USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 689 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 69 TYR OH : rot 30:sc= 0.735 USER MOD Set 1.2: A 75 THR OG1 : rot 157:sc= 1.25 USER MOD Set 2.1: A 59 SER OG : rot 140:sc= 1.01 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 149:sc= 2.02 (180deg=-0.165) USER MOD Set 3.1: A 41 TYR OH : rot 130:sc= 1.09 USER MOD Set 3.2: A 45 LYS NZ :NH3+ -171:sc= 1.26 (180deg=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.223 F(o=-2.6!,f=-0.22) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 154:sc= 0.773 USER MOD Single : A 31 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.78) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= 1.25 (180deg=1.19) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.0833 (180deg=-0.459) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.285 F(o=-2.4!,f=-0.28) USER MOD Single : A 62 GLN : amide:sc= -0.731 K(o=-0.73,f=-6.9!) USER MOD Single : A 73 GLN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.671 F(o=-1.5!,f=-0.67) USER MOD Single : A 80 ASN : amide:sc= 0.558 K(o=0.56,f=-0.52) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 83 SER OG : rot 180:sc= 0.124 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.19 F(o=-0.85,f=-0.19) USER MOD Single : A 88 THR OG1 : rot -78:sc= 2.04 USER MOD Single : A 93 ASN : amide:sc= 1.08 K(o=1.1,f=-0.036) USER MOD Single : A 96 SER OG : rot 165:sc= 1.26 USER MOD Single : A 98 LYS NZ :NH3+ -163:sc= -0.0833 (180deg=-0.395) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 3.091 -11.465 -2.457 1.00 0.00 N ATOM 2 CA GLY A 15 4.320 -12.119 -2.070 1.00 0.00 C ATOM 3 C GLY A 15 5.425 -11.153 -2.115 1.00 0.00 C ATOM 4 O GLY A 15 5.849 -10.758 -3.177 1.00 0.00 O ATOM 0 HA2 GLY A 15 4.224 -12.531 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.526 -12.954 -2.739 1.00 0.00 H new ATOM 8 N LEU A 16 5.870 -10.712 -0.990 1.00 0.00 N ATOM 9 CA LEU A 16 6.937 -9.782 -0.978 1.00 0.00 C ATOM 10 C LEU A 16 7.776 -10.072 0.200 1.00 0.00 C ATOM 11 O LEU A 16 7.604 -11.070 0.869 1.00 0.00 O ATOM 12 CB LEU A 16 6.476 -8.312 -0.821 1.00 0.00 C ATOM 13 CG LEU A 16 5.251 -7.816 -1.528 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.065 -7.971 -0.626 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.447 -6.368 -1.882 1.00 0.00 C ATOM 0 H LEU A 16 5.512 -10.980 -0.073 1.00 0.00 H new ATOM 0 HA LEU A 16 7.454 -9.884 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.326 -8.135 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.306 -7.680 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 16 5.082 -8.390 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.171 -7.612 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.938 -9.023 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.222 -7.392 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.561 -5.996 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.607 -5.789 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.315 -6.267 -2.534 1.00 0.00 H new ATOM 27 N ARG A 17 8.674 -9.210 0.440 1.00 0.00 N ATOM 28 CA ARG A 17 9.386 -9.198 1.638 1.00 0.00 C ATOM 29 C ARG A 17 8.660 -8.223 2.526 1.00 0.00 C ATOM 30 O ARG A 17 8.673 -8.354 3.752 1.00 0.00 O ATOM 31 CB ARG A 17 10.810 -8.722 1.421 1.00 0.00 C ATOM 32 CG ARG A 17 11.629 -9.594 0.500 1.00 0.00 C ATOM 33 CD ARG A 17 12.985 -8.970 0.251 1.00 0.00 C ATOM 34 NE ARG A 17 13.728 -8.748 1.494 1.00 0.00 N ATOM 35 CZ ARG A 17 14.529 -7.707 1.745 1.00 0.00 C ATOM 36 NH1 ARG A 17 14.807 -6.811 0.791 1.00 0.00 N ATOM 37 NH2 ARG A 17 15.085 -7.588 2.939 1.00 0.00 N ATOM 0 H ARG A 17 8.940 -8.472 -0.212 1.00 0.00 H new ATOM 0 HA ARG A 17 9.443 -10.197 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.784 -7.711 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.311 -8.664 2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.752 -10.584 0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.104 -9.729 -0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.566 -9.617 -0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.856 -8.020 -0.268 1.00 0.00 H new ATOM 0 HE ARG A 17 13.626 -9.447 2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.406 -6.917 -0.141 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.420 -6.021 0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.901 -8.287 3.659 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.697 -6.797 3.140 1.00 0.00 H new ATOM 51 N GLU A 18 7.974 -7.228 1.882 1.00 0.00 N ATOM 52 CA GLU A 18 7.265 -6.189 2.671 1.00 0.00 C ATOM 53 C GLU A 18 6.428 -5.197 1.862 1.00 0.00 C ATOM 54 O GLU A 18 6.714 -4.935 0.688 1.00 0.00 O ATOM 55 CB GLU A 18 8.268 -5.368 3.463 1.00 0.00 C ATOM 56 CG GLU A 18 9.406 -4.807 2.647 1.00 0.00 C ATOM 57 CD GLU A 18 10.507 -4.276 3.477 1.00 0.00 C ATOM 58 OE1 GLU A 18 11.358 -5.062 3.935 1.00 0.00 O ATOM 59 OE2 GLU A 18 10.546 -3.061 3.699 1.00 0.00 O ATOM 0 H GLU A 18 7.902 -7.130 0.869 1.00 0.00 H new ATOM 0 HA GLU A 18 6.578 -6.758 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.743 -4.543 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.680 -5.990 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.796 -5.587 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.027 -4.012 2.004 1.00 0.00 H new ATOM 66 N ILE A 19 5.368 -4.683 2.515 1.00 0.00 N ATOM 67 CA ILE A 19 4.638 -3.490 2.071 1.00 0.00 C ATOM 68 C ILE A 19 4.556 -2.504 3.225 1.00 0.00 C ATOM 69 O ILE A 19 4.117 -2.836 4.344 1.00 0.00 O ATOM 70 CB ILE A 19 3.200 -3.785 1.528 1.00 0.00 C ATOM 71 CG1 ILE A 19 3.240 -4.335 0.114 1.00 0.00 C ATOM 72 CG2 ILE A 19 2.258 -2.565 1.614 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.556 -3.311 -0.941 1.00 0.00 C ATOM 0 H ILE A 19 4.995 -5.091 3.372 1.00 0.00 H new ATOM 0 HA ILE A 19 5.196 -3.076 1.231 1.00 0.00 H new ATOM 0 HB ILE A 19 2.785 -4.550 2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.985 -5.129 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.275 -4.788 -0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.277 -2.834 1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.160 -2.253 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.670 -1.745 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.564 -3.789 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.799 -2.527 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.534 -2.874 -0.742 1.00 0.00 H new ATOM 85 N ARG A 20 5.015 -1.334 2.965 1.00 0.00 N ATOM 86 CA ARG A 20 4.951 -0.244 3.889 1.00 0.00 C ATOM 87 C ARG A 20 4.208 0.902 3.247 1.00 0.00 C ATOM 88 O ARG A 20 4.716 1.544 2.322 1.00 0.00 O ATOM 89 CB ARG A 20 6.343 0.246 4.331 1.00 0.00 C ATOM 90 CG ARG A 20 6.888 -0.325 5.640 1.00 0.00 C ATOM 91 CD ARG A 20 7.346 -1.770 5.583 1.00 0.00 C ATOM 92 NE ARG A 20 7.801 -2.195 6.924 1.00 0.00 N ATOM 93 CZ ARG A 20 8.839 -3.005 7.203 1.00 0.00 C ATOM 94 NH1 ARG A 20 9.691 -3.361 6.263 1.00 0.00 N ATOM 95 NH2 ARG A 20 9.072 -3.380 8.454 1.00 0.00 N ATOM 0 H ARG A 20 5.460 -1.094 2.079 1.00 0.00 H new ATOM 0 HA ARG A 20 4.434 -0.602 4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.053 0.015 3.537 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.309 1.332 4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.727 0.291 5.963 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.115 -0.237 6.404 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.530 -2.408 5.245 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.156 -1.878 4.861 1.00 0.00 H new ATOM 0 HE ARG A 20 7.274 -1.837 7.720 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.569 -3.022 5.309 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.473 -3.975 6.490 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.464 -3.054 9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.859 -3.994 8.664 1.00 0.00 H new ATOM 109 N ILE A 21 3.014 1.150 3.679 1.00 0.00 N ATOM 110 CA ILE A 21 2.302 2.284 3.160 1.00 0.00 C ATOM 111 C ILE A 21 2.849 3.484 3.803 1.00 0.00 C ATOM 112 O ILE A 21 2.871 3.565 4.998 1.00 0.00 O ATOM 113 CB ILE A 21 0.828 2.349 3.500 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.349 1.205 4.375 1.00 0.00 C ATOM 115 CG2 ILE A 21 -0.012 2.496 2.240 1.00 0.00 C ATOM 116 CD1 ILE A 21 -1.007 1.472 4.966 1.00 0.00 C ATOM 0 H ILE A 21 2.514 0.598 4.376 1.00 0.00 H new ATOM 0 HA ILE A 21 2.413 2.209 2.078 1.00 0.00 H new ATOM 0 HB ILE A 21 0.693 3.243 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.312 0.289 3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.067 1.039 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.067 2.541 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.269 3.412 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.160 1.641 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.308 0.626 5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.966 2.373 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.732 1.611 4.164 1.00 0.00 H new ATOM 128 N HIS A 22 3.281 4.390 3.059 1.00 0.00 N ATOM 129 CA HIS A 22 3.698 5.612 3.636 1.00 0.00 C ATOM 130 C HIS A 22 2.467 6.467 3.665 1.00 0.00 C ATOM 131 O HIS A 22 1.876 6.715 2.618 1.00 0.00 O ATOM 132 CB HIS A 22 4.842 6.253 2.811 1.00 0.00 C ATOM 133 CG HIS A 22 6.111 5.422 2.791 1.00 0.00 C ATOM 134 ND1 HIS A 22 6.618 4.580 3.720 1.00 0.00 N flip ATOM 135 CD2 HIS A 22 7.031 5.414 1.745 1.00 0.00 C flip ATOM 136 CE1 HIS A 22 7.794 4.090 3.239 1.00 0.00 C flip ATOM 137 NE2 HIS A 22 8.027 4.596 2.057 1.00 0.00 N flip ATOM 0 H HIS A 22 3.364 4.330 2.044 1.00 0.00 H new ATOM 0 HA HIS A 22 4.108 5.482 4.637 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.500 6.405 1.787 1.00 0.00 H new ATOM 0 HB3 HIS A 22 5.068 7.237 3.221 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.947 5.981 0.830 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.435 3.391 3.755 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.839 4.395 1.473 1.00 0.00 H new ATOM 146 N LEU A 23 2.061 6.866 4.842 1.00 0.00 N ATOM 147 CA LEU A 23 0.863 7.624 5.017 1.00 0.00 C ATOM 148 C LEU A 23 1.168 8.965 5.655 1.00 0.00 C ATOM 149 O LEU A 23 1.716 9.849 4.996 1.00 0.00 O ATOM 150 CB LEU A 23 -0.189 6.834 5.830 1.00 0.00 C ATOM 151 CG LEU A 23 -1.553 7.522 6.012 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.238 7.754 4.672 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.431 6.715 6.943 1.00 0.00 C ATOM 0 H LEU A 23 2.561 6.669 5.709 1.00 0.00 H new ATOM 0 HA LEU A 23 0.433 7.811 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.351 5.873 5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.225 6.624 6.816 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.384 8.499 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.199 8.242 4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.610 8.389 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.396 6.798 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.392 7.215 7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.588 5.721 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.946 6.627 7.915 1.00 0.00 H new ATOM 165 N CYS A 24 0.895 9.066 6.963 1.00 0.00 N ATOM 166 CA CYS A 24 1.091 10.302 7.748 1.00 0.00 C ATOM 167 C CYS A 24 0.070 11.379 7.335 1.00 0.00 C ATOM 168 O CYS A 24 -0.788 11.134 6.474 1.00 0.00 O ATOM 169 CB CYS A 24 2.564 10.742 7.611 1.00 0.00 C ATOM 170 SG CYS A 24 3.032 12.480 7.929 1.00 0.00 S ATOM 0 H CYS A 24 0.529 8.289 7.514 1.00 0.00 H new ATOM 0 HA CYS A 24 0.902 10.126 8.807 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.152 10.119 8.285 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.881 10.501 6.596 1.00 0.00 H new ATOM 175 N GLN A 25 0.089 12.517 7.994 1.00 0.00 N ATOM 176 CA GLN A 25 -0.788 13.589 7.635 1.00 0.00 C ATOM 177 C GLN A 25 -0.038 14.931 7.536 1.00 0.00 C ATOM 178 O GLN A 25 0.303 15.561 8.548 1.00 0.00 O ATOM 179 CB GLN A 25 -2.018 13.656 8.574 1.00 0.00 C ATOM 180 CG GLN A 25 -1.712 13.896 10.048 1.00 0.00 C ATOM 181 CD GLN A 25 -2.948 13.854 10.916 1.00 0.00 C ATOM 182 OE1 GLN A 25 -3.899 13.113 10.640 1.00 0.00 O ATOM 183 NE2 GLN A 25 -2.972 14.661 11.934 1.00 0.00 N ATOM 0 H GLN A 25 0.706 12.716 8.781 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.173 13.381 6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.676 14.451 8.224 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.572 12.722 8.484 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.004 13.143 10.395 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.227 14.866 10.161 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.169 15.258 12.131 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.794 14.698 12.536 1.00 0.00 H new ATOM 192 N ARG A 26 0.269 15.334 6.319 1.00 0.00 N ATOM 193 CA ARG A 26 0.886 16.629 6.071 1.00 0.00 C ATOM 194 C ARG A 26 0.555 17.168 4.685 1.00 0.00 C ATOM 195 O ARG A 26 0.148 18.314 4.557 1.00 0.00 O ATOM 196 CB ARG A 26 2.412 16.664 6.326 1.00 0.00 C ATOM 197 CG ARG A 26 3.260 15.757 5.450 1.00 0.00 C ATOM 198 CD ARG A 26 4.742 16.035 5.664 1.00 0.00 C ATOM 199 NE ARG A 26 5.145 15.849 7.067 1.00 0.00 N ATOM 200 CZ ARG A 26 6.169 16.480 7.671 1.00 0.00 C ATOM 201 NH1 ARG A 26 6.942 17.319 6.995 1.00 0.00 N ATOM 202 NH2 ARG A 26 6.424 16.253 8.951 1.00 0.00 N ATOM 0 H ARG A 26 0.101 14.781 5.478 1.00 0.00 H new ATOM 0 HA ARG A 26 0.441 17.292 6.813 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.758 17.689 6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.591 16.399 7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.043 14.714 5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.003 15.912 4.402 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.330 15.373 5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.967 17.056 5.355 1.00 0.00 H new ATOM 0 HE ARG A 26 4.605 15.189 7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.764 17.492 6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.715 17.791 7.464 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.844 15.600 9.479 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.200 16.731 9.409 1.00 0.00 H new ATOM 216 N SER A 27 0.694 16.352 3.659 1.00 0.00 N ATOM 217 CA SER A 27 0.457 16.831 2.320 1.00 0.00 C ATOM 218 C SER A 27 -0.772 16.109 1.697 1.00 0.00 C ATOM 219 O SER A 27 -1.474 15.390 2.418 1.00 0.00 O ATOM 220 CB SER A 27 1.733 16.608 1.515 1.00 0.00 C ATOM 221 OG SER A 27 2.853 17.275 2.103 1.00 0.00 O ATOM 0 H SER A 27 0.965 15.371 3.728 1.00 0.00 H new ATOM 0 HA SER A 27 0.219 17.895 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.939 15.540 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.588 16.968 0.497 1.00 0.00 H new ATOM 0 HG SER A 27 3.653 17.109 1.562 1.00 0.00 H new ATOM 227 N PRO A 28 -1.121 16.381 0.397 1.00 0.00 N ATOM 228 CA PRO A 28 -2.182 15.661 -0.327 1.00 0.00 C ATOM 229 C PRO A 28 -2.160 14.138 -0.111 1.00 0.00 C ATOM 230 O PRO A 28 -1.194 13.453 -0.462 1.00 0.00 O ATOM 231 CB PRO A 28 -1.849 15.983 -1.782 1.00 0.00 C ATOM 232 CG PRO A 28 -1.372 17.378 -1.724 1.00 0.00 C ATOM 233 CD PRO A 28 -0.581 17.482 -0.450 1.00 0.00 C ATOM 0 HA PRO A 28 -3.175 15.963 0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.085 15.313 -2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.723 15.884 -2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.754 17.617 -2.590 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.207 18.078 -1.725 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.487 17.360 -0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.714 18.454 0.025 1.00 0.00 H new ATOM 241 N GLY A 29 -3.215 13.634 0.473 1.00 0.00 N ATOM 242 CA GLY A 29 -3.349 12.229 0.698 1.00 0.00 C ATOM 243 C GLY A 29 -4.229 11.667 -0.351 1.00 0.00 C ATOM 244 O GLY A 29 -3.898 11.772 -1.509 1.00 0.00 O ATOM 0 H GLY A 29 -4.003 14.191 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.372 11.746 0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.770 12.042 1.686 1.00 0.00 H new ATOM 248 N SER A 30 -5.314 11.041 0.044 1.00 0.00 N ATOM 249 CA SER A 30 -6.345 10.613 -0.874 1.00 0.00 C ATOM 250 C SER A 30 -7.471 9.948 -0.120 1.00 0.00 C ATOM 251 O SER A 30 -7.293 9.422 0.990 1.00 0.00 O ATOM 252 CB SER A 30 -5.840 9.677 -1.976 1.00 0.00 C ATOM 253 OG SER A 30 -6.832 9.484 -2.979 1.00 0.00 O ATOM 0 H SER A 30 -5.507 10.813 1.019 1.00 0.00 H new ATOM 0 HA SER A 30 -6.700 11.516 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.939 10.093 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.565 8.715 -1.543 1.00 0.00 H new ATOM 0 HG SER A 30 -6.399 9.259 -3.829 1.00 0.00 H new ATOM 259 N GLN A 31 -8.580 9.877 -0.761 1.00 0.00 N ATOM 260 CA GLN A 31 -9.758 9.308 -0.187 1.00 0.00 C ATOM 261 C GLN A 31 -9.792 7.848 -0.495 1.00 0.00 C ATOM 262 O GLN A 31 -10.295 7.049 0.282 1.00 0.00 O ATOM 263 CB GLN A 31 -11.044 10.076 -0.604 1.00 0.00 C ATOM 264 CG GLN A 31 -11.166 10.467 -2.089 1.00 0.00 C ATOM 265 CD GLN A 31 -11.336 9.307 -3.051 1.00 0.00 C ATOM 266 OE1 GLN A 31 -11.923 8.286 -2.719 1.00 0.00 O ATOM 267 NE2 GLN A 31 -10.812 9.455 -4.236 1.00 0.00 N ATOM 0 H GLN A 31 -8.704 10.216 -1.715 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.727 9.414 0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.906 9.463 -0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.106 10.986 -0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.016 11.140 -2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.276 11.028 -2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.330 10.321 -4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.884 8.704 -4.923 1.00 0.00 H new ATOM 276 N GLY A 32 -9.178 7.502 -1.614 1.00 0.00 N ATOM 277 CA GLY A 32 -9.049 6.141 -1.972 1.00 0.00 C ATOM 278 C GLY A 32 -8.017 5.509 -1.112 1.00 0.00 C ATOM 279 O GLY A 32 -8.142 4.326 -0.723 1.00 0.00 O ATOM 0 H GLY A 32 -8.768 8.161 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.004 5.629 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.769 6.053 -3.022 1.00 0.00 H new ATOM 283 N VAL A 33 -7.005 6.315 -0.730 1.00 0.00 N ATOM 284 CA VAL A 33 -5.985 5.761 0.123 1.00 0.00 C ATOM 285 C VAL A 33 -6.587 5.537 1.485 1.00 0.00 C ATOM 286 O VAL A 33 -6.510 4.459 1.992 1.00 0.00 O ATOM 287 CB VAL A 33 -4.621 6.555 0.184 1.00 0.00 C ATOM 288 CG1 VAL A 33 -4.130 6.894 -1.190 1.00 0.00 C ATOM 289 CG2 VAL A 33 -4.634 7.791 1.068 1.00 0.00 C ATOM 0 H VAL A 33 -6.890 7.294 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.673 4.818 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.924 5.867 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.190 7.440 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.973 5.976 -1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.870 7.512 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.653 8.266 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.386 8.491 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.873 7.503 2.092 1.00 0.00 H new ATOM 299 N ARG A 34 -7.243 6.577 2.019 1.00 0.00 N ATOM 300 CA ARG A 34 -8.015 6.548 3.266 1.00 0.00 C ATOM 301 C ARG A 34 -8.866 5.320 3.346 1.00 0.00 C ATOM 302 O ARG A 34 -8.838 4.606 4.332 1.00 0.00 O ATOM 303 CB ARG A 34 -8.958 7.709 3.289 1.00 0.00 C ATOM 304 CG ARG A 34 -9.631 7.896 4.621 1.00 0.00 C ATOM 305 CD ARG A 34 -10.646 8.989 4.572 1.00 0.00 C ATOM 306 NE ARG A 34 -11.316 9.152 5.852 1.00 0.00 N ATOM 307 CZ ARG A 34 -11.914 10.276 6.253 1.00 0.00 C ATOM 308 NH1 ARG A 34 -12.121 11.275 5.388 1.00 0.00 N ATOM 309 NH2 ARG A 34 -12.368 10.369 7.491 1.00 0.00 N ATOM 0 H ARG A 34 -7.250 7.496 1.576 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.304 6.574 4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.413 8.618 3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.718 7.567 2.521 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.112 6.965 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.882 8.127 5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.162 9.924 4.292 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.383 8.768 3.800 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.330 8.353 6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.822 11.180 4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.578 12.132 5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.260 9.584 8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.826 11.225 7.803 1.00 0.00 H new ATOM 323 N ASP A 35 -9.651 5.104 2.297 1.00 0.00 N ATOM 324 CA ASP A 35 -10.510 3.922 2.192 1.00 0.00 C ATOM 325 C ASP A 35 -9.730 2.724 2.434 1.00 0.00 C ATOM 326 O ASP A 35 -10.081 1.945 3.298 1.00 0.00 O ATOM 327 CB ASP A 35 -11.208 3.799 0.838 1.00 0.00 C ATOM 328 CG ASP A 35 -12.564 4.468 0.725 1.00 0.00 C ATOM 329 OD1 ASP A 35 -12.730 5.606 1.182 1.00 0.00 O ATOM 330 OD2 ASP A 35 -13.522 3.829 0.185 1.00 0.00 O ATOM 0 H ASP A 35 -9.713 5.736 1.499 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.288 4.038 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.553 4.219 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.327 2.740 0.608 1.00 0.00 H new ATOM 335 N PHE A 36 -8.674 2.578 1.702 1.00 0.00 N ATOM 336 CA PHE A 36 -7.779 1.495 1.913 1.00 0.00 C ATOM 337 C PHE A 36 -7.374 1.434 3.377 1.00 0.00 C ATOM 338 O PHE A 36 -7.773 0.520 4.076 1.00 0.00 O ATOM 339 CB PHE A 36 -6.596 1.578 0.911 1.00 0.00 C ATOM 340 CG PHE A 36 -5.267 0.946 1.300 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.455 1.535 2.251 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.810 -0.195 0.670 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.240 0.990 2.569 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.581 -0.734 0.978 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.796 -0.143 1.929 1.00 0.00 C ATOM 0 H PHE A 36 -8.410 3.206 0.943 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.268 0.543 1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.920 1.119 -0.023 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.413 2.632 0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.783 2.436 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.427 -0.672 -0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.626 1.453 3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.237 -1.622 0.469 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.833 -0.564 2.176 1.00 0.00 H new ATOM 355 N ILE A 37 -6.786 2.498 3.823 1.00 0.00 N ATOM 356 CA ILE A 37 -6.172 2.621 5.149 1.00 0.00 C ATOM 357 C ILE A 37 -7.151 2.194 6.276 1.00 0.00 C ATOM 358 O ILE A 37 -6.750 1.537 7.233 1.00 0.00 O ATOM 359 CB ILE A 37 -5.753 4.097 5.513 1.00 0.00 C ATOM 360 CG1 ILE A 37 -5.016 4.932 4.421 1.00 0.00 C ATOM 361 CG2 ILE A 37 -4.986 4.157 6.825 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.720 4.385 3.895 1.00 0.00 C ATOM 0 H ILE A 37 -6.706 3.350 3.268 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.296 1.975 5.090 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.721 4.589 5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.695 5.060 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.823 5.925 4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.715 5.190 7.041 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.611 3.770 7.630 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.082 3.554 6.746 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.317 5.064 3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.008 4.286 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.894 3.408 3.445 1.00 0.00 H new ATOM 374 N GLU A 38 -8.413 2.587 6.172 1.00 0.00 N ATOM 375 CA GLU A 38 -9.319 2.407 7.295 1.00 0.00 C ATOM 376 C GLU A 38 -10.306 1.310 7.051 1.00 0.00 C ATOM 377 O GLU A 38 -10.406 0.337 7.801 1.00 0.00 O ATOM 378 CB GLU A 38 -10.017 3.735 7.743 1.00 0.00 C ATOM 379 CG GLU A 38 -10.844 4.457 6.675 1.00 0.00 C ATOM 380 CD GLU A 38 -11.600 5.648 7.218 1.00 0.00 C ATOM 381 OE1 GLU A 38 -11.055 6.770 7.248 1.00 0.00 O ATOM 382 OE2 GLU A 38 -12.765 5.488 7.637 1.00 0.00 O ATOM 0 H GLU A 38 -8.824 3.021 5.345 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.695 2.099 8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.668 3.512 8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.250 4.420 8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.183 4.788 5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.552 3.754 6.235 1.00 0.00 H new ATOM 389 N LYS A 39 -10.944 1.458 5.939 1.00 0.00 N ATOM 390 CA LYS A 39 -12.096 0.738 5.531 1.00 0.00 C ATOM 391 C LYS A 39 -11.702 -0.567 4.920 1.00 0.00 C ATOM 392 O LYS A 39 -12.396 -1.565 5.056 1.00 0.00 O ATOM 393 CB LYS A 39 -12.737 1.638 4.490 1.00 0.00 C ATOM 394 CG LYS A 39 -14.046 1.233 3.869 1.00 0.00 C ATOM 395 CD LYS A 39 -14.466 2.368 2.960 1.00 0.00 C ATOM 396 CE LYS A 39 -15.699 2.091 2.145 1.00 0.00 C ATOM 397 NZ LYS A 39 -15.992 3.257 1.281 1.00 0.00 N ATOM 0 H LYS A 39 -10.648 2.139 5.240 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.766 0.505 6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.881 2.617 4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.017 1.767 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.937 0.306 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.799 1.053 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.639 3.257 3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.643 2.598 2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.552 1.200 1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.545 1.890 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.565 2.952 0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.517 3.970 1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.100 3.669 0.940 1.00 0.00 H new ATOM 411 N ARG A 40 -10.577 -0.579 4.269 1.00 0.00 N ATOM 412 CA ARG A 40 -10.195 -1.721 3.557 1.00 0.00 C ATOM 413 C ARG A 40 -9.107 -2.445 4.308 1.00 0.00 C ATOM 414 O ARG A 40 -8.930 -3.607 4.101 1.00 0.00 O ATOM 415 CB ARG A 40 -9.735 -1.276 2.173 1.00 0.00 C ATOM 416 CG ARG A 40 -9.357 -2.353 1.187 1.00 0.00 C ATOM 417 CD ARG A 40 -10.537 -3.189 0.713 1.00 0.00 C ATOM 418 NE ARG A 40 -10.200 -3.831 -0.568 1.00 0.00 N ATOM 419 CZ ARG A 40 -11.025 -4.551 -1.341 1.00 0.00 C ATOM 420 NH1 ARG A 40 -12.171 -5.034 -0.871 1.00 0.00 N ATOM 421 NH2 ARG A 40 -10.640 -4.850 -2.573 1.00 0.00 N ATOM 0 H ARG A 40 -9.919 0.200 4.227 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.027 -2.417 3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.531 -0.678 1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.875 -0.618 2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.880 -1.891 0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.618 -3.010 1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.783 -3.946 1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.419 -2.559 0.596 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.243 -3.716 -0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.439 -4.859 0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.782 -5.579 -1.479 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.733 -4.533 -2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.251 -5.397 -3.180 1.00 0.00 H new ATOM 435 N TYR A 41 -8.388 -1.723 5.196 1.00 0.00 N ATOM 436 CA TYR A 41 -7.224 -2.278 5.976 1.00 0.00 C ATOM 437 C TYR A 41 -7.363 -3.720 6.403 1.00 0.00 C ATOM 438 O TYR A 41 -6.665 -4.583 5.899 1.00 0.00 O ATOM 439 CB TYR A 41 -6.935 -1.439 7.205 1.00 0.00 C ATOM 440 CG TYR A 41 -5.756 -1.924 8.040 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.444 -1.763 7.612 1.00 0.00 C ATOM 442 CD2 TYR A 41 -5.975 -2.578 9.244 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.388 -2.238 8.372 1.00 0.00 C ATOM 444 CE2 TYR A 41 -4.939 -3.057 9.999 1.00 0.00 C ATOM 445 CZ TYR A 41 -3.645 -2.887 9.565 1.00 0.00 C ATOM 446 OH TYR A 41 -2.603 -3.385 10.322 1.00 0.00 O ATOM 0 H TYR A 41 -8.585 -0.744 5.402 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.396 -2.237 5.268 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.744 -0.413 6.892 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.825 -1.420 7.834 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.245 -1.262 6.676 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.988 -2.712 9.594 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.371 -2.102 8.035 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.136 -3.566 10.931 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.699 -3.084 11.250 1.00 0.00 H new ATOM 456 N VAL A 42 -8.231 -3.951 7.325 1.00 0.00 N ATOM 457 CA VAL A 42 -8.455 -5.252 7.898 1.00 0.00 C ATOM 458 C VAL A 42 -8.783 -6.309 6.817 1.00 0.00 C ATOM 459 O VAL A 42 -8.292 -7.451 6.867 1.00 0.00 O ATOM 460 CB VAL A 42 -9.524 -5.129 9.006 1.00 0.00 C ATOM 461 CG1 VAL A 42 -10.643 -4.209 8.547 1.00 0.00 C ATOM 462 CG2 VAL A 42 -10.050 -6.486 9.441 1.00 0.00 C ATOM 0 H VAL A 42 -8.828 -3.224 7.720 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.540 -5.619 8.362 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.055 -4.688 9.886 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.393 -4.127 9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.236 -3.221 8.330 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.104 -4.617 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.799 -6.353 10.221 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.501 -6.992 8.587 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.228 -7.088 9.827 1.00 0.00 H new ATOM 472 N GLU A 43 -9.504 -5.891 5.807 1.00 0.00 N ATOM 473 CA GLU A 43 -9.829 -6.735 4.692 1.00 0.00 C ATOM 474 C GLU A 43 -8.639 -6.900 3.766 1.00 0.00 C ATOM 475 O GLU A 43 -8.478 -7.938 3.247 1.00 0.00 O ATOM 476 CB GLU A 43 -11.064 -6.207 3.945 1.00 0.00 C ATOM 477 CG GLU A 43 -11.388 -6.970 2.669 1.00 0.00 C ATOM 478 CD GLU A 43 -12.701 -6.586 2.070 1.00 0.00 C ATOM 479 OE1 GLU A 43 -12.865 -5.435 1.653 1.00 0.00 O ATOM 480 OE2 GLU A 43 -13.608 -7.452 2.008 1.00 0.00 O ATOM 0 H GLU A 43 -9.884 -4.947 5.738 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.078 -7.724 5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.925 -6.251 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.905 -5.157 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.598 -6.795 1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.393 -8.039 2.884 1.00 0.00 H new ATOM 487 N LEU A 44 -7.756 -5.915 3.616 1.00 0.00 N ATOM 488 CA LEU A 44 -6.652 -6.109 2.697 1.00 0.00 C ATOM 489 C LEU A 44 -5.587 -6.924 3.378 1.00 0.00 C ATOM 490 O LEU A 44 -4.850 -7.671 2.745 1.00 0.00 O ATOM 491 CB LEU A 44 -6.151 -4.766 2.126 1.00 0.00 C ATOM 492 CG LEU A 44 -5.553 -3.746 3.087 1.00 0.00 C ATOM 493 CD1 LEU A 44 -4.051 -3.822 3.106 1.00 0.00 C ATOM 494 CD2 LEU A 44 -6.013 -2.367 2.746 1.00 0.00 C ATOM 0 H LEU A 44 -7.783 -5.016 4.097 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.982 -6.672 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.400 -4.988 1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.988 -4.290 1.616 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.906 -3.987 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.658 -3.081 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.741 -4.818 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.664 -3.623 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.575 -1.654 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.701 -2.120 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.100 -2.319 2.813 1.00 0.00 H new ATOM 506 N LYS A 45 -5.595 -6.829 4.689 1.00 0.00 N ATOM 507 CA LYS A 45 -4.712 -7.558 5.548 1.00 0.00 C ATOM 508 C LYS A 45 -5.114 -9.027 5.558 1.00 0.00 C ATOM 509 O LYS A 45 -4.265 -9.924 5.555 1.00 0.00 O ATOM 510 CB LYS A 45 -4.784 -6.939 6.945 1.00 0.00 C ATOM 511 CG LYS A 45 -3.748 -7.414 7.925 1.00 0.00 C ATOM 512 CD LYS A 45 -3.804 -6.570 9.183 1.00 0.00 C ATOM 513 CE LYS A 45 -2.660 -6.899 10.126 1.00 0.00 C ATOM 514 NZ LYS A 45 -2.619 -5.979 11.282 1.00 0.00 N ATOM 0 H LYS A 45 -6.239 -6.221 5.195 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.683 -7.502 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.695 -5.857 6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.771 -7.142 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.921 -8.462 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.756 -7.351 7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.764 -5.514 8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.754 -6.735 9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.765 -7.924 10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.716 -6.844 9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.743 -6.136 11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.647 -4.996 10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.439 -6.157 11.897 1.00 0.00 H new ATOM 528 N LYS A 46 -6.414 -9.271 5.549 1.00 0.00 N ATOM 529 CA LYS A 46 -6.917 -10.632 5.512 1.00 0.00 C ATOM 530 C LYS A 46 -6.919 -11.148 4.079 1.00 0.00 C ATOM 531 O LYS A 46 -6.803 -12.355 3.844 1.00 0.00 O ATOM 532 CB LYS A 46 -8.353 -10.691 6.066 1.00 0.00 C ATOM 533 CG LYS A 46 -9.444 -10.227 5.091 1.00 0.00 C ATOM 534 CD LYS A 46 -10.759 -9.986 5.804 1.00 0.00 C ATOM 535 CE LYS A 46 -11.889 -9.730 4.823 1.00 0.00 C ATOM 536 NZ LYS A 46 -12.117 -10.880 3.914 1.00 0.00 N ATOM 0 H LYS A 46 -7.135 -8.550 5.567 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.267 -11.253 6.128 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.568 -11.716 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.405 -10.077 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.124 -9.311 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.583 -10.979 4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.002 -10.850 6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.659 -9.133 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.805 -9.519 5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.661 -8.843 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.072 -10.817 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.414 -10.862 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.025 -11.768 4.448 1.00 0.00 H new ATOM 550 N ALA A 47 -7.064 -10.224 3.126 1.00 0.00 N ATOM 551 CA ALA A 47 -7.228 -10.580 1.745 1.00 0.00 C ATOM 552 C ALA A 47 -5.956 -11.095 1.172 1.00 0.00 C ATOM 553 O ALA A 47 -5.941 -12.091 0.427 1.00 0.00 O ATOM 554 CB ALA A 47 -7.702 -9.418 0.886 1.00 0.00 C ATOM 0 H ALA A 47 -7.069 -9.220 3.304 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.994 -11.355 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.807 -9.749 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.665 -9.063 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.974 -8.608 0.935 1.00 0.00 H new ATOM 560 N ASN A 48 -4.880 -10.431 1.541 1.00 0.00 N ATOM 561 CA ASN A 48 -3.594 -10.713 1.044 1.00 0.00 C ATOM 562 C ASN A 48 -2.701 -10.988 2.251 1.00 0.00 C ATOM 563 O ASN A 48 -2.076 -10.088 2.799 1.00 0.00 O ATOM 564 CB ASN A 48 -3.023 -9.527 0.204 1.00 0.00 C ATOM 565 CG ASN A 48 -3.904 -9.057 -0.976 1.00 0.00 C ATOM 566 OD1 ASN A 48 -3.777 -7.778 -1.372 1.00 0.00 O flip ATOM 567 ND2 ASN A 48 -4.666 -9.828 -1.550 1.00 0.00 N flip ATOM 0 H ASN A 48 -4.901 -9.664 2.214 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.635 -11.573 0.376 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.858 -8.680 0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.049 -9.819 -0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.747 -10.794 -1.234 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.218 -9.503 -2.344 1.00 0.00 H new ATOM 574 N PRO A 49 -2.744 -12.223 2.758 1.00 0.00 N ATOM 575 CA PRO A 49 -1.921 -12.667 3.907 1.00 0.00 C ATOM 576 C PRO A 49 -0.489 -12.804 3.463 1.00 0.00 C ATOM 577 O PRO A 49 0.466 -12.614 4.208 1.00 0.00 O ATOM 578 CB PRO A 49 -2.514 -14.038 4.220 1.00 0.00 C ATOM 579 CG PRO A 49 -3.029 -14.494 2.905 1.00 0.00 C ATOM 580 CD PRO A 49 -3.620 -13.286 2.273 1.00 0.00 C ATOM 0 HA PRO A 49 -1.928 -11.988 4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.762 -14.721 4.617 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.309 -13.973 4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.228 -14.907 2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.775 -15.279 3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.615 -13.352 1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.655 -13.132 2.579 1.00 0.00 H new ATOM 588 N ASP A 50 -0.390 -13.092 2.210 1.00 0.00 N ATOM 589 CA ASP A 50 0.852 -13.206 1.450 1.00 0.00 C ATOM 590 C ASP A 50 1.417 -11.778 1.132 1.00 0.00 C ATOM 591 O ASP A 50 2.300 -11.587 0.289 1.00 0.00 O ATOM 592 CB ASP A 50 0.526 -14.010 0.165 1.00 0.00 C ATOM 593 CG ASP A 50 1.682 -14.250 -0.776 1.00 0.00 C ATOM 594 OD1 ASP A 50 2.595 -15.020 -0.435 1.00 0.00 O ATOM 595 OD2 ASP A 50 1.669 -13.697 -1.913 1.00 0.00 O ATOM 0 H ASP A 50 -1.213 -13.269 1.635 1.00 0.00 H new ATOM 0 HA ASP A 50 1.626 -13.725 2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.116 -14.976 0.459 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.257 -13.484 -0.380 1.00 0.00 H new ATOM 600 N LEU A 51 0.921 -10.799 1.854 1.00 0.00 N ATOM 601 CA LEU A 51 1.297 -9.424 1.692 1.00 0.00 C ATOM 602 C LEU A 51 1.595 -8.836 3.100 1.00 0.00 C ATOM 603 O LEU A 51 0.699 -8.791 3.940 1.00 0.00 O ATOM 604 CB LEU A 51 0.090 -8.685 1.023 1.00 0.00 C ATOM 605 CG LEU A 51 0.287 -7.275 0.420 1.00 0.00 C ATOM 606 CD1 LEU A 51 -1.018 -6.719 -0.086 1.00 0.00 C ATOM 607 CD2 LEU A 51 0.893 -6.306 1.370 1.00 0.00 C ATOM 0 H LEU A 51 0.228 -10.947 2.587 1.00 0.00 H new ATOM 0 HA LEU A 51 2.184 -9.310 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.284 -9.329 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.700 -8.611 1.771 1.00 0.00 H new ATOM 0 HG LEU A 51 0.986 -7.405 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.853 -5.727 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.419 -7.377 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.728 -6.651 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.003 -5.338 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.249 -6.201 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.873 -6.667 1.683 1.00 0.00 H new ATOM 619 N PRO A 52 2.874 -8.513 3.419 1.00 0.00 N ATOM 620 CA PRO A 52 3.227 -7.750 4.644 1.00 0.00 C ATOM 621 C PRO A 52 2.640 -6.365 4.629 1.00 0.00 C ATOM 622 O PRO A 52 2.962 -5.583 3.759 1.00 0.00 O ATOM 623 CB PRO A 52 4.707 -7.578 4.541 1.00 0.00 C ATOM 624 CG PRO A 52 5.174 -8.704 3.705 1.00 0.00 C ATOM 625 CD PRO A 52 4.076 -8.953 2.703 1.00 0.00 C ATOM 0 HA PRO A 52 2.869 -8.265 5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.961 -6.620 4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.175 -7.599 5.525 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.111 -8.458 3.205 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.359 -9.591 4.311 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.230 -8.385 1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.017 -10.004 2.421 1.00 0.00 H new ATOM 633 N ILE A 53 1.893 -6.042 5.629 1.00 0.00 N ATOM 634 CA ILE A 53 1.105 -4.800 5.640 1.00 0.00 C ATOM 635 C ILE A 53 1.413 -3.934 6.866 1.00 0.00 C ATOM 636 O ILE A 53 0.944 -4.216 7.979 1.00 0.00 O ATOM 637 CB ILE A 53 -0.432 -5.131 5.541 1.00 0.00 C ATOM 638 CG1 ILE A 53 -0.673 -5.906 4.247 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.305 -3.861 5.575 1.00 0.00 C ATOM 640 CD1 ILE A 53 -2.060 -6.425 4.036 1.00 0.00 C ATOM 0 H ILE A 53 1.793 -6.610 6.470 1.00 0.00 H new ATOM 0 HA ILE A 53 1.391 -4.214 4.766 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.718 -5.729 6.406 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.418 -5.259 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.016 -6.750 4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.356 -4.140 5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.134 -3.327 6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.043 -3.217 4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.109 -6.957 3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.321 -7.105 4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.762 -5.591 4.022 1.00 0.00 H new ATOM 652 N LEU A 54 2.251 -2.919 6.667 1.00 0.00 N ATOM 653 CA LEU A 54 2.607 -1.980 7.736 1.00 0.00 C ATOM 654 C LEU A 54 2.316 -0.543 7.290 1.00 0.00 C ATOM 655 O LEU A 54 2.500 -0.209 6.112 1.00 0.00 O ATOM 656 CB LEU A 54 4.111 -2.078 8.123 1.00 0.00 C ATOM 657 CG LEU A 54 4.660 -3.416 8.680 1.00 0.00 C ATOM 658 CD1 LEU A 54 3.813 -3.950 9.825 1.00 0.00 C ATOM 659 CD2 LEU A 54 4.867 -4.462 7.586 1.00 0.00 C ATOM 0 H LEU A 54 2.700 -2.723 5.772 1.00 0.00 H new ATOM 0 HA LEU A 54 2.005 -2.244 8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.695 -1.826 7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.310 -1.306 8.866 1.00 0.00 H new ATOM 0 HG LEU A 54 5.646 -3.197 9.090 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.236 -4.889 10.183 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.801 -3.224 10.638 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.795 -4.121 9.476 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.253 -5.380 8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.916 -4.668 7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.580 -4.085 6.853 1.00 0.00 H new ATOM 671 N ILE A 55 1.893 0.301 8.222 1.00 0.00 N ATOM 672 CA ILE A 55 1.613 1.693 7.961 1.00 0.00 C ATOM 673 C ILE A 55 2.836 2.493 8.391 1.00 0.00 C ATOM 674 O ILE A 55 3.426 2.236 9.445 1.00 0.00 O ATOM 675 CB ILE A 55 0.349 2.203 8.747 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.901 1.371 8.386 1.00 0.00 C ATOM 677 CG2 ILE A 55 0.095 3.687 8.459 1.00 0.00 C ATOM 678 CD1 ILE A 55 -2.157 1.766 9.132 1.00 0.00 C ATOM 0 H ILE A 55 1.735 0.027 9.192 1.00 0.00 H new ATOM 0 HA ILE A 55 1.400 1.820 6.900 1.00 0.00 H new ATOM 0 HB ILE A 55 0.548 2.081 9.812 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.086 1.463 7.316 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.692 0.320 8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.783 4.020 9.012 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.962 4.271 8.768 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.074 3.827 7.391 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.983 1.130 8.816 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.997 1.646 10.203 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.397 2.807 8.915 1.00 0.00 H new ATOM 690 N ARG A 56 3.232 3.392 7.561 1.00 0.00 N ATOM 691 CA ARG A 56 4.404 4.240 7.749 1.00 0.00 C ATOM 692 C ARG A 56 4.125 5.711 7.581 1.00 0.00 C ATOM 693 O ARG A 56 3.017 6.113 7.243 1.00 0.00 O ATOM 694 CB ARG A 56 5.570 3.818 6.884 1.00 0.00 C ATOM 695 CG ARG A 56 6.261 2.538 7.347 1.00 0.00 C ATOM 696 CD ARG A 56 7.007 2.728 8.683 1.00 0.00 C ATOM 697 NE ARG A 56 6.111 3.024 9.819 1.00 0.00 N ATOM 698 CZ ARG A 56 6.281 4.027 10.706 1.00 0.00 C ATOM 699 NH1 ARG A 56 7.235 4.937 10.510 1.00 0.00 N ATOM 700 NH2 ARG A 56 5.448 4.153 11.740 1.00 0.00 N ATOM 0 H ARG A 56 2.741 3.582 6.687 1.00 0.00 H new ATOM 0 HA ARG A 56 4.683 4.091 8.792 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.218 3.678 5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.302 4.625 6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.520 1.746 7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.966 2.211 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.576 1.825 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.727 3.540 8.576 1.00 0.00 H new ATOM 0 HE ARG A 56 5.297 2.421 9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.837 4.876 9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.363 5.695 11.181 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.682 3.491 11.861 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.577 4.911 12.410 1.00 0.00 H new ATOM 714 N GLU A 57 5.137 6.501 7.856 1.00 0.00 N ATOM 715 CA GLU A 57 5.043 7.945 7.849 1.00 0.00 C ATOM 716 C GLU A 57 5.390 8.531 6.443 1.00 0.00 C ATOM 717 O GLU A 57 5.854 7.811 5.549 1.00 0.00 O ATOM 718 CB GLU A 57 5.893 8.538 9.002 1.00 0.00 C ATOM 719 CG GLU A 57 5.680 10.025 9.265 1.00 0.00 C ATOM 720 CD GLU A 57 6.255 10.479 10.577 1.00 0.00 C ATOM 721 OE1 GLU A 57 5.532 10.405 11.594 1.00 0.00 O ATOM 722 OE2 GLU A 57 7.423 10.917 10.624 1.00 0.00 O ATOM 0 H GLU A 57 6.066 6.153 8.095 1.00 0.00 H new ATOM 0 HA GLU A 57 4.011 8.242 8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.671 7.988 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.947 8.372 8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.134 10.600 8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.612 10.242 9.249 1.00 0.00 H new ATOM 729 N CYS A 58 5.110 9.807 6.277 1.00 0.00 N ATOM 730 CA CYS A 58 5.212 10.568 5.039 1.00 0.00 C ATOM 731 C CYS A 58 6.657 10.999 4.753 1.00 0.00 C ATOM 732 O CYS A 58 7.522 10.892 5.624 1.00 0.00 O ATOM 733 CB CYS A 58 4.328 11.809 5.209 1.00 0.00 C ATOM 734 SG CYS A 58 4.689 12.722 6.767 1.00 0.00 S ATOM 0 H CYS A 58 4.783 10.383 7.053 1.00 0.00 H new ATOM 0 HA CYS A 58 4.892 9.952 4.199 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.475 12.475 4.359 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.280 11.509 5.202 1.00 0.00 H new ATOM 739 N SER A 59 6.909 11.512 3.535 1.00 0.00 N ATOM 740 CA SER A 59 8.252 11.955 3.153 1.00 0.00 C ATOM 741 C SER A 59 8.287 12.879 1.912 1.00 0.00 C ATOM 742 O SER A 59 9.121 13.779 1.833 1.00 0.00 O ATOM 743 CB SER A 59 9.189 10.764 3.013 1.00 0.00 C ATOM 744 OG SER A 59 8.535 9.692 2.362 1.00 0.00 O ATOM 0 H SER A 59 6.203 11.627 2.808 1.00 0.00 H new ATOM 0 HA SER A 59 8.611 12.583 3.968 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.074 11.055 2.447 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.531 10.445 3.998 1.00 0.00 H new ATOM 0 HG SER A 59 9.155 9.261 1.737 1.00 0.00 H new ATOM 750 N ASP A 60 7.394 12.688 0.953 1.00 0.00 N ATOM 751 CA ASP A 60 7.375 13.579 -0.210 1.00 0.00 C ATOM 752 C ASP A 60 6.020 14.208 -0.346 1.00 0.00 C ATOM 753 O ASP A 60 5.804 15.291 0.181 1.00 0.00 O ATOM 754 CB ASP A 60 7.903 12.924 -1.520 1.00 0.00 C ATOM 755 CG ASP A 60 7.314 11.575 -1.824 1.00 0.00 C ATOM 756 OD1 ASP A 60 6.191 11.494 -2.328 1.00 0.00 O ATOM 757 OD2 ASP A 60 7.963 10.554 -1.519 1.00 0.00 O ATOM 0 H ASP A 60 6.691 11.949 0.948 1.00 0.00 H new ATOM 0 HA ASP A 60 8.096 14.376 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.696 13.593 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.986 12.826 -1.451 1.00 0.00 H new ATOM 762 N VAL A 61 5.100 13.552 -1.004 1.00 0.00 N ATOM 763 CA VAL A 61 3.744 14.009 -0.976 1.00 0.00 C ATOM 764 C VAL A 61 3.138 13.459 0.303 1.00 0.00 C ATOM 765 O VAL A 61 3.249 14.069 1.355 1.00 0.00 O ATOM 766 CB VAL A 61 2.912 13.564 -2.220 1.00 0.00 C ATOM 767 CG1 VAL A 61 1.491 14.112 -2.158 1.00 0.00 C ATOM 768 CG2 VAL A 61 3.572 14.025 -3.497 1.00 0.00 C ATOM 0 H VAL A 61 5.265 12.711 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 61 3.727 15.098 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 61 2.869 12.475 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.936 13.785 -3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.997 13.742 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.522 15.201 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.976 13.704 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.648 15.112 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.570 13.592 -3.568 1.00 0.00 H new ATOM 778 N GLN A 62 2.653 12.247 0.249 1.00 0.00 N ATOM 779 CA GLN A 62 2.070 11.639 1.411 1.00 0.00 C ATOM 780 C GLN A 62 1.872 10.118 1.229 1.00 0.00 C ATOM 781 O GLN A 62 2.664 9.350 1.773 1.00 0.00 O ATOM 782 CB GLN A 62 0.782 12.354 1.893 1.00 0.00 C ATOM 783 CG GLN A 62 0.292 11.842 3.225 1.00 0.00 C ATOM 784 CD GLN A 62 -0.872 12.606 3.772 1.00 0.00 C ATOM 785 OE1 GLN A 62 -0.699 13.597 4.481 1.00 0.00 O ATOM 786 NE2 GLN A 62 -2.054 12.147 3.510 1.00 0.00 N ATOM 0 H GLN A 62 2.651 11.663 -0.587 1.00 0.00 H new ATOM 0 HA GLN A 62 2.793 11.769 2.217 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.973 13.425 1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.002 12.222 1.147 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.011 10.794 3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.111 11.882 3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.162 11.323 2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.878 12.609 3.895 1.00 0.00 H new ATOM 795 N PRO A 63 0.892 9.645 0.382 1.00 0.00 N ATOM 796 CA PRO A 63 0.595 8.222 0.270 1.00 0.00 C ATOM 797 C PRO A 63 1.464 7.499 -0.766 1.00 0.00 C ATOM 798 O PRO A 63 1.186 7.562 -1.942 1.00 0.00 O ATOM 799 CB PRO A 63 -0.869 8.213 -0.179 1.00 0.00 C ATOM 800 CG PRO A 63 -1.051 9.471 -0.972 1.00 0.00 C ATOM 801 CD PRO A 63 0.033 10.437 -0.544 1.00 0.00 C ATOM 0 HA PRO A 63 0.790 7.699 1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.089 7.333 -0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.542 8.188 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.981 9.265 -2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.038 9.898 -0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.602 10.801 -1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.387 11.311 -0.046 1.00 0.00 H new ATOM 809 N LYS A 64 2.524 6.852 -0.332 1.00 0.00 N ATOM 810 CA LYS A 64 3.409 6.086 -1.248 1.00 0.00 C ATOM 811 C LYS A 64 3.322 4.623 -0.911 1.00 0.00 C ATOM 812 O LYS A 64 3.115 4.258 0.251 1.00 0.00 O ATOM 813 CB LYS A 64 4.906 6.490 -1.138 1.00 0.00 C ATOM 814 CG LYS A 64 5.296 7.878 -1.643 1.00 0.00 C ATOM 815 CD LYS A 64 4.797 8.995 -0.755 1.00 0.00 C ATOM 816 CE LYS A 64 5.534 9.004 0.563 1.00 0.00 C ATOM 817 NZ LYS A 64 6.996 9.041 0.351 1.00 0.00 N ATOM 0 H LYS A 64 2.812 6.828 0.646 1.00 0.00 H new ATOM 0 HA LYS A 64 3.065 6.305 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.199 6.418 -0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.495 5.754 -1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.382 7.939 -1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.899 8.017 -2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.931 9.953 -1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.728 8.875 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.226 9.869 1.150 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.269 8.117 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.448 9.552 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.366 8.070 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.205 9.528 -0.544 1.00 0.00 H new ATOM 831 N LEU A 65 3.523 3.800 -1.897 1.00 0.00 N ATOM 832 CA LEU A 65 3.435 2.380 -1.729 1.00 0.00 C ATOM 833 C LEU A 65 4.795 1.818 -1.663 1.00 0.00 C ATOM 834 O LEU A 65 5.451 1.712 -2.686 1.00 0.00 O ATOM 835 CB LEU A 65 2.761 1.780 -2.934 1.00 0.00 C ATOM 836 CG LEU A 65 2.248 0.327 -2.794 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.413 0.145 -1.536 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.448 -0.066 -4.027 1.00 0.00 C ATOM 0 H LEU A 65 3.754 4.096 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 65 2.876 2.160 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.916 2.414 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.462 1.814 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 65 3.115 -0.328 -2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.071 -0.888 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.018 0.381 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.551 0.811 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.092 -1.090 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.596 0.605 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.082 0.006 -4.910 1.00 0.00 H new ATOM 850 N TRP A 66 5.264 1.520 -0.513 1.00 0.00 N ATOM 851 CA TRP A 66 6.529 0.883 -0.450 1.00 0.00 C ATOM 852 C TRP A 66 6.315 -0.608 -0.565 1.00 0.00 C ATOM 853 O TRP A 66 5.596 -1.199 0.229 1.00 0.00 O ATOM 854 CB TRP A 66 7.319 1.215 0.841 1.00 0.00 C ATOM 855 CG TRP A 66 8.479 0.287 1.044 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.558 -0.792 1.886 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.675 0.319 0.332 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.759 -1.423 1.714 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.463 -0.751 0.760 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.154 1.155 -0.631 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.710 -0.983 0.230 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.368 0.924 -1.152 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.133 -0.126 -0.736 1.00 0.00 C ATOM 0 H TRP A 66 4.808 1.700 0.381 1.00 0.00 H new ATOM 0 HA TRP A 66 7.136 1.257 -1.275 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.681 2.242 0.791 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.651 1.154 1.700 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.789 -1.097 2.580 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.074 -2.254 2.214 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.564 1.993 -0.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.324 -1.806 0.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.748 1.584 -1.918 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.102 -0.281 -1.187 1.00 0.00 H new ATOM 874 N ALA A 67 6.939 -1.174 -1.525 1.00 0.00 N ATOM 875 CA ALA A 67 6.887 -2.549 -1.780 1.00 0.00 C ATOM 876 C ALA A 67 8.287 -3.066 -1.916 1.00 0.00 C ATOM 877 O ALA A 67 9.119 -2.446 -2.585 1.00 0.00 O ATOM 878 CB ALA A 67 6.125 -2.815 -3.059 1.00 0.00 C ATOM 0 H ALA A 67 7.526 -0.661 -2.183 1.00 0.00 H new ATOM 0 HA ALA A 67 6.378 -3.052 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.092 -3.888 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.109 -2.432 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.624 -2.317 -3.890 1.00 0.00 H new ATOM 884 N ARG A 68 8.578 -4.149 -1.281 1.00 0.00 N ATOM 885 CA ARG A 68 9.824 -4.768 -1.462 1.00 0.00 C ATOM 886 C ARG A 68 9.496 -6.197 -1.576 1.00 0.00 C ATOM 887 O ARG A 68 9.246 -6.858 -0.607 1.00 0.00 O ATOM 888 CB ARG A 68 10.771 -4.549 -0.301 1.00 0.00 C ATOM 889 CG ARG A 68 12.200 -4.894 -0.631 1.00 0.00 C ATOM 890 CD ARG A 68 12.888 -3.726 -1.310 1.00 0.00 C ATOM 891 NE ARG A 68 14.224 -4.054 -1.805 1.00 0.00 N ATOM 892 CZ ARG A 68 15.240 -3.181 -1.835 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.155 -2.040 -1.148 1.00 0.00 N ATOM 894 NH2 ARG A 68 16.354 -3.471 -2.481 1.00 0.00 N ATOM 0 H ARG A 68 7.954 -4.621 -0.626 1.00 0.00 H new ATOM 0 HA ARG A 68 10.340 -4.358 -2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.718 -3.506 0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.444 -5.152 0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.736 -5.159 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.228 -5.768 -1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.273 -3.384 -2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.962 -2.897 -0.606 1.00 0.00 H new ATOM 0 HE ARG A 68 14.392 -5.000 -2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.318 -1.835 -0.602 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.927 -1.373 -1.169 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.446 -4.365 -2.962 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.123 -2.801 -2.499 1.00 0.00 H new ATOM 908 N TYR A 69 9.380 -6.616 -2.748 1.00 0.00 N ATOM 909 CA TYR A 69 8.959 -7.989 -3.070 1.00 0.00 C ATOM 910 C TYR A 69 10.135 -8.932 -2.807 1.00 0.00 C ATOM 911 O TYR A 69 11.271 -8.480 -2.709 1.00 0.00 O ATOM 912 CB TYR A 69 8.610 -8.088 -4.562 1.00 0.00 C ATOM 913 CG TYR A 69 7.830 -6.917 -5.088 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.469 -6.869 -4.995 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.481 -5.850 -5.669 1.00 0.00 C ATOM 916 CE1 TYR A 69 5.768 -5.785 -5.468 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.796 -4.767 -6.139 1.00 0.00 C ATOM 918 CZ TYR A 69 6.434 -4.736 -6.037 1.00 0.00 C ATOM 919 OH TYR A 69 5.730 -3.644 -6.511 1.00 0.00 O ATOM 0 H TYR A 69 9.568 -6.040 -3.569 1.00 0.00 H new ATOM 0 HA TYR A 69 8.094 -8.253 -2.462 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.533 -8.183 -5.135 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.035 -8.999 -4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.936 -7.693 -4.544 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.557 -5.871 -5.754 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.691 -5.762 -5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.327 -3.941 -6.588 1.00 0.00 H new ATOM 0 HH TYR A 69 4.912 -3.528 -5.984 1.00 0.00 H new ATOM 929 N ALA A 70 9.875 -10.221 -2.722 1.00 0.00 N ATOM 930 CA ALA A 70 10.943 -11.211 -2.534 1.00 0.00 C ATOM 931 C ALA A 70 11.479 -11.652 -3.871 1.00 0.00 C ATOM 932 O ALA A 70 12.446 -12.405 -3.956 1.00 0.00 O ATOM 933 CB ALA A 70 10.499 -12.372 -1.669 1.00 0.00 C ATOM 0 H ALA A 70 8.937 -10.618 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 70 11.759 -10.738 -1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.322 -13.078 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.203 -12.002 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.652 -12.872 -2.138 1.00 0.00 H new ATOM 939 N PHE A 71 10.824 -11.175 -4.924 1.00 0.00 N ATOM 940 CA PHE A 71 11.388 -11.202 -6.256 1.00 0.00 C ATOM 941 C PHE A 71 12.629 -10.288 -6.182 1.00 0.00 C ATOM 942 O PHE A 71 13.605 -10.431 -6.918 1.00 0.00 O ATOM 943 CB PHE A 71 10.355 -10.638 -7.251 1.00 0.00 C ATOM 944 CG PHE A 71 10.748 -10.727 -8.698 1.00 0.00 C ATOM 945 CD1 PHE A 71 10.455 -11.860 -9.433 1.00 0.00 C ATOM 946 CD2 PHE A 71 11.394 -9.676 -9.329 1.00 0.00 C ATOM 947 CE1 PHE A 71 10.797 -11.946 -10.763 1.00 0.00 C ATOM 948 CE2 PHE A 71 11.742 -9.758 -10.661 1.00 0.00 C ATOM 949 CZ PHE A 71 11.442 -10.893 -11.379 1.00 0.00 C ATOM 0 H PHE A 71 9.893 -10.762 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 71 11.651 -12.206 -6.588 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.413 -11.169 -7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.170 -9.592 -7.005 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.951 -12.688 -8.957 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.628 -8.782 -8.771 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.561 -12.838 -11.325 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.249 -8.933 -11.140 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.711 -10.960 -12.423 1.00 0.00 H new ATOM 959 N GLY A 72 12.560 -9.375 -5.218 1.00 0.00 N ATOM 960 CA GLY A 72 13.649 -8.543 -4.857 1.00 0.00 C ATOM 961 C GLY A 72 13.600 -7.182 -5.463 1.00 0.00 C ATOM 962 O GLY A 72 14.605 -6.475 -5.492 1.00 0.00 O ATOM 0 H GLY A 72 11.717 -9.207 -4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.674 -8.445 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.578 -9.029 -5.155 1.00 0.00 H new ATOM 966 N GLN A 73 12.438 -6.794 -5.936 1.00 0.00 N ATOM 967 CA GLN A 73 12.280 -5.477 -6.480 1.00 0.00 C ATOM 968 C GLN A 73 11.790 -4.483 -5.444 1.00 0.00 C ATOM 969 O GLN A 73 11.092 -4.845 -4.448 1.00 0.00 O ATOM 970 CB GLN A 73 11.432 -5.435 -7.751 1.00 0.00 C ATOM 971 CG GLN A 73 12.104 -6.083 -8.945 1.00 0.00 C ATOM 972 CD GLN A 73 11.458 -5.701 -10.256 1.00 0.00 C ATOM 973 OE1 GLN A 73 11.830 -4.699 -10.866 1.00 0.00 O ATOM 974 NE2 GLN A 73 10.522 -6.474 -10.714 1.00 0.00 N ATOM 0 H GLN A 73 11.597 -7.371 -5.953 1.00 0.00 H new ATOM 0 HA GLN A 73 13.281 -5.169 -6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.482 -5.936 -7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.203 -4.397 -7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.155 -5.796 -8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.072 -7.167 -8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.236 -7.298 -10.184 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.072 -6.258 -11.604 1.00 0.00 H new ATOM 983 N GLU A 74 12.178 -3.259 -5.676 1.00 0.00 N ATOM 984 CA GLU A 74 11.887 -2.131 -4.850 1.00 0.00 C ATOM 985 C GLU A 74 10.811 -1.280 -5.515 1.00 0.00 C ATOM 986 O GLU A 74 10.878 -1.026 -6.723 1.00 0.00 O ATOM 987 CB GLU A 74 13.178 -1.322 -4.685 1.00 0.00 C ATOM 988 CG GLU A 74 13.026 -0.023 -3.939 1.00 0.00 C ATOM 989 CD GLU A 74 14.325 0.707 -3.774 1.00 0.00 C ATOM 990 OE1 GLU A 74 15.022 0.490 -2.769 1.00 0.00 O ATOM 991 OE2 GLU A 74 14.675 1.526 -4.643 1.00 0.00 O ATOM 0 H GLU A 74 12.737 -3.014 -6.493 1.00 0.00 H new ATOM 0 HA GLU A 74 11.521 -2.450 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.911 -1.939 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.585 -1.110 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.320 0.616 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.598 -0.221 -2.956 1.00 0.00 H new ATOM 998 N THR A 75 9.846 -0.860 -4.743 1.00 0.00 N ATOM 999 CA THR A 75 8.770 -0.052 -5.189 1.00 0.00 C ATOM 1000 C THR A 75 8.439 0.894 -4.058 1.00 0.00 C ATOM 1001 O THR A 75 8.372 0.483 -2.937 1.00 0.00 O ATOM 1002 CB THR A 75 7.555 -0.957 -5.520 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.751 -1.688 -6.744 1.00 0.00 O ATOM 1004 CG2 THR A 75 6.222 -0.217 -5.526 1.00 0.00 C ATOM 0 H THR A 75 9.796 -1.086 -3.750 1.00 0.00 H new ATOM 0 HA THR A 75 9.028 0.507 -6.089 1.00 0.00 H new ATOM 0 HB THR A 75 7.497 -1.674 -4.701 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.190 -2.491 -6.739 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.420 -0.915 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.043 0.218 -4.543 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.249 0.575 -6.274 1.00 0.00 H new ATOM 1012 N ASN A 76 8.353 2.135 -4.339 1.00 0.00 N ATOM 1013 CA ASN A 76 7.985 3.132 -3.345 1.00 0.00 C ATOM 1014 C ASN A 76 7.198 4.229 -4.008 1.00 0.00 C ATOM 1015 O ASN A 76 7.779 5.199 -4.495 1.00 0.00 O ATOM 1016 CB ASN A 76 9.218 3.668 -2.540 1.00 0.00 C ATOM 1017 CG ASN A 76 10.477 3.951 -3.383 1.00 0.00 C ATOM 1018 OD1 ASN A 76 11.426 3.012 -3.415 1.00 0.00 O flip ATOM 1019 ND2 ASN A 76 10.634 5.031 -3.934 1.00 0.00 N flip ATOM 0 H ASN A 76 8.533 2.518 -5.267 1.00 0.00 H new ATOM 0 HA ASN A 76 7.351 2.658 -2.596 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.928 4.586 -2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.472 2.941 -1.768 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.896 5.734 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.503 5.229 -4.430 1.00 0.00 H new ATOM 1026 N VAL A 77 5.853 4.103 -4.060 1.00 0.00 N ATOM 1027 CA VAL A 77 5.147 5.066 -4.942 1.00 0.00 C ATOM 1028 C VAL A 77 3.744 5.515 -4.611 1.00 0.00 C ATOM 1029 O VAL A 77 2.889 4.720 -4.281 1.00 0.00 O ATOM 1030 CB VAL A 77 5.285 4.637 -6.391 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.892 3.176 -6.604 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.623 5.556 -7.420 1.00 0.00 C ATOM 0 H VAL A 77 5.281 3.422 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 77 5.678 5.995 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 77 6.353 4.737 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.008 2.918 -7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.534 2.535 -6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.853 3.032 -6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.783 5.156 -8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.553 5.616 -7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.061 6.552 -7.353 1.00 0.00 H new ATOM 1042 N PRO A 78 3.556 6.856 -4.689 1.00 0.00 N ATOM 1043 CA PRO A 78 2.291 7.550 -4.515 1.00 0.00 C ATOM 1044 C PRO A 78 1.146 6.818 -5.135 1.00 0.00 C ATOM 1045 O PRO A 78 1.078 6.612 -6.352 1.00 0.00 O ATOM 1046 CB PRO A 78 2.540 8.893 -5.183 1.00 0.00 C ATOM 1047 CG PRO A 78 3.967 9.146 -4.872 1.00 0.00 C ATOM 1048 CD PRO A 78 4.630 7.798 -4.976 1.00 0.00 C ATOM 0 HA PRO A 78 2.003 7.641 -3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.360 8.852 -6.257 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.893 9.672 -4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.404 9.857 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.085 9.569 -3.874 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.050 7.635 -5.969 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.449 7.699 -4.263 1.00 0.00 H new ATOM 1056 N LEU A 79 0.263 6.425 -4.288 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.850 5.633 -4.646 1.00 0.00 C ATOM 1058 C LEU A 79 -2.136 6.422 -4.474 1.00 0.00 C ATOM 1059 O LEU A 79 -3.233 5.886 -4.444 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.800 4.273 -3.901 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.544 4.216 -2.370 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -1.495 5.042 -1.581 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.660 2.791 -1.909 1.00 0.00 C ATOM 0 H LEU A 79 0.300 6.656 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.817 5.378 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.750 3.771 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.024 3.674 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 79 0.455 4.619 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.259 4.956 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.412 6.085 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.512 4.692 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.482 2.740 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.660 2.418 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.078 2.179 -2.428 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.948 7.735 -4.480 1.00 0.00 N ATOM 1076 CA ASN A 80 -3.015 8.744 -4.333 1.00 0.00 C ATOM 1077 C ASN A 80 -4.045 8.629 -5.442 1.00 0.00 C ATOM 1078 O ASN A 80 -5.230 8.901 -5.269 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.383 10.167 -4.330 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.296 11.256 -4.913 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -3.271 11.519 -6.110 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -4.066 11.882 -4.100 1.00 0.00 N ATOM 0 H ASN A 80 -1.023 8.151 -4.590 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.529 8.568 -3.388 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.122 10.436 -3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.454 10.142 -4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.679 12.621 -4.445 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.065 11.641 -3.109 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.574 8.215 -6.544 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.351 8.114 -7.764 1.00 0.00 C ATOM 1091 C ASN A 81 -5.309 6.900 -7.759 1.00 0.00 C ATOM 1092 O ASN A 81 -6.267 6.845 -8.538 1.00 0.00 O ATOM 1093 CB ASN A 81 -3.375 8.047 -8.935 1.00 0.00 C ATOM 1094 CG ASN A 81 -4.013 8.067 -10.299 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -5.076 8.653 -10.509 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -3.350 7.454 -11.233 1.00 0.00 N ATOM 0 H ASN A 81 -2.604 7.919 -6.655 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.993 8.990 -7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.685 8.887 -8.861 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.781 7.138 -8.842 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.706 7.444 -12.189 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.473 6.982 -11.011 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.095 5.963 -6.864 1.00 0.00 N ATOM 1104 CA PHE A 82 -5.897 4.776 -6.842 1.00 0.00 C ATOM 1105 C PHE A 82 -6.795 4.805 -5.634 1.00 0.00 C ATOM 1106 O PHE A 82 -6.433 5.339 -4.583 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.032 3.509 -6.832 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.030 3.403 -7.947 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -2.763 3.952 -7.813 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -4.346 2.744 -9.118 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -1.837 3.848 -8.827 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -3.422 2.633 -10.135 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.165 3.187 -9.990 1.00 0.00 C ATOM 0 H PHE A 82 -4.372 6.006 -6.146 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.500 4.751 -7.750 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.500 3.461 -5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.689 2.641 -6.873 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.499 4.468 -6.901 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.328 2.311 -9.239 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.856 4.284 -8.711 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.681 2.113 -11.045 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.441 3.102 -10.787 1.00 0.00 H new ATOM 1123 N SER A 83 -7.968 4.319 -5.810 1.00 0.00 N ATOM 1124 CA SER A 83 -8.939 4.243 -4.750 1.00 0.00 C ATOM 1125 C SER A 83 -8.769 2.916 -3.974 1.00 0.00 C ATOM 1126 O SER A 83 -7.868 2.144 -4.288 1.00 0.00 O ATOM 1127 CB SER A 83 -10.347 4.409 -5.331 1.00 0.00 C ATOM 1128 OG SER A 83 -11.337 4.491 -4.306 1.00 0.00 O ATOM 0 H SER A 83 -8.299 3.954 -6.703 1.00 0.00 H new ATOM 0 HA SER A 83 -8.783 5.052 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.383 5.309 -5.944 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.571 3.568 -5.987 1.00 0.00 H new ATOM 0 HG SER A 83 -12.222 4.598 -4.714 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.655 2.664 -2.998 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.576 1.521 -2.076 1.00 0.00 C ATOM 1136 C ALA A 84 -9.368 0.171 -2.820 1.00 0.00 C ATOM 1137 O ALA A 84 -8.355 -0.570 -2.607 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.863 1.440 -1.299 1.00 0.00 C ATOM 0 H ALA A 84 -10.463 3.262 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.718 1.681 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.820 0.596 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.006 2.362 -0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.696 1.303 -1.988 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.314 -0.141 -3.702 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.283 -1.380 -4.493 1.00 0.00 C ATOM 1146 C ASP A 85 -9.081 -1.394 -5.390 1.00 0.00 C ATOM 1147 O ASP A 85 -8.363 -2.383 -5.450 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.552 -1.574 -5.356 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.803 -1.922 -4.584 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -13.467 -1.009 -4.044 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -13.181 -3.104 -4.546 1.00 0.00 O ATOM 0 H ASP A 85 -11.122 0.451 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.237 -2.200 -3.777 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.734 -0.658 -5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.361 -2.363 -6.084 1.00 0.00 H new ATOM 1156 N GLN A 86 -8.848 -0.281 -6.063 1.00 0.00 N ATOM 1157 CA GLN A 86 -7.727 -0.152 -6.988 1.00 0.00 C ATOM 1158 C GLN A 86 -6.405 -0.368 -6.317 1.00 0.00 C ATOM 1159 O GLN A 86 -5.649 -1.180 -6.787 1.00 0.00 O ATOM 1160 CB GLN A 86 -7.755 1.167 -7.770 1.00 0.00 C ATOM 1161 CG GLN A 86 -8.991 1.345 -8.642 1.00 0.00 C ATOM 1162 CD GLN A 86 -9.155 0.248 -9.689 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -8.064 -0.253 -10.215 1.00 0.00 O flip ATOM 1164 NE2 GLN A 86 -10.270 -0.107 -10.050 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.425 0.557 -5.987 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.849 -0.952 -7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.698 1.996 -7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.867 1.223 -8.400 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -9.876 1.365 -8.006 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.937 2.311 -9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.100 0.302 -9.620 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.369 -0.812 -10.780 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.134 0.310 -5.207 1.00 0.00 N ATOM 1174 CA VAL A 87 -4.872 0.092 -4.513 1.00 0.00 C ATOM 1175 C VAL A 87 -4.744 -1.355 -4.075 1.00 0.00 C ATOM 1176 O VAL A 87 -3.722 -1.944 -4.273 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.594 1.046 -3.298 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.371 2.467 -3.730 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.694 1.002 -2.303 1.00 0.00 C ATOM 0 H VAL A 87 -6.753 0.998 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.110 0.339 -5.252 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.679 0.679 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.183 3.088 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.512 2.513 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.256 2.832 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.465 1.675 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.625 1.312 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.801 -0.014 -1.923 1.00 0.00 H new ATOM 1189 N THR A 88 -5.825 -1.953 -3.566 1.00 0.00 N ATOM 1190 CA THR A 88 -5.741 -3.335 -3.087 1.00 0.00 C ATOM 1191 C THR A 88 -5.592 -4.392 -4.187 1.00 0.00 C ATOM 1192 O THR A 88 -4.793 -5.352 -4.073 1.00 0.00 O ATOM 1193 CB THR A 88 -6.845 -3.682 -2.081 1.00 0.00 C ATOM 1194 OG1 THR A 88 -8.142 -3.309 -2.589 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.592 -2.954 -0.795 1.00 0.00 C ATOM 0 H THR A 88 -6.743 -1.517 -3.476 1.00 0.00 H new ATOM 0 HA THR A 88 -4.795 -3.373 -2.547 1.00 0.00 H new ATOM 0 HB THR A 88 -6.833 -4.759 -1.914 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.266 -2.342 -2.492 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.376 -3.199 -0.078 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.625 -3.253 -0.392 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.592 -1.880 -0.979 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.296 -4.198 -5.232 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.251 -5.103 -6.358 1.00 0.00 C ATOM 1205 C ARG A 89 -4.960 -4.890 -7.135 1.00 0.00 C ATOM 1206 O ARG A 89 -4.331 -5.859 -7.574 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.514 -4.956 -7.236 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.559 -5.817 -8.500 1.00 0.00 C ATOM 1209 CD ARG A 89 -7.327 -7.303 -8.220 1.00 0.00 C ATOM 1210 NE ARG A 89 -8.299 -7.907 -7.298 1.00 0.00 N ATOM 1211 CZ ARG A 89 -8.511 -9.235 -7.202 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -7.978 -10.066 -8.107 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -9.271 -9.721 -6.233 1.00 0.00 N ATOM 0 H ARG A 89 -6.930 -3.408 -5.352 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.251 -6.132 -6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.385 -5.196 -6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.608 -3.910 -7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.527 -5.691 -8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.803 -5.463 -9.201 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.354 -7.847 -9.164 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.326 -7.430 -7.808 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.843 -7.287 -6.698 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.411 -9.694 -8.869 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.139 -11.071 -8.034 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -9.699 -9.090 -5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -9.429 -10.726 -6.164 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.546 -3.639 -7.279 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.257 -3.340 -7.903 1.00 0.00 C ATOM 1229 C ALA A 90 -2.153 -3.870 -7.034 1.00 0.00 C ATOM 1230 O ALA A 90 -1.173 -4.328 -7.558 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.064 -1.855 -8.158 1.00 0.00 C ATOM 0 H ALA A 90 -5.074 -2.820 -6.977 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.235 -3.829 -8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.092 -1.689 -8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.849 -1.495 -8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.112 -1.314 -7.213 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.331 -3.803 -5.686 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.398 -4.439 -4.738 1.00 0.00 C ATOM 1239 C LEU A 91 -1.196 -5.849 -5.126 1.00 0.00 C ATOM 1240 O LEU A 91 -0.121 -6.242 -5.464 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.914 -4.458 -3.275 1.00 0.00 C ATOM 1242 CG LEU A 91 -1.824 -3.184 -2.464 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -2.688 -3.314 -1.230 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -0.397 -2.960 -2.045 1.00 0.00 C ATOM 0 H LEU A 91 -3.110 -3.316 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.483 -3.847 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.960 -4.765 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.365 -5.232 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.167 -2.343 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.625 -2.397 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.723 -3.485 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.340 -4.154 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.329 -2.043 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.059 -3.801 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.233 -2.873 -2.930 1.00 0.00 H new ATOM 1256 N GLU A 92 -2.262 -6.584 -5.151 1.00 0.00 N ATOM 1257 CA GLU A 92 -2.186 -8.026 -5.371 1.00 0.00 C ATOM 1258 C GLU A 92 -1.547 -8.308 -6.731 1.00 0.00 C ATOM 1259 O GLU A 92 -0.665 -9.176 -6.853 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.591 -8.625 -5.190 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.695 -10.107 -4.834 1.00 0.00 C ATOM 1262 CD GLU A 92 -3.307 -11.053 -5.932 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -4.121 -11.283 -6.855 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -2.221 -11.642 -5.854 1.00 0.00 O ATOM 0 H GLU A 92 -3.208 -6.224 -5.023 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.541 -8.513 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.099 -8.057 -4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.145 -8.463 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.063 -10.302 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.721 -10.322 -4.536 1.00 0.00 H new ATOM 1271 N ASN A 93 -1.931 -7.528 -7.700 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.325 -7.572 -9.009 1.00 0.00 C ATOM 1273 C ASN A 93 0.188 -7.365 -8.898 1.00 0.00 C ATOM 1274 O ASN A 93 0.998 -8.319 -9.139 1.00 0.00 O ATOM 1275 CB ASN A 93 -1.976 -6.516 -9.923 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.179 -7.047 -10.674 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.051 -7.607 -11.758 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.348 -6.871 -10.120 1.00 0.00 N ATOM 0 H ASN A 93 -2.677 -6.838 -7.609 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.493 -8.553 -9.454 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.279 -5.659 -9.321 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.237 -6.157 -10.639 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.190 -7.203 -10.590 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.419 -6.401 -9.217 1.00 0.00 H new ATOM 1285 N VAL A 94 0.571 -6.186 -8.405 1.00 0.00 N ATOM 1286 CA VAL A 94 1.954 -5.824 -8.286 1.00 0.00 C ATOM 1287 C VAL A 94 2.755 -6.743 -7.467 1.00 0.00 C ATOM 1288 O VAL A 94 3.847 -7.170 -7.877 1.00 0.00 O ATOM 1289 CB VAL A 94 2.263 -4.377 -7.843 1.00 0.00 C ATOM 1290 CG1 VAL A 94 1.923 -3.365 -8.916 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.640 -3.979 -6.513 1.00 0.00 C ATOM 0 H VAL A 94 -0.079 -5.469 -8.082 1.00 0.00 H new ATOM 0 HA VAL A 94 2.254 -5.905 -9.331 1.00 0.00 H new ATOM 0 HB VAL A 94 3.342 -4.368 -7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.158 -2.363 -8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.506 -3.576 -9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.860 -3.427 -9.151 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.908 -2.949 -6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.555 -4.066 -6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.010 -4.637 -5.727 1.00 0.00 H new ATOM 1301 N LEU A 95 2.244 -7.112 -6.369 1.00 0.00 N ATOM 1302 CA LEU A 95 3.075 -7.775 -5.452 1.00 0.00 C ATOM 1303 C LEU A 95 2.976 -9.225 -5.425 1.00 0.00 C ATOM 1304 O LEU A 95 3.687 -9.872 -4.669 1.00 0.00 O ATOM 1305 CB LEU A 95 3.021 -7.151 -4.099 1.00 0.00 C ATOM 1306 CG LEU A 95 1.645 -7.034 -3.449 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.077 -8.350 -2.932 1.00 0.00 C ATOM 1308 CD2 LEU A 95 1.632 -5.961 -2.414 1.00 0.00 C ATOM 0 H LEU A 95 1.275 -6.973 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 95 4.080 -7.621 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.663 -7.728 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.450 -6.151 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 95 0.962 -6.744 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.098 -8.174 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.978 -9.053 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.748 -8.766 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.640 -5.899 -1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.365 -6.192 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.882 -5.006 -2.877 1.00 0.00 H new ATOM 1320 N SER A 96 2.116 -9.762 -6.129 1.00 0.00 N ATOM 1321 CA SER A 96 2.216 -11.147 -6.219 1.00 0.00 C ATOM 1322 C SER A 96 2.974 -11.494 -7.484 1.00 0.00 C ATOM 1323 O SER A 96 3.667 -12.524 -7.533 1.00 0.00 O ATOM 1324 CB SER A 96 0.888 -11.839 -6.104 1.00 0.00 C ATOM 1325 OG SER A 96 0.207 -11.428 -4.923 1.00 0.00 O ATOM 0 H SER A 96 1.359 -9.307 -6.639 1.00 0.00 H new ATOM 0 HA SER A 96 2.778 -11.524 -5.364 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.278 -11.614 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.035 -12.919 -6.088 1.00 0.00 H new ATOM 0 HG SER A 96 -0.735 -11.694 -4.979 1.00 0.00 H new ATOM 1331 N GLY A 97 2.902 -10.626 -8.503 1.00 0.00 N ATOM 1332 CA GLY A 97 3.697 -10.919 -9.644 1.00 0.00 C ATOM 1333 C GLY A 97 3.740 -9.849 -10.679 1.00 0.00 C ATOM 1334 O GLY A 97 3.774 -10.164 -11.871 1.00 0.00 O ATOM 0 H GLY A 97 2.335 -9.779 -8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.715 -11.124 -9.314 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.321 -11.833 -10.104 1.00 0.00 H new ATOM 1338 N LYS A 98 3.758 -8.582 -10.302 1.00 0.00 N ATOM 1339 CA LYS A 98 3.843 -7.584 -11.389 1.00 0.00 C ATOM 1340 C LYS A 98 5.260 -7.196 -11.517 1.00 0.00 C ATOM 1341 O LYS A 98 5.837 -7.165 -12.598 1.00 0.00 O ATOM 1342 CB LYS A 98 2.971 -6.367 -11.126 1.00 0.00 C ATOM 1343 CG LYS A 98 2.495 -5.559 -12.343 1.00 0.00 C ATOM 1344 CD LYS A 98 3.610 -4.849 -13.096 1.00 0.00 C ATOM 1345 CE LYS A 98 3.059 -4.082 -14.294 1.00 0.00 C ATOM 1346 NZ LYS A 98 2.324 -4.966 -15.228 1.00 0.00 N ATOM 0 H LYS A 98 3.720 -8.227 -9.347 1.00 0.00 H new ATOM 0 HA LYS A 98 3.471 -8.022 -12.315 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.090 -6.697 -10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.522 -5.694 -10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.978 -6.229 -13.030 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.767 -4.818 -12.011 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.126 -4.162 -12.426 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.347 -5.578 -13.434 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.395 -3.292 -13.944 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.880 -3.598 -14.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.217 -4.489 -16.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.854 -5.852 -15.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.384 -5.179 -14.837 1.00 0.00 H new ATOM 1360 N ALA A 99 5.796 -6.951 -10.409 1.00 0.00 N ATOM 1361 CA ALA A 99 7.151 -6.573 -10.263 1.00 0.00 C ATOM 1362 C ALA A 99 7.877 -7.694 -9.559 1.00 0.00 C ATOM 1363 O ALA A 99 8.509 -8.519 -10.244 1.00 0.00 O ATOM 1364 CB ALA A 99 7.242 -5.278 -9.488 1.00 0.00 C ATOM 1365 OXT ALA A 99 7.751 -7.810 -8.342 1.00 0.00 O ATOM 0 H ALA A 99 5.292 -7.006 -9.524 1.00 0.00 H new ATOM 0 HA ALA A 99 7.614 -6.403 -11.235 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.288 -4.992 -9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.706 -4.495 -10.024 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.798 -5.412 -8.502 1.00 0.00 H new