 1.00 0.00 N ATOM 0 H ARG A 22 8.909 -13.740 -12.474 1.00 0.00 H new ATOM 0 HA ARG A 22 9.288 -11.295 -13.849 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.821 -12.980 -13.275 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.831 -11.607 -14.364 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.968 -13.122 -15.292 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.826 -14.349 -14.783 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.099 -13.983 -16.953 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.065 -12.867 -16.083 1.00 0.00 H new ATOM 0 HE ARG A 22 8.591 -11.674 -16.979 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.236 -12.426 -17.808 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.138 -11.160 -19.037 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.448 -10.051 -18.556 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.946 -9.824 -19.457 1.00 0.00 H new ATOM 300 N LEU A 23 7.518 -11.193 -11.069 1.00 0.00 N ATOM 301 CA LEU A 23 6.962 -10.294 -10.064 1.00 0.00 C ATOM 302 C LEU A 23 8.061 -9.669 -9.204 1.00 0.00 C ATOM 303 O LEU A 23 7.792 -8.793 -8.382 1.00 0.00 O ATOM 304 CB LEU A 23 5.971 -11.045 -9.174 1.00 0.00 C ATOM 305 CG LEU A 23 5.028 -10.155 -8.361 1.00 0.00 C ATOM 306 CD1 LEU A 23 4.041 -9.447 -9.275 1.00 0.00 C ATOM 307 CD2 LEU A 23 4.292 -10.978 -7.314 1.00 0.00 C ATOM 0 H LEU A 23 7.456 -12.183 -10.831 1.00 0.00 H new ATOM 0 HA LEU A 23 6.443 -9.491 -10.587 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.372 -11.706 -9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.531 -11.678 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 23 5.623 -9.399 -7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.379 -8.819 -8.679 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.585 -8.827 -9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.450 -10.187 -9.815 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.626 -10.330 -6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.708 -11.756 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.014 -11.438 -6.640 1.00 0.00 H new ATOM 319 N SER A 24 9.299 -10.119 -9.397 1.00 0.00 N ATOM 320 CA SER A 24 10.429 -9.598 -8.634 1.00 0.00 C ATOM 321 C SER A 24 10.546 -8.086 -8.797 1.00 0.00 C ATOM 322 O SER A 24 10.932 -7.379 -7.866 1.00 0.00 O ATOM 323 CB SER A 24 11.727 -10.273 -9.081 1.00 0.00 C ATOM 324 OG SER A 24 12.227 -9.681 -10.268 1.00 0.00 O ATOM 0 H SER A 24 9.544 -10.842 -10.074 1.00 0.00 H new ATOM 0 HA SER A 24 10.256 -9.819 -7.581 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.473 -10.195 -8.290 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.549 -11.335 -9.248 1.00 0.00 H new ATOM 0 HG SER A 24 11.791 -10.089 -11.045 1.00 0.00 H new ATOM 330 N GLU A 25 10.208 -7.597 -9.985 1.00 0.00 N ATOM 331 CA GLU A 25 10.274 -6.168 -10.270 1.00 0.00 C ATOM 332 C GLU A 25 9.144 -5.423 -9.568 1.00 0.00 C ATOM 333 O GLU A 25 9.339 -4.324 -9.048 1.00 0.00 O ATOM 334 CB GLU A 25 10.207 -5.925 -11.780 1.00 0.00 C ATOM 335 CG GLU A 25 11.360 -5.092 -12.312 1.00 0.00 C ATOM 336 CD GLU A 25 11.315 -4.927 -13.819 1.00 0.00 C ATOM 337 OE1 GLU A 25 10.223 -4.635 -14.351 1.00 0.00 O ATOM 338 OE2 GLU A 25 12.370 -5.092 -14.467 1.00 0.00 O ATOM 0 H GLU A 25 9.886 -8.169 -10.766 1.00 0.00 H new ATOM 0 HA GLU A 25 11.223 -5.788 -9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.196 -6.886 -12.294 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.268 -5.425 -12.018 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.340 -4.109 -11.842 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.303 -5.561 -12.030 1.00 0.00 H new ATOM 345 N GLU A 26 7.960 -6.028 -9.556 1.00 0.00 N ATOM 346 CA GLU A 26 6.798 -5.424 -8.918 1.00 0.00 C ATOM 347 C GLU A 26 6.957 -5.411 -7.400 1.00 0.00 C ATOM 348 O GLU A 26 6.534 -4.470 -6.730 1.00 0.00 O ATOM 349 CB GLU A 26 5.525 -6.182 -9.307 1.00 0.00 C ATOM 350 CG GLU A 26 4.560 -5.359 -10.144 1.00 0.00 C ATOM 351 CD GLU A 26 3.554 -6.218 -10.886 1.00 0.00 C ATOM 352 OE1 GLU A 26 3.949 -7.289 -11.394 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.373 -5.821 -10.957 1.00 0.00 O ATOM 0 H GLU A 26 7.781 -6.937 -9.982 1.00 0.00 H new ATOM 0 HA GLU A 26 6.717 -4.394 -9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.801 -7.079 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.017 -6.512 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.029 -4.660 -9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.124 -4.764 -10.862 1.00 0.00 H new ATOM 360 N LYS A 27 7.571 -6.463 -6.867 1.00 0.00 N ATOM 361 CA LYS A 27 7.787 -6.572 -5.428 1.00 0.00 C ATOM 362 C LYS A 27 8.751 -5.496 -4.942 1.00 0.00 C ATOM 363 O LYS A 27 8.538 -4.886 -3.894 1.00 0.00 O ATOM 364 CB LYS A 27 8.328 -7.959 -5.076 1.00 0.00 C ATOM 365 CG LYS A 27 8.415 -8.215 -3.579 1.00 0.00 C ATOM 366 CD LYS A 27 8.002 -9.636 -3.231 1.00 0.00 C ATOM 367 CE LYS A 27 9.212 -10.523 -2.985 1.00 0.00 C ATOM 368 NZ LYS A 27 8.832 -11.818 -2.353 1.00 0.00 N ATOM 0 H LYS A 27 7.927 -7.251 -7.409 1.00 0.00 H new ATOM 0 HA LYS A 27 6.829 -6.428 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.688 -8.716 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.319 -8.076 -5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.435 -8.038 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.774 -7.509 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.371 -9.625 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.404 -10.051 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.719 -10.715 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.921 -10.000 -2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.685 -12.394 -2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.371 -11.636 -1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.175 -12.329 -2.977 1.00 0.00 H new ATOM 382 N ALA A 28 9.813 -5.268 -5.709 1.00 0.00 N ATOM 383 CA ALA A 28 10.809 -4.264 -5.356 1.00 0.00 C ATOM 384 C ALA A 28 10.174 -2.884 -5.232 1.00 0.00 C ATOM 385 O ALA A 28 10.205 -2.269 -4.166 1.00 0.00 O ATOM 386 CB ALA A 28 11.927 -4.243 -6.388 1.00 0.00 C ATOM 0 H ALA A 28 10.005 -5.765 -6.579 1.00 0.00 H new ATOM 0 HA ALA A 28 11.231 -4.530 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.663 -3.489 -6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.406 -5.221 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.513 -4.004 -7.368 1.00 0.00 H new ATOM 392 N GLN A 29 9.595 -2.404 -6.328 1.00 0.00 N ATOM 393 CA GLN A 29 8.950 -1.096 -6.344 1.00 0.00 C ATOM 394 C GLN A 29 7.854 -1.016 -5.285 1.00 0.00 C ATOM 395 O GLN A 29 7.625 0.037 -4.691 1.00 0.00 O ATOM 396 CB GLN A 29 8.357 -0.811 -7.725 1.00 0.00 C ATOM 397 CG GLN A 29 7.417 -1.898 -8.215 1.00 0.00 C ATOM 398 CD GLN A 29 7.175 -1.828 -9.711 1.00 0.00 C ATOM 399 OE1 GLN A 29 6.036 -1.703 -10.162 1.00 0.00 O ATOM 400 NE2 GLN A 29 8.248 -1.909 -10.489 1.00 0.00 N ATOM 0 H GLN A 29 9.559 -2.902 -7.217 1.00 0.00 H new ATOM 0 HA GLN A 29 9.707 -0.345 -6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.819 0.136 -7.692 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.168 -0.692 -8.443 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.833 -2.874 -7.963 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.464 -1.813 -7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.173 -2.012 -10.072 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.147 -1.868 -11.503 1.00 0.00 H new ATOM 409 N ALA A 30 7.182 -2.139 -5.053 1.00 0.00 N ATOM 410 CA ALA A 30 6.111 -2.200 -4.066 1.00 0.00 C ATOM 411 C ALA A 30 6.657 -2.072 -2.648 1.00 0.00 C ATOM 412 O ALA A 30 5.941 -1.669 -1.731 1.00 0.00 O ATOM 413 CB ALA A 30 5.329 -3.496 -4.216 1.00 0.00 C ATOM 0 H ALA A 30 7.361 -3.020 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 30 5.441 -1.359 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.532 -3.528 -3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.896 -3.546 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.998 -4.344 -4.068 1.00 0.00 H new ATOM 419 N SER A 31 7.930 -2.418 -2.472 1.00 0.00 N ATOM 420 CA SER A 31 8.569 -2.341 -1.163 1.00 0.00 C ATOM 421 C SER A 31 9.351 -1.040 -1.013 1.00 0.00 C ATOM 422 O SER A 31 10.364 -0.991 -0.314 1.00 0.00 O ATOM 423 CB SER A 31 9.500 -3.537 -0.958 1.00 0.00 C ATOM 424 OG SER A 31 8.835 -4.593 -0.285 1.00 0.00 O ATOM 0 H SER A 31 8.538 -2.754 -3.219 1.00 0.00 H new ATOM 0 HA SER A 31 7.788 -2.362 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.863 -3.889 -1.924 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.373 -3.228 -0.383 1.00 0.00 H new ATOM 0 HG SER A 31 9.451 -5.346 -0.168 1.00 0.00 H new ATOM 430 N ALA A 32 8.876 0.012 -1.670 1.00 0.00 N ATOM 431 CA ALA A 32 9.531 1.313 -1.607 1.00 0.00 C ATOM 432 C ALA A 32 8.506 2.442 -1.557 1.00 0.00 C ATOM 433 O ALA A 32 8.767 3.551 -2.024 1.00 0.00 O ATOM 434 CB ALA A 32 10.461 1.492 -2.798 1.00 0.00 C ATOM 0 H ALA A 32 8.039 -0.011 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 32 10.120 1.353 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.944 2.467 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.220 0.710 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.886 1.427 -3.722 1.00 0.00 H new ATOM 440 N ILE A 33 7.340 2.152 -0.988 1.00 0.00 N ATOM 441 CA ILE A 33 6.277 3.143 -0.878 1.00 0.00 C ATOM 442 C ILE A 33 5.609 3.082 0.492 1.00 0.00 C ATOM 443 O ILE A 33 4.548 2.477 0.651 1.00 0.00 O ATOM 444 CB ILE A 33 5.206 2.942 -1.967 1.00 0.00 C ATOM 445 CG1 ILE A 33 5.863 2.792 -3.339 1.00 0.00 C ATOM 446 CG2 ILE A 33 4.226 4.108 -1.967 1.00 0.00 C ATOM 447 CD1 ILE A 33 4.933 2.238 -4.397 1.00 0.00 C ATOM 0 H ILE A 33 7.108 1.239 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 33 6.741 4.120 -1.011 1.00 0.00 H new ATOM 0 HB ILE A 33 4.654 2.028 -1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.232 3.765 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.729 2.136 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.475 3.952 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.737 4.172 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.764 5.035 -2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.466 2.159 -5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.583 1.251 -4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.079 2.905 -4.516 1.00 0.00 H new ATOM 459 N SER A 34 6.239 3.710 1.480 1.00 0.00 N ATOM 460 CA SER A 34 5.707 3.726 2.837 1.00 0.00 C ATOM 461 C SER A 34 4.327 4.376 2.874 1.00 0.00 C ATOM 462 O SER A 34 4.003 5.216 2.035 1.00 0.00 O ATOM 463 CB SER A 34 6.659 4.475 3.772 1.00 0.00 C ATOM 464 OG SER A 34 7.956 3.904 3.740 1.00 0.00 O ATOM 0 H SER A 34 7.118 4.214 1.366 1.00 0.00 H new ATOM 0 HA SER A 34 5.613 2.694 3.174 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.712 5.524 3.479 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.271 4.448 4.790 1.00 0.00 H new ATOM 0 HG SER A 34 8.547 4.400 4.344 1.00 0.00 H new ATOM 470 N VAL A 35 3.518 3.981 3.850 1.00 0.00 N ATOM 471 CA VAL A 35 2.172 4.524 3.996 1.00 0.00 C ATOM 472 C VAL A 35 2.207 5.905 4.642 1.00 0.00 C ATOM 473 O VAL A 35 3.142 6.238 5.370 1.00 0.00 O ATOM 474 CB VAL A 35 1.278 3.596 4.842 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.157 4.098 4.853 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.346 2.167 4.322 1.00 0.00 C ATOM 0 H VAL A 35 3.771 3.286 4.553 1.00 0.00 H new ATOM 0 HA VAL A 35 1.752 4.603 2.993 1.00 0.00 H new ATOM 0 HB VAL A 35 1.649 3.604 5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.772 3.429 5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.188 5.101 5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.541 4.124 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.708 1.527 4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.004 2.140 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.374 1.810 4.374 1.00 0.00 H new ATOM 486 N GLY A 36 1.181 6.705 4.370 1.00 0.00 N ATOM 487 CA GLY A 36 1.114 8.042 4.932 1.00 0.00 C ATOM 488 C GLY A 36 2.196 8.954 4.389 1.00 0.00 C ATOM 489 O GLY A 36 2.764 9.761 5.125 1.00 0.00 O ATOM 0 H GLY A 36 0.395 6.452 3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.137 8.475 4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.204 7.982 6.017 1.00 0.00 H new ATOM 493 N SER A 37 2.483 8.826 3.097 1.00 0.00 N ATOM 494 CA SER A 37 3.505 9.646 2.457 1.00 0.00 C ATOM 495 C SER A 37 3.003 10.202 1.128 1.00 0.00 C ATOM 496 O SER A 37 2.234 9.549 0.421 1.00 0.00 O ATOM 497 CB SER A 37 4.777 8.828 2.233 1.00 0.00 C ATOM 498 OG SER A 37 5.568 8.783 3.408 1.00 0.00 O ATOM 0 H SER A 37 2.023 8.163 2.474 1.00 0.00 H new ATOM 0 HA SER A 37 3.731 10.483 3.118 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.513 7.815 1.930 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.355 9.264 1.418 1.00 0.00 H new ATOM 0 HG SER A 37 6.375 8.253 3.239 1.00 0.00 H new ATOM 504 N ARG A 38 3.443 11.410 0.793 1.00 0.00 N ATOM 505 CA ARG A 38 3.038 12.053 -0.452 1.00 0.00 C ATOM 506 C ARG A 38 3.741 11.415 -1.647 1.00 0.00 C ATOM 507 O ARG A 38 4.931 11.108 -1.588 1.00 0.00 O ATOM 508 CB ARG A 38 3.349 13.550 -0.403 1.00 0.00 C ATOM 509 CG ARG A 38 2.309 14.362 0.351 1.00 0.00 C ATOM 510 CD ARG A 38 2.134 15.744 -0.254 1.00 0.00 C ATOM 511 NE ARG A 38 0.970 16.438 0.293 1.00 0.00 N ATOM 512 CZ ARG A 38 0.782 17.753 0.205 1.00 0.00 C ATOM 513 NH1 ARG A 38 1.675 18.519 -0.409 1.00 0.00 N ATOM 514 NH2 ARG A 38 -0.303 18.304 0.732 1.00 0.00 N ATOM 0 H ARG A 38 4.080 11.964 1.366 1.00 0.00 H new ATOM 0 HA ARG A 38 1.963 11.916 -0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.322 13.695 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.426 13.930 -1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.355 13.835 0.338 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.607 14.456 1.395 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.030 16.337 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.028 15.656 -1.335 1.00 0.00 H new ATOM 0 HE ARG A 38 0.260 15.882 0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.511 18.101 -0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.525 19.526 -0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.993 17.720 1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.447 19.311 0.665 1.00 0.00 H new ATOM 528 N CYS A 39 2.996 11.217 -2.730 1.00 0.00 N ATOM 529 CA CYS A 39 3.548 10.615 -3.938 1.00 0.00 C ATOM 530 C CYS A 39 2.874 11.177 -5.184 1.00 0.00 C ATOM 531 O CYS A 39 1.748 11.672 -5.123 1.00 0.00 O ATOM 532 CB CYS A 39 3.384 9.095 -3.896 1.00 0.00 C ATOM 533 SG CYS A 39 3.976 8.329 -2.369 1.00 0.00 S ATOM 0 H CYS A 39 2.009 11.465 -2.796 1.00 0.00 H new ATOM 0 HA CYS A 39 4.610 10.858 -3.982 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.330 8.851 -4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.920 8.659 -4.739 1.00 0.00 H new ATOM 0 HG CYS A 39 4.643 9.203 -1.676 1.00 0.00 H new ATOM 539 N GLU A 40 3.570 11.099 -6.313 1.00 0.00 N ATOM 540 CA GLU A 40 3.039 11.599 -7.576 1.00 0.00 C ATOM 541 C GLU A 40 2.548 10.451 -8.453 1.00 0.00 C ATOM 542 O GLU A 40 3.248 9.455 -8.636 1.00 0.00 O ATOM 543 CB GLU A 40 4.106 12.404 -8.319 1.00 0.00 C ATOM 544 CG GLU A 40 4.209 13.849 -7.858 1.00 0.00 C ATOM 545 CD GLU A 40 5.618 14.233 -7.447 1.00 0.00 C ATOM 546 OE1 GLU A 40 6.063 13.787 -6.368 1.00 0.00 O ATOM 547 OE2 GLU A 40 6.275 14.978 -8.203 1.00 0.00 O ATOM 0 H GLU A 40 4.504 10.694 -6.379 1.00 0.00 H new ATOM 0 HA GLU A 40 2.193 12.249 -7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.073 11.919 -8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.885 12.387 -9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.877 14.507 -8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.534 14.007 -7.017 1.00 0.00 H new ATOM 554 N VAL A 41 1.343 10.598 -8.992 1.00 0.00 N ATOM 555 CA VAL A 41 0.760 9.574 -9.850 1.00 0.00 C ATOM 556 C VAL A 41 0.753 10.019 -11.309 1.00 0.00 C ATOM 557 O VAL A 41 0.506 11.185 -11.612 1.00 0.00 O ATOM 558 CB VAL A 41 -0.680 9.235 -9.422 1.00 0.00 C ATOM 559 CG1 VAL A 41 -1.200 8.034 -10.198 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.745 8.980 -7.923 1.00 0.00 C ATOM 0 H VAL A 41 0.751 11.416 -8.850 1.00 0.00 H new ATOM 0 HA VAL A 41 1.381 8.684 -9.747 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.318 10.089 -9.650 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.219 7.810 -9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.192 8.259 -11.265 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.562 7.172 -10.004 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.770 8.742 -7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.094 8.144 -7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.418 9.871 -7.388 1.00 0.00 H new ATOM 570 N ARG A 42 1.026 9.079 -12.210 1.00 0.00 N ATOM 571 CA ARG A 42 1.051 9.374 -13.638 1.00 0.00 C ATOM 572 C ARG A 42 0.361 8.270 -14.434 1.00 0.00 C ATOM 573 O ARG A 42 0.910 7.183 -14.611 1.00 0.00 O ATOM 574 CB ARG A 42 2.494 9.539 -14.118 1.00 0.00 C ATOM 575 CG ARG A 42 2.623 10.364 -15.388 1.00 0.00 C ATOM 576 CD ARG A 42 4.040 10.320 -15.939 1.00 0.00 C ATOM 577 NE ARG A 42 4.094 10.717 -17.344 1.00 0.00 N ATOM 578 CZ ARG A 42 5.226 10.970 -17.999 1.00 0.00 C ATOM 579 NH1 ARG A 42 6.395 10.870 -17.380 1.00 0.00 N ATOM 580 NH2 ARG A 42 5.187 11.324 -19.276 1.00 0.00 N ATOM 0 H ARG A 42 1.233 8.108 -11.976 1.00 0.00 H new ATOM 0 HA ARG A 42 0.511 10.306 -13.802 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.079 10.010 -13.328 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.926 8.553 -14.290 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.928 9.989 -16.139 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.343 11.397 -15.182 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.678 10.980 -15.351 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.439 9.312 -15.832 1.00 0.00 H new ATOM 0 HE ARG A 42 3.214 10.806 -17.853 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.430 10.598 -16.398 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.259 11.065 -17.887 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.291 11.403 -19.756 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.053 11.518 -19.778 1.00 0.00 H new ATOM 594 N ALA A 43 -0.845 8.558 -14.912 1.00 0.00 N ATOM 595 CA ALA A 43 -1.610 7.590 -15.688 1.00 0.00 C ATOM 596 C ALA A 43 -2.424 8.283 -16.778 1.00 0.00 C ATOM 597 O ALA A 43 -2.612 9.499 -16.746 1.00 0.00 O ATOM 598 CB ALA A 43 -2.521 6.784 -14.774 1.00 0.00 C ATOM 0 H ALA A 43 -1.313 9.454 -14.775 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.909 6.910 -16.172 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.087 6.065 -15.366 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.919 6.253 -14.036 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.211 7.456 -14.263 1.00 0.00 H new ATOM 604 N PRO A 44 -2.922 7.514 -17.763 1.00 0.00 N ATOM 605 CA PRO A 44 -3.719 8.060 -18.865 1.00 0.00 C ATOM 606 C PRO A 44 -5.100 8.523 -18.408 1.00 0.00 C ATOM 607 O PRO A 44 -6.121 7.989 -18.842 1.00 0.00 O ATOM 608 CB PRO A 44 -3.842 6.882 -19.834 1.00 0.00 C ATOM 609 CG PRO A 44 -3.697 5.672 -18.978 1.00 0.00 C ATOM 610 CD PRO A 44 -2.745 6.053 -17.878 1.00 0.00 C ATOM 0 HA PRO A 44 -3.255 8.943 -19.305 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.803 6.891 -20.348 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.069 6.919 -20.602 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.660 5.364 -18.571 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.311 4.831 -19.554 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.986 5.544 -16.944 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.717 5.791 -18.128 1.00 0.00 H new ATOM 618 N ASP A 45 -5.122 9.520 -17.530 1.00 0.00 N ATOM 619 CA ASP A 45 -6.376 10.056 -17.013 1.00 0.00 C ATOM 620 C ASP A 45 -6.492 11.548 -17.308 1.00 0.00 C ATOM 621 O ASP A 45 -7.550 12.030 -17.712 1.00 0.00 O ATOM 622 CB ASP A 45 -6.478 9.812 -15.507 1.00 0.00 C ATOM 623 CG ASP A 45 -6.766 8.361 -15.174 1.00 0.00 C ATOM 624 OD1 ASP A 45 -7.746 7.811 -15.718 1.00 0.00 O ATOM 625 OD2 ASP A 45 -6.011 7.776 -14.369 1.00 0.00 O ATOM 0 H ASP A 45 -4.286 9.973 -17.161 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.196 9.540 -17.513 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.546 10.113 -15.029 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.266 10.440 -15.093 1.00 0.00 H new ATOM 630 N HIS A 46 -5.397 12.273 -17.105 1.00 0.00 N ATOM 631 CA HIS A 46 -5.376 13.711 -17.350 1.00 0.00 C ATOM 632 C HIS A 46 -3.949 14.248 -17.311 1.00 0.00 C ATOM 633 O HIS A 46 -3.420 14.707 -18.324 1.00 0.00 O ATOM 634 CB HIS A 46 -6.236 14.439 -16.316 1.00 0.00 C ATOM 635 CG HIS A 46 -6.704 15.787 -16.768 1.00 0.00 C ATOM 636 ND1 HIS A 46 -8.036 16.106 -16.929 1.00 0.00 N ATOM 637 CD2 HIS A 46 -6.009 16.902 -17.096 1.00 0.00 C ATOM 638 CE1 HIS A 46 -8.141 17.359 -17.336 1.00 0.00 C ATOM 639 NE2 HIS A 46 -6.926 17.864 -17.445 1.00 0.00 N ATOM 0 H HIS A 46 -4.513 11.889 -16.772 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.786 13.891 -18.344 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.104 13.823 -16.079 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.664 14.552 -15.395 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.935 17.014 -17.085 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.063 17.881 -17.544 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.704 18.815 -17.741 1.00 0.00 H new ATOM 648 N SER A 47 -3.331 14.188 -16.136 1.00 0.00 N ATOM 649 CA SER A 47 -1.966 14.669 -15.966 1.00 0.00 C ATOM 650 C SER A 47 -1.374 14.173 -14.649 1.00 0.00 C ATOM 651 O SER A 47 -1.953 13.315 -13.982 1.00 0.00 O ATOM 652 CB SER A 47 -1.932 16.199 -16.013 1.00 0.00 C ATOM 653 OG SER A 47 -1.110 16.659 -17.072 1.00 0.00 O ATOM 0 H SER A 47 -3.754 13.811 -15.288 1.00 0.00 H new ATOM 0 HA SER A 47 -1.363 14.275 -16.784 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.944 16.585 -16.140 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.560 16.587 -15.065 1.00 0.00 H new ATOM 0 HG SER A 47 -1.107 17.639 -17.081 1.00 0.00 H new ATOM 659 N LEU A 48 -0.220 14.719 -14.282 1.00 0.00 N ATOM 660 CA LEU A 48 0.450 14.332 -13.045 1.00 0.00 C ATOM 661 C LEU A 48 -0.212 14.994 -11.841 1.00 0.00 C ATOM 662 O LEU A 48 -0.557 16.175 -11.880 1.00 0.00 O ATOM 663 CB LEU A 48 1.933 14.709 -13.105 1.00 0.00 C ATOM 664 CG LEU A 48 2.903 13.529 -13.036 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.297 13.959 -13.466 1.00 0.00 C ATOM 666 CD2 LEU A 48 2.933 12.945 -11.631 1.00 0.00 C ATOM 0 H LEU A 48 0.271 15.431 -14.823 1.00 0.00 H new ATOM 0 HA LEU A 48 0.364 13.251 -12.933 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.116 15.257 -14.029 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.153 15.389 -12.282 1.00 0.00 H new ATOM 0 HG LEU A 48 2.555 12.756 -13.722 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.974 13.107 -13.411 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.264 14.330 -14.490 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.654 14.749 -12.806 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.628 12.106 -11.600 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.256 13.710 -10.926 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.936 12.599 -11.359 1.00 0.00 H new ATOM 678 N ARG A 49 -0.387 14.226 -10.770 1.00 0.00 N ATOM 679 CA ARG A 49 -1.008 14.737 -9.555 1.00 0.00 C ATOM 680 C ARG A 49 -0.317 14.181 -8.314 1.00 0.00 C ATOM 681 O ARG A 49 0.389 13.175 -8.383 1.00 0.00 O ATOM 682 CB ARG A 49 -2.495 14.381 -9.526 1.00 0.00 C ATOM 683 CG ARG A 49 -3.254 14.839 -10.761 1.00 0.00 C ATOM 684 CD ARG A 49 -3.419 16.350 -10.784 1.00 0.00 C ATOM 685 NE ARG A 49 -4.052 16.813 -12.017 1.00 0.00 N ATOM 686 CZ ARG A 49 -4.369 18.085 -12.255 1.00 0.00 C ATOM 687 NH1 ARG A 49 -4.113 19.020 -11.350 1.00 0.00 N ATOM 688 NH2 ARG A 49 -4.943 18.420 -13.403 1.00 0.00 N ATOM 0 H ARG A 49 -0.107 13.247 -10.720 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.901 15.822 -9.553 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.600 13.301 -9.425 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.950 14.829 -8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.723 14.516 -11.656 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.235 14.364 -10.784 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.019 16.662 -9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.443 16.823 -10.678 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.263 16.122 -12.737 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.671 18.767 -10.466 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.358 19.992 -11.538 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.141 17.704 -14.102 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.186 19.393 -13.587 1.00 0.00 H new ATOM 702 N ARG A 50 -0.526 14.842 -7.180 1.00 0.00 N ATOM 703 CA ARG A 50 0.077 14.413 -5.922 1.00 0.00 C ATOM 704 C ARG A 50 -0.994 13.979 -4.926 1.00 0.00 C ATOM 705 O ARG A 50 -2.056 14.594 -4.834 1.00 0.00 O ATOM 706 CB ARG A 50 0.917 15.543 -5.325 1.00 0.00 C ATOM 707 CG ARG A 50 1.930 16.127 -6.296 1.00 0.00 C ATOM 708 CD ARG A 50 3.235 16.477 -5.598 1.00 0.00 C ATOM 709 NE ARG A 50 3.197 17.811 -5.002 1.00 0.00 N ATOM 710 CZ ARG A 50 4.282 18.495 -4.646 1.00 0.00 C ATOM 711 NH1 ARG A 50 5.490 17.976 -4.825 1.00 0.00 N ATOM 712 NH2 ARG A 50 4.158 19.702 -4.111 1.00 0.00 N ATOM 0 H ARG A 50 -1.108 15.676 -7.106 1.00 0.00 H new ATOM 0 HA ARG A 50 0.723 13.559 -6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.253 16.337 -4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.442 15.169 -4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.124 15.411 -7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.515 17.020 -6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.440 15.739 -4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.055 16.423 -6.314 1.00 0.00 H new ATOM 0 HE ARG A 50 2.286 18.243 -4.850 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.591 17.048 -5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.318 18.505 -4.550 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.232 20.106 -3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.989 20.227 -3.838 1.00 0.00 H new ATOM 726 N GLY A 51 -0.706 12.915 -4.184 1.00 0.00 N ATOM 727 CA GLY A 51 -1.655 12.417 -3.204 1.00 0.00 C ATOM 728 C GLY A 51 -0.974 11.883 -1.959 1.00 0.00 C ATOM 729 O GLY A 51 -0.006 12.467 -1.472 1.00 0.00 O ATOM 0 H GLY A 51 0.166 12.389 -4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.339 13.218 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.256 11.627 -3.653 1.00 0.00 H new ATOM 733 N THR A 52 -1.482 10.768 -1.442 1.00 0.00 N ATOM 734 CA THR A 52 -0.918 10.154 -0.246 1.00 0.00 C ATOM 735 C THR A 52 -1.122 8.643 -0.261 1.00 0.00 C ATOM 736 O THR A 52 -2.143 8.150 -0.744 1.00 0.00 O ATOM 737 CB THR A 52 -1.553 10.754 1.010 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.868 12.120 0.808 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.666 10.661 2.232 1.00 0.00 C ATOM 0 H THR A 52 -2.283 10.272 -1.833 1.00 0.00 H new ATOM 0 HA THR A 52 0.153 10.357 -0.235 1.00 0.00 H new ATOM 0 HB THR A 52 -2.452 10.164 1.190 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.274 12.486 1.621 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.177 11.105 3.087 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.447 9.614 2.443 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.265 11.197 2.047 1.00 0.00 H new ATOM 747 N VAL A 53 -0.147 7.913 0.270 1.00 0.00 N ATOM 748 CA VAL A 53 -0.220 6.458 0.317 1.00 0.00 C ATOM 749 C VAL A 53 -1.190 5.992 1.397 1.00 0.00 C ATOM 750 O VAL A 53 -1.090 6.401 2.554 1.00 0.00 O ATOM 751 CB VAL A 53 1.162 5.833 0.582 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.104 4.320 0.428 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.206 6.431 -0.349 1.00 0.00 C ATOM 0 H VAL A 53 0.703 8.306 0.674 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.578 6.128 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 53 1.451 6.059 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.090 3.897 0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.388 3.909 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.792 4.069 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.176 5.977 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.924 6.238 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.267 7.507 -0.184 1.00 0.00 H new ATOM 763 N MET A 54 -2.128 5.132 1.013 1.00 0.00 N ATOM 764 CA MET A 54 -3.117 4.610 1.950 1.00 0.00 C ATOM 765 C MET A 54 -3.000 3.093 2.074 1.00 0.00 C ATOM 766 O MET A 54 -3.045 2.545 3.176 1.00 0.00 O ATOM 767 CB MET A 54 -4.530 4.986 1.500 1.00 0.00 C ATOM 768 CG MET A 54 -4.647 6.410 0.981 1.00 0.00 C ATOM 769 SD MET A 54 -4.566 6.500 -0.818 1.00 0.00 S ATOM 770 CE MET A 54 -6.286 6.246 -1.248 1.00 0.00 C ATOM 0 H MET A 54 -2.224 4.782 0.060 1.00 0.00 H new ATOM 0 HA MET A 54 -2.924 5.055 2.926 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.848 4.296 0.718 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.215 4.857 2.338 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.589 6.841 1.321 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.847 7.015 1.408 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.557 6.908 -2.071 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.436 5.210 -1.551 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.913 6.466 -0.384 1.00 0.00 H new ATOM 780 N TYR A 55 -2.848 2.423 0.937 1.00 0.00 N ATOM 781 CA TYR A 55 -2.723 0.970 0.917 1.00 0.00 C ATOM 782 C TYR A 55 -1.717 0.525 -0.139 1.00 0.00 C ATOM 783 O TYR A 55 -1.604 1.138 -1.200 1.00 0.00 O ATOM 784 CB TYR A 55 -4.083 0.324 0.648 1.00 0.00 C ATOM 785 CG TYR A 55 -4.169 -1.118 1.095 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.469 -2.115 0.426 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.948 -1.482 2.185 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.545 -3.433 0.831 1.00 0.00 C ATOM 789 CE2 TYR A 55 -5.028 -2.799 2.596 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.325 -3.771 1.915 1.00 0.00 C ATOM 791 OH TYR A 55 -4.402 -5.083 2.323 1.00 0.00 O ATOM 0 H TYR A 55 -2.808 2.863 0.017 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.363 0.648 1.894 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.856 0.900 1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.296 0.378 -0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.856 -1.855 -0.424 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.500 -0.724 2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.995 -4.196 0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.638 -3.066 3.446 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.993 -5.149 3.102 1.00 0.00 H new ATOM 801 N VAL A 56 -0.988 -0.546 0.159 1.00 0.00 N ATOM 802 CA VAL A 56 0.009 -1.073 -0.765 1.00 0.00 C ATOM 803 C VAL A 56 0.074 -2.594 -0.693 1.00 0.00 C ATOM 804 O VAL A 56 0.512 -3.161 0.308 1.00 0.00 O ATOM 805 CB VAL A 56 1.407 -0.497 -0.474 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.387 -0.898 -1.563 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.341 1.016 -0.334 1.00 0.00 C ATOM 0 H VAL A 56 -1.069 -1.065 1.033 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.298 -0.771 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 56 1.762 -0.911 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.369 -0.482 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.455 -1.985 -1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.040 -0.516 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.338 1.406 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.965 1.451 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.673 1.277 0.487 1.00 0.00 H new ATOM 817 N GLY A 57 -0.366 -3.251 -1.762 1.00 0.00 N ATOM 818 CA GLY A 57 -0.349 -4.702 -1.800 1.00 0.00 C ATOM 819 C GLY A 57 -1.147 -5.261 -2.960 1.00 0.00 C ATOM 820 O GLY A 57 -1.667 -4.508 -3.785 1.00 0.00 O ATOM 0 H GLY A 57 -0.734 -2.805 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.682 -5.048 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.752 -5.092 -0.865 1.00 0.00 H new ATOM 824 N LEU A 58 -1.246 -6.585 -3.027 1.00 0.00 N ATOM 825 CA LEU A 58 -1.987 -7.243 -4.095 1.00 0.00 C ATOM 826 C LEU A 58 -3.478 -6.938 -3.991 1.00 0.00 C ATOM 827 O LEU A 58 -3.945 -6.409 -2.983 1.00 0.00 O ATOM 828 CB LEU A 58 -1.759 -8.755 -4.046 1.00 0.00 C ATOM 829 CG LEU A 58 -0.293 -9.190 -4.037 1.00 0.00 C ATOM 830 CD1 LEU A 58 -0.148 -10.567 -3.408 1.00 0.00 C ATOM 831 CD2 LEU A 58 0.271 -9.184 -5.449 1.00 0.00 C ATOM 0 H LEU A 58 -0.822 -7.223 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.622 -6.858 -5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.245 -9.151 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.251 -9.209 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 58 0.274 -8.479 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.902 -10.859 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.514 -10.539 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.728 -11.291 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.315 -9.496 -5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.299 -9.873 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.202 -8.178 -5.864 1.00 0.00 H new ATOM 843 N THR A 59 -4.220 -7.275 -5.042 1.00 0.00 N ATOM 844 CA THR A 59 -5.658 -7.036 -5.068 1.00 0.00 C ATOM 845 C THR A 59 -6.398 -8.233 -5.656 1.00 0.00 C ATOM 846 O THR A 59 -5.785 -9.239 -6.015 1.00 0.00 O ATOM 847 CB THR A 59 -5.972 -5.779 -5.881 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.434 -5.879 -7.187 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.429 -4.512 -5.256 1.00 0.00 C ATOM 0 H THR A 59 -3.849 -7.714 -5.885 1.00 0.00 H new ATOM 0 HA THR A 59 -5.996 -6.891 -4.042 1.00 0.00 H new ATOM 0 HB THR A 59 -7.060 -5.715 -5.907 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.043 -5.019 -7.446 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.686 -3.658 -5.883 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.864 -4.380 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.345 -4.585 -5.169 1.00 0.00 H new ATOM 857 N ASP A 60 -7.719 -8.118 -5.751 1.00 0.00 N ATOM 858 CA ASP A 60 -8.543 -9.192 -6.295 1.00 0.00 C ATOM 859 C ASP A 60 -9.121 -8.800 -7.651 1.00 0.00 C ATOM 860 O ASP A 60 -9.321 -9.648 -8.521 1.00 0.00 O ATOM 861 CB ASP A 60 -9.674 -9.536 -5.325 1.00 0.00 C ATOM 862 CG ASP A 60 -10.053 -11.003 -5.376 1.00 0.00 C ATOM 863 OD1 ASP A 60 -10.520 -11.459 -6.442 1.00 0.00 O ATOM 864 OD2 ASP A 60 -9.880 -11.698 -4.353 1.00 0.00 O ATOM 0 H ASP A 60 -8.242 -7.292 -5.459 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.911 -10.069 -6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.370 -9.277 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.548 -8.929 -5.561 1.00 0.00 H new ATOM 869 N PHE A 61 -9.391 -7.510 -7.823 1.00 0.00 N ATOM 870 CA PHE A 61 -9.948 -7.006 -9.074 1.00 0.00 C ATOM 871 C PHE A 61 -8.936 -7.130 -10.208 1.00 0.00 C ATOM 872 O PHE A 61 -9.298 -7.429 -11.346 1.00 0.00 O ATOM 873 CB PHE A 61 -10.377 -5.546 -8.915 1.00 0.00 C ATOM 874 CG PHE A 61 -9.313 -4.669 -8.318 1.00 0.00 C ATOM 875 CD1 PHE A 61 -8.315 -4.129 -9.114 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.311 -4.384 -6.963 1.00 0.00 C ATOM 877 CE1 PHE A 61 -7.335 -3.322 -8.568 1.00 0.00 C ATOM 878 CE2 PHE A 61 -8.334 -3.577 -6.412 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.344 -3.045 -7.215 1.00 0.00 C ATOM 0 H PHE A 61 -9.233 -6.795 -7.113 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.822 -7.609 -9.323 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -10.657 -5.150 -9.891 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.266 -5.504 -8.286 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.303 -4.341 -10.173 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -10.082 -4.797 -6.329 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.562 -2.908 -9.199 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.344 -3.362 -5.354 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.579 -2.414 -6.786 1.00 0.00 H new ATOM 889 N LYS A 62 -7.667 -6.898 -9.891 1.00 0.00 N ATOM 890 CA LYS A 62 -6.603 -6.985 -10.885 1.00 0.00 C ATOM 891 C LYS A 62 -5.394 -7.732 -10.324 1.00 0.00 C ATOM 892 O LYS A 62 -5.075 -7.612 -9.141 1.00 0.00 O ATOM 893 CB LYS A 62 -6.186 -5.585 -11.339 1.00 0.00 C ATOM 894 CG LYS A 62 -6.961 -5.081 -12.545 1.00 0.00 C ATOM 895 CD LYS A 62 -6.267 -5.444 -13.847 1.00 0.00 C ATOM 896 CE LYS A 62 -6.580 -4.440 -14.945 1.00 0.00 C ATOM 897 NZ LYS A 62 -5.793 -3.185 -14.790 1.00 0.00 N ATOM 0 H LYS A 62 -7.350 -6.648 -8.954 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.984 -7.539 -11.743 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.323 -4.888 -10.512 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.122 -5.591 -11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.965 -5.505 -12.536 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.072 -3.999 -12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.190 -5.485 -13.687 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.581 -6.439 -14.162 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.365 -4.886 -15.916 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.644 -4.205 -14.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.281 -2.407 -15.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.700 -2.956 -13.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.848 -3.315 -15.204 1.00 0.00 H new ATOM 911 N PRO A 63 -4.703 -8.518 -11.169 1.00 0.00 N ATOM 912 CA PRO A 63 -3.527 -9.285 -10.749 1.00 0.00 C ATOM 913 C PRO A 63 -2.300 -8.402 -10.552 1.00 0.00 C ATOM 914 O PRO A 63 -2.054 -7.480 -11.330 1.00 0.00 O ATOM 915 CB PRO A 63 -3.308 -10.252 -11.912 1.00 0.00 C ATOM 916 CG PRO A 63 -3.856 -9.541 -13.100 1.00 0.00 C ATOM 917 CD PRO A 63 -5.015 -8.721 -12.598 1.00 0.00 C ATOM 0 HA PRO A 63 -3.679 -9.777 -9.788 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.251 -10.483 -12.041 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.823 -11.198 -11.744 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.098 -8.905 -13.558 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.181 -10.249 -13.862 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.095 -7.773 -13.130 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.963 -9.243 -12.731 1.00 0.00 H new ATOM 925 N GLY A 64 -1.533 -8.688 -9.505 1.00 0.00 N ATOM 926 CA GLY A 64 -0.340 -7.910 -9.224 1.00 0.00 C ATOM 927 C GLY A 64 -0.516 -6.987 -8.034 1.00 0.00 C ATOM 928 O GLY A 64 -1.597 -6.913 -7.452 1.00 0.00 O ATOM 0 H GLY A 64 -1.716 -9.445 -8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.494 -8.586 -9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.080 -7.319 -10.102 1.00 0.00 H new ATOM 932 N TYR A 65 0.551 -6.281 -7.674 1.00 0.00 N ATOM 933 CA TYR A 65 0.511 -5.358 -6.545 1.00 0.00 C ATOM 934 C TYR A 65 -0.122 -4.029 -6.950 1.00 0.00 C ATOM 935 O TYR A 65 -0.098 -3.650 -8.121 1.00 0.00 O ATOM 936 CB TYR A 65 1.921 -5.118 -6.005 1.00 0.00 C ATOM 937 CG TYR A 65 2.505 -6.313 -5.284 1.00 0.00 C ATOM 938 CD1 TYR A 65 2.118 -6.623 -3.986 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.446 -7.129 -5.900 1.00 0.00 C ATOM 940 CE1 TYR A 65 2.649 -7.713 -3.324 1.00 0.00 C ATOM 941 CE2 TYR A 65 3.981 -8.221 -5.244 1.00 0.00 C ATOM 942 CZ TYR A 65 3.580 -8.509 -3.957 1.00 0.00 C ATOM 943 OH TYR A 65 4.113 -9.595 -3.301 1.00 0.00 O ATOM 0 H TYR A 65 1.453 -6.330 -8.147 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.100 -5.808 -5.762 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.577 -4.847 -6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.900 -4.268 -5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.390 -6.001 -3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.764 -6.906 -6.908 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.336 -7.941 -2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.710 -8.846 -5.738 1.00 0.00 H new ATOM 0 HH TYR A 65 4.753 -10.050 -3.888 1.00 0.00 H new ATOM 953 N TRP A 66 -0.687 -3.328 -5.974 1.00 0.00 N ATOM 954 CA TRP A 66 -1.327 -2.042 -6.226 1.00 0.00 C ATOM 955 C TRP A 66 -1.007 -1.048 -5.115 1.00 0.00 C ATOM 956 O TRP A 66 -0.791 -1.435 -3.966 1.00 0.00 O ATOM 957 CB TRP A 66 -2.842 -2.216 -6.348 1.00 0.00 C ATOM 958 CG TRP A 66 -3.278 -2.702 -7.697 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.402 -4.001 -8.100 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.648 -1.896 -8.821 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.826 -4.051 -9.405 1.00 0.00 N ATOM 962 CE2 TRP A 66 -3.984 -2.772 -9.870 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.727 -0.517 -9.042 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.394 -2.313 -11.120 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.134 -0.065 -10.283 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.463 -0.960 -11.309 1.00 0.00 C ATOM 0 H TRP A 66 -0.715 -3.629 -5.000 1.00 0.00 H new ATOM 0 HA TRP A 66 -0.937 -1.649 -7.165 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.182 -2.921 -5.589 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.328 -1.263 -6.139 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.197 -4.863 -7.482 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.996 -4.902 -9.941 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.475 0.181 -8.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.648 -3.002 -11.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.200 0.998 -10.465 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -4.777 -0.574 -12.268 1.00 0.00 H new ATOM 977 N VAL A 67 -0.977 0.235 -5.462 1.00 0.00 N ATOM 978 CA VAL A 67 -0.684 1.283 -4.492 1.00 0.00 C ATOM 979 C VAL A 67 -1.769 2.354 -4.499 1.00 0.00 C ATOM 980 O VAL A 67 -1.991 3.021 -5.511 1.00 0.00 O ATOM 981 CB VAL A 67 0.679 1.944 -4.773 1.00 0.00 C ATOM 982 CG1 VAL A 67 1.045 2.914 -3.659 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.761 0.888 -4.946 1.00 0.00 C ATOM 0 H VAL A 67 -1.152 0.573 -6.408 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.652 0.808 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 67 0.601 2.508 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.011 3.370 -3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.284 3.691 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.103 2.376 -2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.716 1.375 -5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.838 0.294 -4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.505 0.238 -5.783 1.00 0.00 H new ATOM 993 N GLY A 68 -2.442 2.515 -3.365 1.00 0.00 N ATOM 994 CA GLY A 68 -3.496 3.508 -3.261 1.00 0.00 C ATOM 995 C GLY A 68 -2.954 4.907 -3.046 1.00 0.00 C ATOM 996 O GLY A 68 -2.107 5.125 -2.181 1.00 0.00 O ATOM 0 H GLY A 68 -2.277 1.975 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.099 3.491 -4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.157 3.247 -2.435 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.444 5.857 -3.836 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.003 7.242 -3.727 1.00 0.00 C ATOM 1002 C VAL A 69 -4.193 8.195 -3.660 1.00 0.00 C ATOM 1003 O VAL A 69 -5.010 8.250 -4.578 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.109 7.642 -4.915 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.495 9.014 -4.686 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.026 6.598 -5.143 1.00 0.00 C ATOM 0 H VAL A 69 -4.146 5.693 -4.558 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.427 7.318 -2.805 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.729 7.693 -5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.867 9.278 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.288 9.754 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.889 8.995 -3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.404 6.897 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.409 6.513 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.489 5.635 -5.357 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.283 8.943 -2.565 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.372 9.894 -2.375 1.00 0.00 C ATOM 1018 C ARG A 70 -4.895 11.322 -2.619 1.00 0.00 C ATOM 1019 O ARG A 70 -4.009 11.818 -1.925 1.00 0.00 O ATOM 1020 CB ARG A 70 -5.946 9.768 -0.963 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.108 10.711 -0.692 1.00 0.00 C ATOM 1022 CD ARG A 70 -6.861 11.566 0.540 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.046 12.740 0.237 1.00 0.00 N ATOM 1024 CZ ARG A 70 -5.395 13.450 1.157 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -5.463 13.108 2.438 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -4.676 14.503 0.795 1.00 0.00 N ATOM 0 H ARG A 70 -3.614 8.909 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.154 9.663 -3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.277 8.742 -0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.155 9.963 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.263 11.355 -1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.022 10.133 -0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.816 11.886 0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.364 10.967 1.303 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.971 13.033 -0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.015 12.299 2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.963 13.655 3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.621 14.770 -0.188 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.177 15.047 1.499 1.00 0.00 H new ATOM 1040 N TYR A 71 -5.489 11.978 -3.611 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.126 13.350 -3.948 1.00 0.00 C ATOM 1042 C TYR A 71 -5.736 14.335 -2.958 1.00 0.00 C ATOM 1043 O TYR A 71 -6.541 13.957 -2.106 1.00 0.00 O ATOM 1044 CB TYR A 71 -5.584 13.686 -5.368 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.197 12.644 -6.392 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -3.868 12.452 -6.750 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.161 11.852 -7.003 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.511 11.502 -7.686 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -5.811 10.898 -7.941 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.485 10.728 -8.278 1.00 0.00 C ATOM 1051 OH TYR A 71 -4.133 9.779 -9.211 1.00 0.00 O ATOM 0 H TYR A 71 -6.224 11.581 -4.196 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.041 13.435 -3.893 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.668 13.803 -5.373 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.158 14.646 -5.660 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.101 13.056 -6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.201 11.983 -6.741 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.473 11.366 -7.953 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.572 10.290 -8.407 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.788 9.778 -9.940 1.00 0.00 H new ATOM 1061 N ASP A 72 -5.347 15.601 -3.074 1.00 0.00 N ATOM 1062 CA ASP A 72 -5.856 16.641 -2.190 1.00 0.00 C ATOM 1063 C ASP A 72 -7.221 17.134 -2.659 1.00 0.00 C ATOM 1064 O ASP A 72 -8.186 17.142 -1.893 1.00 0.00 O ATOM 1065 CB ASP A 72 -4.872 17.812 -2.126 1.00 0.00 C ATOM 1066 CG ASP A 72 -3.466 17.366 -1.775 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -2.900 16.543 -2.525 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -2.931 17.841 -0.751 1.00 0.00 O ATOM 0 H ASP A 72 -4.680 15.930 -3.772 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.967 16.214 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.858 18.325 -3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.217 18.533 -1.385 1.00 0.00 H new ATOM 1073 N GLU A 73 -7.296 17.542 -3.921 1.00 0.00 N ATOM 1074 CA GLU A 73 -8.543 18.036 -4.492 1.00 0.00 C ATOM 1075 C GLU A 73 -9.318 16.905 -5.165 1.00 0.00 C ATOM 1076 O GLU A 73 -8.761 15.846 -5.451 1.00 0.00 O ATOM 1077 CB GLU A 73 -8.261 19.148 -5.503 1.00 0.00 C ATOM 1078 CG GLU A 73 -7.321 20.221 -4.979 1.00 0.00 C ATOM 1079 CD GLU A 73 -6.963 21.249 -6.035 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -6.956 20.893 -7.232 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -6.690 22.411 -5.665 1.00 0.00 O ATOM 0 H GLU A 73 -6.508 17.540 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.151 18.438 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.832 18.709 -6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.204 19.612 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.786 20.724 -4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.409 19.751 -4.610 1.00 0.00 H new ATOM 1088 N PRO A 74 -10.620 17.117 -5.428 1.00 0.00 N ATOM 1089 CA PRO A 74 -11.472 16.110 -6.071 1.00 0.00 C ATOM 1090 C PRO A 74 -10.932 15.680 -7.431 1.00 0.00 C ATOM 1091 O PRO A 74 -11.349 16.196 -8.468 1.00 0.00 O ATOM 1092 CB PRO A 74 -12.819 16.823 -6.231 1.00 0.00 C ATOM 1093 CG PRO A 74 -12.797 17.921 -5.225 1.00 0.00 C ATOM 1094 CD PRO A 74 -11.363 18.352 -5.118 1.00 0.00 C ATOM 0 HA PRO A 74 -11.531 15.194 -5.483 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.940 17.215 -7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.650 16.141 -6.052 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.432 18.750 -5.538 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.174 17.576 -4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.128 19.151 -5.821 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.127 18.725 -4.121 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.003 14.729 -7.418 1.00 0.00 N ATOM 1103 CA LEU A 75 -9.405 14.228 -8.650 1.00 0.00 C ATOM 1104 C LEU A 75 -9.274 12.709 -8.613 1.00 0.00 C ATOM 1105 O LEU A 75 -8.362 12.140 -9.214 1.00 0.00 O ATOM 1106 CB LEU A 75 -8.032 14.865 -8.874 1.00 0.00 C ATOM 1107 CG LEU A 75 -7.973 16.376 -8.641 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -6.530 16.842 -8.528 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -8.689 17.115 -9.761 1.00 0.00 C ATOM 0 H LEU A 75 -9.648 14.290 -6.568 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.061 14.498 -9.477 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.312 14.382 -8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.715 14.658 -9.896 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.480 16.601 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.507 17.919 -8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.049 16.336 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.998 16.605 -9.449 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.638 18.189 -9.580 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.211 16.884 -10.713 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.733 16.802 -9.794 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.190 12.058 -7.902 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.156 10.611 -7.799 1.00 0.00 C ATOM 1123 C GLY A 76 -11.220 9.945 -8.650 1.00 0.00 C ATOM 1124 O GLY A 76 -11.741 10.548 -9.588 1.00 0.00 O ATOM 0 H GLY A 76 -10.954 12.506 -7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.173 10.251 -8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.293 10.320 -6.757 1.00 0.00 H new ATOM 1128 N LYS A 77 -11.541 8.697 -8.323 1.00 0.00 N ATOM 1129 CA LYS A 77 -12.548 7.949 -9.065 1.00 0.00 C ATOM 1130 C LYS A 77 -13.266 6.955 -8.156 1.00 0.00 C ATOM 1131 O LYS A 77 -14.494 6.865 -8.167 1.00 0.00 O ATOM 1132 CB LYS A 77 -11.903 7.208 -10.238 1.00 0.00 C ATOM 1133 CG LYS A 77 -11.504 8.121 -11.387 1.00 0.00 C ATOM 1134 CD LYS A 77 -12.719 8.613 -12.156 1.00 0.00 C ATOM 1135 CE LYS A 77 -12.321 9.539 -13.293 1.00 0.00 C ATOM 1136 NZ LYS A 77 -11.269 8.937 -14.157 1.00 0.00 N ATOM 0 H LYS A 77 -11.118 8.183 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.280 8.659 -9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.019 6.679 -9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.598 6.454 -10.608 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.948 8.974 -10.999 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.836 7.586 -12.063 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.268 7.760 -12.555 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.393 9.137 -11.478 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.198 9.770 -13.897 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.959 10.482 -12.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.413 9.240 -15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.332 9.250 -13.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.326 7.900 -14.102 1.00 0.00 H new ATOM 1150 N ASN A 78 -12.492 6.212 -7.371 1.00 0.00 N ATOM 1151 CA ASN A 78 -13.055 5.225 -6.457 1.00 0.00 C ATOM 1152 C ASN A 78 -13.235 5.813 -5.062 1.00 0.00 C ATOM 1153 O ASN A 78 -12.794 6.929 -4.787 1.00 0.00 O ATOM 1154 CB ASN A 78 -12.154 3.990 -6.391 1.00 0.00 C ATOM 1155 CG ASN A 78 -12.050 3.278 -7.724 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -12.624 2.207 -7.916 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -11.313 3.872 -8.656 1.00 0.00 N ATOM 0 H ASN A 78 -11.474 6.275 -7.350 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.034 4.933 -6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.158 4.288 -6.063 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.543 3.299 -5.643 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.206 3.440 -9.574 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.854 4.760 -8.454 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.885 5.055 -4.186 1.00 0.00 N ATOM 1165 CA ASP A 79 -14.124 5.500 -2.818 1.00 0.00 C ATOM 1166 C ASP A 79 -13.107 4.884 -1.861 1.00 0.00 C ATOM 1167 O ASP A 79 -12.566 5.567 -0.991 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.542 5.129 -2.381 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.972 5.868 -1.128 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -16.477 7.004 -1.254 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -15.805 5.313 -0.022 1.00 0.00 O ATOM 0 H ASP A 79 -14.256 4.129 -4.399 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.014 6.584 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.239 5.353 -3.189 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.595 4.055 -2.203 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.853 3.590 -2.028 1.00 0.00 N ATOM 1177 CA GLY A 80 -11.902 2.905 -1.173 1.00 0.00 C ATOM 1178 C GLY A 80 -12.115 1.404 -1.158 1.00 0.00 C ATOM 1179 O GLY A 80 -11.172 0.639 -0.959 1.00 0.00 O ATOM 0 H GLY A 80 -13.289 3.004 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.890 3.122 -1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.987 3.291 -0.157 1.00 0.00 H new ATOM 1183 N SER A 81 -13.357 0.982 -1.370 1.00 0.00 N ATOM 1184 CA SER A 81 -13.691 -0.437 -1.379 1.00 0.00 C ATOM 1185 C SER A 81 -13.872 -0.942 -2.807 1.00 0.00 C ATOM 1186 O SER A 81 -14.588 -0.338 -3.605 1.00 0.00 O ATOM 1187 CB SER A 81 -14.967 -0.688 -0.573 1.00 0.00 C ATOM 1188 OG SER A 81 -14.906 -0.049 0.691 1.00 0.00 O ATOM 0 H SER A 81 -14.149 1.603 -1.538 1.00 0.00 H new ATOM 0 HA SER A 81 -12.866 -0.982 -0.920 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.830 -0.321 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.109 -1.760 -0.436 1.00 0.00 H new ATOM 0 HG SER A 81 -15.734 -0.223 1.186 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.216 -2.054 -3.123 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.305 -2.641 -4.455 1.00 0.00 C ATOM 1196 C VAL A 82 -13.519 -4.149 -4.379 1.00 0.00 C ATOM 1197 O VAL A 82 -12.762 -4.862 -3.720 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.036 -2.355 -5.280 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.223 -2.800 -6.722 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -11.677 -0.879 -5.212 1.00 0.00 C ATOM 0 H VAL A 82 -12.617 -2.566 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.162 -2.180 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.212 -2.926 -4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.316 -2.589 -7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.427 -3.870 -6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.060 -2.260 -7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.778 -0.696 -5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.500 -0.286 -5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.496 -0.596 -4.175 1.00 0.00 H new ATOM 1210 N ASN A 83 -14.558 -4.627 -5.055 1.00 0.00 N ATOM 1211 CA ASN A 83 -14.875 -6.052 -5.064 1.00 0.00 C ATOM 1212 C ASN A 83 -15.143 -6.559 -3.652 1.00 0.00 C ATOM 1213 O ASN A 83 -14.925 -7.733 -3.352 1.00 0.00 O ATOM 1214 CB ASN A 83 -13.730 -6.845 -5.698 1.00 0.00 C ATOM 1215 CG ASN A 83 -13.892 -6.991 -7.198 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -14.324 -5.919 -7.853 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -13.633 -8.053 -7.762 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.195 -4.050 -5.604 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.778 -6.195 -5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -12.784 -6.347 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -13.680 -7.834 -5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.304 -8.851 -7.219 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.748 -8.135 -8.772 1.00 0.00 H new ATOM 1224 N GLY A 84 -15.617 -5.667 -2.790 1.00 0.00 N ATOM 1225 CA GLY A 84 -15.909 -6.043 -1.418 1.00 0.00 C ATOM 1226 C GLY A 84 -14.759 -5.746 -0.475 1.00 0.00 C ATOM 1227 O GLY A 84 -14.972 -5.480 0.709 1.00 0.00 O ATOM 0 H GLY A 84 -15.805 -4.690 -3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.798 -5.510 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.141 -7.107 -1.378 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.539 -5.793 -0.997 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.352 -5.530 -0.192 1.00 0.00 C ATOM 1233 C LYS A 85 -12.149 -4.031 0.009 1.00 0.00 C ATOM 1234 O LYS A 85 -12.417 -3.233 -0.889 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.114 -6.139 -0.853 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.119 -6.721 0.137 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.047 -7.540 -0.566 1.00 0.00 C ATOM 1238 CE LYS A 85 -8.744 -8.824 0.189 1.00 0.00 C ATOM 1239 NZ LYS A 85 -9.513 -9.979 -0.351 1.00 0.00 N ATOM 0 H LYS A 85 -13.346 -6.011 -1.975 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.499 -5.992 0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.429 -6.923 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.616 -5.373 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.651 -5.914 0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.645 -7.349 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.375 -7.780 -1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.137 -6.947 -0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.677 -9.038 0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.983 -8.690 1.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.279 -10.836 0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.532 -9.786 -0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.266 -10.123 -1.351 1.00 0.00 H new ATOM 1253 N ARG A 86 -11.674 -3.656 1.193 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.434 -2.255 1.511 1.00 0.00 C ATOM 1255 C ARG A 86 -9.941 -1.975 1.645 1.00 0.00 C ATOM 1256 O ARG A 86 -9.168 -2.850 2.037 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.154 -1.874 2.807 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.033 -0.400 3.157 1.00 0.00 C ATOM 1259 CD ARG A 86 -13.306 0.126 3.801 1.00 0.00 C ATOM 1260 NE ARG A 86 -13.267 0.020 5.257 1.00 0.00 N ATOM 1261 CZ ARG A 86 -14.193 0.538 6.062 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -15.229 1.195 5.558 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -14.082 0.395 7.376 1.00 0.00 N ATOM 0 H ARG A 86 -11.448 -4.304 1.947 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.827 -1.651 0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.209 -2.132 2.717 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.749 -2.468 3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.193 -0.254 3.836 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.817 0.173 2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.452 1.168 3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.162 -0.431 3.420 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.486 -0.479 5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.320 1.306 4.548 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.935 1.589 6.180 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.288 -0.111 7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.790 0.791 7.994 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.539 -0.752 1.314 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.137 -0.358 1.398 1.00 0.00 C ATOM 1279 C TYR A 87 -7.972 0.900 2.243 1.00 0.00 C ATOM 1280 O TYR A 87 -7.080 0.980 3.086 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.569 -0.123 -0.004 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.711 -1.315 -0.923 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -8.958 -1.713 -1.388 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.598 -2.042 -1.326 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.092 -2.802 -2.229 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.724 -3.131 -2.166 1.00 0.00 C ATOM 1287 CZ TYR A 87 -7.973 -3.507 -2.615 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.102 -4.592 -3.452 1.00 0.00 O ATOM 0 H TYR A 87 -10.164 -0.016 0.985 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.586 -1.168 1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.074 0.733 -0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.514 0.137 0.080 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.837 -1.163 -1.088 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.618 -1.751 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.069 -3.099 -2.582 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.849 -3.686 -2.470 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.992 -4.584 -3.863 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.839 1.881 2.011 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.789 3.137 2.751 1.00 0.00 C ATOM 1300 C PHE A 88 -10.190 3.702 2.961 1.00 0.00 C ATOM 1301 O PHE A 88 -11.183 3.088 2.571 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.921 4.155 2.010 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.356 4.395 0.593 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -7.934 3.555 -0.426 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -9.186 5.459 0.280 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -8.333 3.773 -1.731 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -9.589 5.681 -1.023 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.161 4.838 -2.031 1.00 0.00 C ATOM 0 H PHE A 88 -9.584 1.830 1.317 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.348 2.937 3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.940 5.100 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.888 3.808 2.011 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.287 2.721 -0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.522 6.122 1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -7.998 3.111 -2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.238 6.513 -1.254 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.473 5.011 -3.050 1.00 0.00 H new ATOM 1318 N GLU A 89 -10.261 4.878 3.577 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.541 5.527 3.839 1.00 0.00 C ATOM 1320 C GLU A 89 -11.542 6.956 3.305 1.00 0.00 C ATOM 1321 O GLU A 89 -10.998 7.865 3.933 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.837 5.531 5.339 1.00 0.00 C ATOM 1323 CG GLU A 89 -12.598 4.302 5.811 1.00 0.00 C ATOM 1324 CD GLU A 89 -12.474 4.079 7.306 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -11.351 3.797 7.773 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -13.502 4.187 8.009 1.00 0.00 O ATOM 0 H GLU A 89 -9.448 5.400 3.904 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.319 4.964 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.897 5.599 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.414 6.422 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.651 4.408 5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.225 3.424 5.284 1.00 0.00 H new ATOM 1333 N CYS A 90 -12.157 7.147 2.142 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.229 8.466 1.523 1.00 0.00 C ATOM 1335 C CYS A 90 -13.452 8.576 0.619 1.00 0.00 C ATOM 1336 O CYS A 90 -14.128 7.583 0.348 1.00 0.00 O ATOM 1337 CB CYS A 90 -10.959 8.744 0.718 1.00 0.00 C ATOM 1338 SG CYS A 90 -9.523 9.172 1.730 1.00 0.00 S ATOM 0 H CYS A 90 -12.612 6.406 1.610 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.318 9.208 2.316 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.720 7.864 0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.155 9.559 0.021 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.711 8.757 2.948 1.00 0.00 H new ATOM 1344 N GLN A 91 -13.732 9.790 0.155 1.00 0.00 N ATOM 1345 CA GLN A 91 -14.873 10.030 -0.719 1.00 0.00 C ATOM 1346 C GLN A 91 -14.715 9.280 -2.038 1.00 0.00 C ATOM 1347 O GLN A 91 -13.651 8.732 -2.327 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.032 11.529 -0.984 1.00 0.00 C ATOM 1349 CG GLN A 91 -16.116 12.182 -0.142 1.00 0.00 C ATOM 1350 CD GLN A 91 -17.168 12.883 -0.981 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -18.034 12.240 -1.573 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -17.095 14.208 -1.037 1.00 0.00 N ATOM 0 H GLN A 91 -13.184 10.623 0.370 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.768 9.661 -0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -14.082 12.027 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.261 11.681 -2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -16.596 11.423 0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -15.659 12.903 0.536 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -16.360 14.700 -0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -17.774 14.733 -1.587 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.779 9.260 -2.833 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.759 8.578 -4.121 1.00 0.00 C ATOM 1363 C ALA A 92 -15.349 9.529 -5.241 1.00 0.00 C ATOM 1364 O ALA A 92 -16.006 9.601 -6.280 1.00 0.00 O ATOM 1365 CB ALA A 92 -17.121 7.967 -4.414 1.00 0.00 C ATOM 0 H ALA A 92 -16.667 9.709 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.018 7.780 -4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -17.093 7.461 -5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.373 7.248 -3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.875 8.754 -4.439 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.260 10.257 -5.021 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.761 11.204 -6.010 1.00 0.00 C ATOM 1373 C LYS A 93 -12.461 11.850 -5.539 1.00 0.00 C ATOM 1374 O LYS A 93 -12.228 13.036 -5.766 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.808 12.284 -6.288 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.430 12.866 -5.029 1.00 0.00 C ATOM 1377 CD LYS A 93 -15.612 14.371 -5.140 1.00 0.00 C ATOM 1378 CE LYS A 93 -16.875 14.833 -4.432 1.00 0.00 C ATOM 1379 NZ LYS A 93 -16.703 16.174 -3.807 1.00 0.00 N ATOM 0 H LYS A 93 -13.706 10.209 -4.166 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.561 10.656 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -14.345 13.088 -6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -15.596 11.862 -6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -16.396 12.394 -4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -14.798 12.638 -4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -14.747 14.876 -4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.658 14.657 -6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.699 14.868 -5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.147 14.108 -3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -17.436 16.316 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -15.763 16.233 -3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -16.790 16.911 -4.536 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.619 11.060 -4.880 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.343 11.555 -4.376 1.00 0.00 C ATOM 1395 C TYR A 94 -9.266 10.479 -4.468 1.00 0.00 C ATOM 1396 O TYR A 94 -8.162 10.732 -4.949 1.00 0.00 O ATOM 1397 CB TYR A 94 -10.491 12.022 -2.927 1.00 0.00 C ATOM 1398 CG TYR A 94 -11.363 13.248 -2.769 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -12.745 13.134 -2.684 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -10.804 14.518 -2.705 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -13.545 14.252 -2.540 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -11.597 15.640 -2.561 1.00 0.00 C ATOM 1403 CZ TYR A 94 -12.967 15.501 -2.479 1.00 0.00 C ATOM 1404 OH TYR A 94 -13.760 16.616 -2.335 1.00 0.00 O ATOM 0 H TYR A 94 -11.797 10.075 -4.683 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.040 12.400 -4.994 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -10.911 11.210 -2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.502 12.235 -2.521 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -13.202 12.156 -2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.732 14.630 -2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -14.618 14.147 -2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.147 16.621 -2.513 1.00 0.00 H new ATOM 0 HH TYR A 94 -13.196 17.399 -2.164 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.596 9.279 -4.003 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.646 8.183 -4.041 1.00 0.00 C ATOM 1416 C GLY A 95 -8.527 7.565 -5.420 1.00 0.00 C ATOM 1417 O GLY A 95 -9.532 7.297 -6.077 1.00 0.00 O ATOM 0 H GLY A 95 -10.504 9.046 -3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.668 8.543 -3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.951 7.417 -3.328 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.293 7.339 -5.859 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.044 6.749 -7.169 1.00 0.00 C ATOM 1423 C ALA A 96 -6.133 5.531 -7.055 1.00 0.00 C ATOM 1424 O ALA A 96 -5.097 5.578 -6.391 1.00 0.00 O ATOM 1425 CB ALA A 96 -6.434 7.781 -8.106 1.00 0.00 C ATOM 0 H ALA A 96 -6.450 7.555 -5.327 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.998 6.421 -7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.254 7.326 -9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.120 8.620 -8.219 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.491 8.137 -7.691 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.525 4.442 -7.707 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.743 3.212 -7.677 1.00 0.00 C ATOM 1433 C PHE A 97 -4.768 3.156 -8.848 1.00 0.00 C ATOM 1434 O PHE A 97 -5.172 3.208 -10.010 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.668 1.993 -7.711 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.296 1.681 -6.382 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.510 1.497 -5.257 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.672 1.573 -6.261 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -7.084 1.211 -4.033 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.253 1.286 -5.040 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.457 1.105 -3.925 1.00 0.00 C ATOM 0 H PHE A 97 -7.379 4.386 -8.262 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.170 3.200 -6.750 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.455 2.165 -8.445 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.101 1.126 -8.049 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.436 1.578 -5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.297 1.715 -7.130 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.460 1.071 -3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.327 1.203 -4.958 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.908 0.881 -2.970 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.481 3.050 -8.534 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.446 2.988 -9.560 1.00 0.00 C ATOM 1453 C VAL A 98 -1.397 1.936 -9.218 1.00 0.00 C ATOM 1454 O VAL A 98 -1.486 1.268 -8.187 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.751 4.351 -9.741 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.649 5.309 -10.509 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.361 4.937 -8.393 1.00 0.00 C ATOM 0 H VAL A 98 -3.130 3.005 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.940 2.715 -10.492 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.840 4.200 -10.320 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.142 6.267 -10.628 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.871 4.892 -11.491 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.579 5.456 -9.959 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.872 5.899 -8.543 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.254 5.075 -7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.677 4.257 -7.885 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.404 1.792 -10.089 1.00 0.00 N ATOM 1468 CA LYS A 99 0.661 0.819 -9.879 1.00 0.00 C ATOM 1469 C LYS A 99 1.941 1.503 -9.401 1.00 0.00 C ATOM 1470 O LYS A 99 2.193 2.662 -9.723 1.00 0.00 O ATOM 1471 CB LYS A 99 0.936 0.046 -11.171 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.297 -0.632 -11.746 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.784 -1.757 -10.848 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.192 -3.097 -11.258 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.214 -3.992 -11.869 1.00 0.00 N ATOM 0 H LYS A 99 -0.315 2.337 -10.947 1.00 0.00 H new ATOM 0 HA LYS A 99 0.333 0.122 -9.108 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.345 0.730 -11.915 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.699 -0.708 -10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.092 0.103 -11.873 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.068 -1.028 -12.735 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.515 -1.541 -9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.872 -1.811 -10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.619 -2.934 -11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.242 -3.584 -10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.892 -4.979 -11.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.114 -3.890 -11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.351 -3.733 -12.867 1.00 0.00 H new ATOM 1489 N PRO A 100 2.768 0.783 -8.617 1.00 0.00 N ATOM 1490 CA PRO A 100 4.026 1.321 -8.097 1.00 0.00 C ATOM 1491 C PRO A 100 4.811 2.040 -9.182 1.00 0.00 C ATOM 1492 O PRO A 100 5.193 3.199 -9.028 1.00 0.00 O ATOM 1493 CB PRO A 100 4.770 0.074 -7.625 1.00 0.00 C ATOM 1494 CG PRO A 100 3.692 -0.885 -7.251 1.00 0.00 C ATOM 1495 CD PRO A 100 2.542 -0.611 -8.185 1.00 0.00 C ATOM 0 HA PRO A 100 3.876 2.059 -7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.406 -0.331 -8.413 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.417 0.295 -6.776 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.036 -1.915 -7.349 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.391 -0.747 -6.212 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.541 -1.298 -9.032 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.582 -0.724 -7.682 1.00 0.00 H new ATOM 1503 N SER A 101 5.026 1.343 -10.295 1.00 0.00 N ATOM 1504 CA SER A 101 5.738 1.919 -11.425 1.00 0.00 C ATOM 1505 C SER A 101 5.046 3.202 -11.869 1.00 0.00 C ATOM 1506 O SER A 101 5.665 4.082 -12.468 1.00 0.00 O ATOM 1507 CB SER A 101 5.797 0.924 -12.584 1.00 0.00 C ATOM 1508 OG SER A 101 6.106 1.575 -13.804 1.00 0.00 O ATOM 0 H SER A 101 4.717 0.381 -10.435 1.00 0.00 H new ATOM 0 HA SER A 101 6.758 2.150 -11.118 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.548 0.162 -12.375 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.840 0.411 -12.675 1.00 0.00 H new ATOM 0 HG SER A 101 6.139 0.915 -14.528 1.00 0.00 H new ATOM 1514 N ALA A 102 3.755 3.307 -11.550 1.00 0.00 N ATOM 1515 CA ALA A 102 2.980 4.489 -11.896 1.00 0.00 C ATOM 1516 C ALA A 102 2.995 5.498 -10.750 1.00 0.00 C ATOM 1517 O ALA A 102 2.598 6.651 -10.922 1.00 0.00 O ATOM 1518 CB ALA A 102 1.551 4.100 -12.243 1.00 0.00 C ATOM 0 H ALA A 102 3.229 2.587 -11.054 1.00 0.00 H new ATOM 0 HA ALA A 102 3.436 4.957 -12.769 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.983 4.994 -12.500 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.556 3.417 -13.092 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.089 3.610 -11.386 1.00 0.00 H new ATOM 1524 N VAL A 103 3.457 5.058 -9.579 1.00 0.00 N ATOM 1525 CA VAL A 103 3.523 5.927 -8.410 1.00 0.00 C ATOM 1526 C VAL A 103 4.946 6.421 -8.174 1.00 0.00 C ATOM 1527 O VAL A 103 5.906 5.663 -8.306 1.00 0.00 O ATOM 1528 CB VAL A 103 3.025 5.204 -7.143 1.00 0.00 C ATOM 1529 CG1 VAL A 103 2.925 6.176 -5.977 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.686 4.528 -7.401 1.00 0.00 C ATOM 0 H VAL A 103 3.789 4.107 -9.418 1.00 0.00 H new ATOM 0 HA VAL A 103 2.873 6.779 -8.611 1.00 0.00 H new ATOM 0 HB VAL A 103 3.749 4.432 -6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.572 5.647 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.907 6.605 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.225 6.973 -6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.352 4.024 -6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.950 5.278 -7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.796 3.798 -8.203 1.00 0.00 H new ATOM 1540 N THR A 104 5.075 7.697 -7.824 1.00 0.00 N ATOM 1541 CA THR A 104 6.382 8.291 -7.569 1.00 0.00 C ATOM 1542 C THR A 104 6.447 8.886 -6.166 1.00 0.00 C ATOM 1543 O THR A 104 5.920 9.970 -5.916 1.00 0.00 O ATOM 1544 CB THR A 104 6.685 9.372 -8.609 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.155 9.014 -9.873 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.165 9.631 -8.787 1.00 0.00 C ATOM 0 H THR A 104 4.291 8.339 -7.711 1.00 0.00 H new ATOM 0 HA THR A 104 7.132 7.503 -7.644 1.00 0.00 H new ATOM 0 HB THR A 104 6.217 10.280 -8.228 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.357 9.718 -10.524 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.311 10.408 -9.538 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.594 9.957 -7.839 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.658 8.715 -9.112 1.00 0.00 H new ATOM 1554 N VAL A 105 7.097 8.171 -5.254 1.00 0.00 N ATOM 1555 CA VAL A 105 7.231 8.629 -3.876 1.00 0.00 C ATOM 1556 C VAL A 105 8.302 9.708 -3.758 1.00 0.00 C ATOM 1557 O VAL A 105 9.447 9.507 -4.164 1.00 0.00 O ATOM 1558 CB VAL A 105 7.582 7.467 -2.928 1.00 0.00 C ATOM 1559 CG1 VAL A 105 7.476 7.910 -1.477 1.00 0.00 C ATOM 1560 CG2 VAL A 105 6.685 6.268 -3.194 1.00 0.00 C ATOM 0 H VAL A 105 7.539 7.272 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 105 6.266 9.044 -3.586 1.00 0.00 H new ATOM 0 HB VAL A 105 8.613 7.168 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.728 7.076 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.167 8.734 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.457 8.239 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.949 5.458 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.644 6.550 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 105 6.818 5.935 -4.223 1.00 0.00 H new ATOM 1570 N GLY A 106 7.923 10.854 -3.203 1.00 0.00 N ATOM 1571 CA GLY A 106 8.864 11.948 -3.043 1.00 0.00 C ATOM 1572 C GLY A 106 8.861 12.518 -1.637 1.00 0.00 C ATOM 1573 O GLY A 106 9.201 13.683 -1.432 1.00 0.00 O ATOM 0 H GLY A 106 6.981 11.045 -2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.867 11.598 -3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.620 12.739 -3.752 1.00 0.00 H new