USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 584 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 37 SER OG : rot -92:sc= 1.22 USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 1.03 USER MOD Set 2.1: A 70 THR OG1 : rot -60:sc= 0.981 USER MOD Set 2.2: A 71 SER OG : rot -170:sc= 0.766 USER MOD Set 2.3: A 74 LYS NZ :NH3+ 163:sc= 1.28 (180deg=0.257) USER MOD Set 3.1: A 45 SER OG : rot 73:sc= 1.68 USER MOD Set 3.2: A 58 THR OG1 : rot 86:sc= 0.914 USER MOD Set 4.1: A 26 LYS NZ :NH3+ -171:sc= 0.853 (180deg=0.806) USER MOD Set 4.2: A 57 HIS : no HD1:sc= -0.0237 K(o=0.83,f=-3.1!) USER MOD Single : A 1 ALA N :NH3+ -170:sc= 0 (180deg=-0.0946) USER MOD Single : A 4 THR OG1 : rot 45:sc= 0.596 USER MOD Single : A 12 GLN : amide:sc= 2.61 K(o=2.6,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -78:sc= 0.976 USER MOD Single : A 22 SER OG : rot 160:sc= 0.858 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 32 THR OG1 : rot 71:sc= 0.638 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.266 USER MOD Single : A 42 HIS : no HD1:sc= -0.823 K(o=-0.82,f=-9!) USER MOD Single : A 46 HIS : no HD1:sc= 0.511 K(o=0.51,f=-8.1!) USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= 0.759 (180deg=0.361) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 1.15 K(o=1.1,f=-2.9!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0.776 K(o=0.78,f=-6.1!) USER MOD Single : A 64 ASN : amide:sc= 1.21 K(o=1.2,f=-0.55) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.41 F(o=-3.2,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0252) USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0.399 (180deg=0.348) USER MOD Single : A 80 LYS NZ :NH3+ 134:sc= 0.94 (180deg=-0.735) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.088 -1.870 -2.172 1.00 0.00 N ATOM 2 CA ALA A 1 17.757 -1.665 -1.617 1.00 0.00 C ATOM 3 C ALA A 1 17.503 -0.176 -1.372 1.00 0.00 C ATOM 4 O ALA A 1 16.432 0.335 -1.682 1.00 0.00 O ATOM 5 CB ALA A 1 17.612 -2.463 -0.318 1.00 0.00 C ATOM 0 H1 ALA A 1 19.184 -2.856 -2.489 1.00 0.00 H new ATOM 0 H2 ALA A 1 19.229 -1.231 -2.980 1.00 0.00 H new ATOM 0 H3 ALA A 1 19.803 -1.670 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 1 17.014 -2.019 -2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.615 -2.308 0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.758 -3.523 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.359 -2.127 0.401 1.00 0.00 H new ATOM 12 N VAL A 2 18.508 0.517 -0.828 1.00 0.00 N ATOM 13 CA VAL A 2 18.434 1.934 -0.497 1.00 0.00 C ATOM 14 C VAL A 2 17.991 2.787 -1.693 1.00 0.00 C ATOM 15 O VAL A 2 17.227 3.738 -1.520 1.00 0.00 O ATOM 16 CB VAL A 2 19.767 2.420 0.105 1.00 0.00 C ATOM 17 CG1 VAL A 2 20.051 1.703 1.432 1.00 0.00 C ATOM 18 CG2 VAL A 2 20.968 2.244 -0.836 1.00 0.00 C ATOM 0 H VAL A 2 19.410 0.097 -0.603 1.00 0.00 H new ATOM 0 HA VAL A 2 17.662 2.059 0.262 1.00 0.00 H new ATOM 0 HB VAL A 2 19.645 3.490 0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 2 20.996 2.059 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.247 1.912 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 2 20.112 0.629 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 2 21.871 2.608 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 2 21.087 1.188 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 2 20.799 2.811 -1.751 1.00 0.00 H new ATOM 28 N ILE A 3 18.482 2.448 -2.891 1.00 0.00 N ATOM 29 CA ILE A 3 18.209 3.152 -4.137 1.00 0.00 C ATOM 30 C ILE A 3 16.704 3.360 -4.353 1.00 0.00 C ATOM 31 O ILE A 3 15.965 2.400 -4.564 1.00 0.00 O ATOM 32 CB ILE A 3 18.906 2.438 -5.314 1.00 0.00 C ATOM 33 CG1 ILE A 3 18.732 3.260 -6.603 1.00 0.00 C ATOM 34 CG2 ILE A 3 18.439 0.985 -5.515 1.00 0.00 C ATOM 35 CD1 ILE A 3 19.595 2.737 -7.755 1.00 0.00 C ATOM 0 H ILE A 3 19.101 1.647 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 3 18.632 4.155 -4.077 1.00 0.00 H new ATOM 0 HB ILE A 3 19.965 2.373 -5.063 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.684 3.243 -6.902 1.00 0.00 H new ATOM 0 HG13 ILE A 3 18.990 4.300 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.971 0.545 -6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 3 18.648 0.408 -4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.367 0.971 -5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 3 19.433 3.353 -8.639 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.646 2.779 -7.470 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.320 1.706 -7.976 1.00 0.00 H new ATOM 47 N THR A 4 16.279 4.629 -4.322 1.00 0.00 N ATOM 48 CA THR A 4 14.907 5.090 -4.473 1.00 0.00 C ATOM 49 C THR A 4 14.254 4.452 -5.701 1.00 0.00 C ATOM 50 O THR A 4 14.419 4.939 -6.820 1.00 0.00 O ATOM 51 CB THR A 4 14.927 6.620 -4.587 1.00 0.00 C ATOM 52 OG1 THR A 4 15.821 6.983 -5.619 1.00 0.00 O ATOM 53 CG2 THR A 4 15.400 7.286 -3.290 1.00 0.00 C ATOM 0 H THR A 4 16.929 5.403 -4.182 1.00 0.00 H new ATOM 0 HA THR A 4 14.314 4.795 -3.607 1.00 0.00 H new ATOM 0 HB THR A 4 13.911 6.955 -4.795 1.00 0.00 H new ATOM 0 HG1 THR A 4 15.666 6.414 -6.402 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.399 8.369 -3.416 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.728 7.014 -2.476 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.410 6.949 -3.055 1.00 0.00 H new ATOM 61 N GLY A 5 13.526 3.363 -5.473 1.00 0.00 N ATOM 62 CA GLY A 5 12.884 2.534 -6.478 1.00 0.00 C ATOM 63 C GLY A 5 12.672 1.212 -5.764 1.00 0.00 C ATOM 64 O GLY A 5 11.541 0.759 -5.588 1.00 0.00 O ATOM 0 H GLY A 5 13.361 3.019 -4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.940 2.966 -6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 5 13.511 2.417 -7.362 1.00 0.00 H new ATOM 68 N ALA A 6 13.787 0.643 -5.295 1.00 0.00 N ATOM 69 CA ALA A 6 13.754 -0.428 -4.318 1.00 0.00 C ATOM 70 C ALA A 6 13.518 0.305 -2.994 1.00 0.00 C ATOM 71 O ALA A 6 13.771 1.513 -2.919 1.00 0.00 O ATOM 72 CB ALA A 6 15.074 -1.198 -4.333 1.00 0.00 C ATOM 0 H ALA A 6 14.726 0.915 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 6 12.985 -1.177 -4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.036 -1.999 -3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.235 -1.624 -5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.893 -0.521 -4.091 1.00 0.00 H new ATOM 78 N CYS A 7 12.904 -0.342 -2.001 1.00 0.00 N ATOM 79 CA CYS A 7 12.617 0.364 -0.758 1.00 0.00 C ATOM 80 C CYS A 7 12.761 -0.475 0.510 1.00 0.00 C ATOM 81 O CYS A 7 13.024 -1.673 0.464 1.00 0.00 O ATOM 82 CB CYS A 7 11.228 0.984 -0.873 1.00 0.00 C ATOM 83 SG CYS A 7 9.901 -0.228 -0.755 1.00 0.00 S ATOM 0 H CYS A 7 12.607 -1.317 -2.031 1.00 0.00 H new ATOM 0 HA CYS A 7 13.378 1.135 -0.638 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.103 1.729 -0.087 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.149 1.509 -1.825 1.00 0.00 H new ATOM 88 N GLU A 8 12.588 0.211 1.644 1.00 0.00 N ATOM 89 CA GLU A 8 12.493 -0.281 3.013 1.00 0.00 C ATOM 90 C GLU A 8 11.405 0.542 3.723 1.00 0.00 C ATOM 91 O GLU A 8 10.538 -0.015 4.404 1.00 0.00 O ATOM 92 CB GLU A 8 13.821 -0.161 3.778 1.00 0.00 C ATOM 93 CG GLU A 8 15.011 -0.856 3.103 1.00 0.00 C ATOM 94 CD GLU A 8 15.827 0.117 2.258 1.00 0.00 C ATOM 95 OE1 GLU A 8 16.645 0.842 2.864 1.00 0.00 O ATOM 96 OE2 GLU A 8 15.616 0.138 1.028 1.00 0.00 O ATOM 0 H GLU A 8 12.503 1.227 1.618 1.00 0.00 H new ATOM 0 HA GLU A 8 12.246 -1.342 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.058 0.895 3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.690 -0.580 4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.651 -1.303 3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.649 -1.669 2.474 1.00 0.00 H new ATOM 103 N ARG A 9 11.469 1.876 3.559 1.00 0.00 N ATOM 104 CA ARG A 9 10.507 2.837 4.085 1.00 0.00 C ATOM 105 C ARG A 9 10.028 3.776 2.973 1.00 0.00 C ATOM 106 O ARG A 9 10.746 4.039 2.006 1.00 0.00 O ATOM 107 CB ARG A 9 11.064 3.621 5.285 1.00 0.00 C ATOM 108 CG ARG A 9 12.201 4.613 4.991 1.00 0.00 C ATOM 109 CD ARG A 9 13.598 3.991 4.974 1.00 0.00 C ATOM 110 NE ARG A 9 14.600 5.011 4.629 1.00 0.00 N ATOM 111 CZ ARG A 9 15.770 4.794 4.009 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.150 3.561 3.660 1.00 0.00 N ATOM 113 NH2 ARG A 9 16.565 5.832 3.733 1.00 0.00 N ATOM 0 H ARG A 9 12.223 2.321 3.036 1.00 0.00 H new ATOM 0 HA ARG A 9 9.649 2.276 4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.242 4.171 5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.420 2.904 6.025 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.015 5.083 4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.179 5.404 5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.826 3.562 5.950 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.633 3.176 4.251 1.00 0.00 H new ATOM 0 HE ARG A 9 14.385 5.975 4.885 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.547 2.764 3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.043 3.417 3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.280 6.776 3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.457 5.680 3.262 1.00 0.00 H new ATOM 127 N ASP A 10 8.818 4.314 3.147 1.00 0.00 N ATOM 128 CA ASP A 10 8.124 5.170 2.182 1.00 0.00 C ATOM 129 C ASP A 10 8.911 6.424 1.817 1.00 0.00 C ATOM 130 O ASP A 10 8.728 6.973 0.732 1.00 0.00 O ATOM 131 CB ASP A 10 6.768 5.599 2.742 1.00 0.00 C ATOM 132 CG ASP A 10 6.010 4.450 3.376 1.00 0.00 C ATOM 133 OD1 ASP A 10 5.543 3.555 2.631 1.00 0.00 O ATOM 134 OD2 ASP A 10 6.013 4.455 4.626 1.00 0.00 O ATOM 0 H ASP A 10 8.275 4.159 3.996 1.00 0.00 H new ATOM 0 HA ASP A 10 8.006 4.573 1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.917 6.384 3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.167 6.028 1.940 1.00 0.00 H new ATOM 139 N LEU A 11 9.760 6.893 2.736 1.00 0.00 N ATOM 140 CA LEU A 11 10.603 8.067 2.549 1.00 0.00 C ATOM 141 C LEU A 11 11.433 7.951 1.264 1.00 0.00 C ATOM 142 O LEU A 11 11.717 8.958 0.621 1.00 0.00 O ATOM 143 CB LEU A 11 11.492 8.248 3.789 1.00 0.00 C ATOM 144 CG LEU A 11 12.383 9.502 3.763 1.00 0.00 C ATOM 145 CD1 LEU A 11 11.562 10.795 3.693 1.00 0.00 C ATOM 146 CD2 LEU A 11 13.246 9.520 5.030 1.00 0.00 C ATOM 0 H LEU A 11 9.879 6.454 3.649 1.00 0.00 H new ATOM 0 HA LEU A 11 9.976 8.951 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.855 8.289 4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.128 7.369 3.895 1.00 0.00 H new ATOM 0 HG LEU A 11 13.002 9.457 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.235 11.653 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.956 10.792 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.911 10.861 4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.883 10.405 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.602 9.543 5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.868 8.625 5.059 1.00 0.00 H new ATOM 158 N GLN A 12 11.801 6.727 0.868 1.00 0.00 N ATOM 159 CA GLN A 12 12.567 6.488 -0.351 1.00 0.00 C ATOM 160 C GLN A 12 11.706 6.624 -1.616 1.00 0.00 C ATOM 161 O GLN A 12 12.215 6.423 -2.718 1.00 0.00 O ATOM 162 CB GLN A 12 13.136 5.066 -0.300 1.00 0.00 C ATOM 163 CG GLN A 12 14.055 4.825 0.901 1.00 0.00 C ATOM 164 CD GLN A 12 14.319 3.335 1.040 1.00 0.00 C ATOM 165 OE1 GLN A 12 13.680 2.669 1.852 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.220 2.789 0.233 1.00 0.00 N ATOM 0 H GLN A 12 11.574 5.878 1.386 1.00 0.00 H new ATOM 0 HA GLN A 12 13.358 7.236 -0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.312 4.353 -0.267 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.690 4.871 -1.218 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.994 5.362 0.768 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.593 5.211 1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.732 3.372 -0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.401 1.786 0.275 1.00 0.00 H new ATOM 175 N CYS A 13 10.411 6.922 -1.465 1.00 0.00 N ATOM 176 CA CYS A 13 9.433 6.946 -2.539 1.00 0.00 C ATOM 177 C CYS A 13 8.678 8.274 -2.509 1.00 0.00 C ATOM 178 O CYS A 13 8.940 9.155 -3.326 1.00 0.00 O ATOM 179 CB CYS A 13 8.508 5.731 -2.361 1.00 0.00 C ATOM 180 SG CYS A 13 9.358 4.146 -2.172 1.00 0.00 S ATOM 0 H CYS A 13 10.009 7.160 -0.558 1.00 0.00 H new ATOM 0 HA CYS A 13 9.906 6.876 -3.518 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.880 5.896 -1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.844 5.670 -3.223 1.00 0.00 H new ATOM 185 N GLY A 14 7.767 8.439 -1.546 1.00 0.00 N ATOM 186 CA GLY A 14 6.988 9.651 -1.337 1.00 0.00 C ATOM 187 C GLY A 14 6.050 10.032 -2.482 1.00 0.00 C ATOM 188 O GLY A 14 4.832 9.901 -2.384 1.00 0.00 O ATOM 0 H GLY A 14 7.548 7.706 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.396 9.530 -0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.675 10.479 -1.162 1.00 0.00 H new ATOM 192 N LYS A 15 6.640 10.567 -3.545 1.00 0.00 N ATOM 193 CA LYS A 15 5.993 11.105 -4.738 1.00 0.00 C ATOM 194 C LYS A 15 4.891 10.173 -5.254 1.00 0.00 C ATOM 195 O LYS A 15 5.163 9.253 -6.023 1.00 0.00 O ATOM 196 CB LYS A 15 7.061 11.388 -5.803 1.00 0.00 C ATOM 197 CG LYS A 15 6.479 12.177 -6.985 1.00 0.00 C ATOM 198 CD LYS A 15 7.469 12.283 -8.150 1.00 0.00 C ATOM 199 CE LYS A 15 8.738 13.060 -7.779 1.00 0.00 C ATOM 200 NZ LYS A 15 9.603 13.261 -8.955 1.00 0.00 N ATOM 0 H LYS A 15 7.656 10.642 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 15 5.496 12.042 -4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.881 11.950 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.478 10.447 -6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.565 11.692 -7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.203 13.178 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.745 11.281 -8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.981 12.773 -8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.465 14.027 -7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.287 12.518 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.454 13.789 -8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.882 12.337 -9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.085 13.799 -9.679 1.00 0.00 H new ATOM 214 N GLY A 16 3.651 10.414 -4.813 1.00 0.00 N ATOM 215 CA GLY A 16 2.469 9.621 -5.135 1.00 0.00 C ATOM 216 C GLY A 16 2.697 8.120 -4.933 1.00 0.00 C ATOM 217 O GLY A 16 2.035 7.300 -5.572 1.00 0.00 O ATOM 0 H GLY A 16 3.440 11.200 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.636 9.946 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.183 9.806 -6.170 1.00 0.00 H new ATOM 221 N THR A 17 3.638 7.754 -4.060 1.00 0.00 N ATOM 222 CA THR A 17 4.021 6.375 -3.828 1.00 0.00 C ATOM 223 C THR A 17 4.293 6.154 -2.345 1.00 0.00 C ATOM 224 O THR A 17 4.460 7.101 -1.581 1.00 0.00 O ATOM 225 CB THR A 17 5.304 6.067 -4.633 1.00 0.00 C ATOM 226 OG1 THR A 17 6.217 7.140 -4.500 1.00 0.00 O ATOM 227 CG2 THR A 17 5.079 5.851 -6.130 1.00 0.00 C ATOM 0 H THR A 17 4.158 8.422 -3.491 1.00 0.00 H new ATOM 0 HA THR A 17 3.213 5.716 -4.145 1.00 0.00 H new ATOM 0 HB THR A 17 5.684 5.134 -4.217 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.939 7.880 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.032 5.641 -6.615 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.403 5.009 -6.279 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.641 6.749 -6.565 1.00 0.00 H new ATOM 235 N CYS A 18 4.354 4.886 -1.950 1.00 0.00 N ATOM 236 CA CYS A 18 4.758 4.445 -0.630 1.00 0.00 C ATOM 237 C CYS A 18 5.612 3.196 -0.859 1.00 0.00 C ATOM 238 O CYS A 18 5.616 2.645 -1.962 1.00 0.00 O ATOM 239 CB CYS A 18 3.540 4.198 0.272 1.00 0.00 C ATOM 240 SG CYS A 18 3.170 2.466 0.570 1.00 0.00 S ATOM 0 H CYS A 18 4.113 4.112 -2.569 1.00 0.00 H new ATOM 0 HA CYS A 18 5.336 5.201 -0.098 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.708 4.690 1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.668 4.670 -0.180 1.00 0.00 H new ATOM 245 N CYS A 19 6.355 2.740 0.140 1.00 0.00 N ATOM 246 CA CYS A 19 7.185 1.558 -0.017 1.00 0.00 C ATOM 247 C CYS A 19 6.328 0.332 0.256 1.00 0.00 C ATOM 248 O CYS A 19 5.552 0.357 1.208 1.00 0.00 O ATOM 249 CB CYS A 19 8.329 1.627 0.986 1.00 0.00 C ATOM 250 SG CYS A 19 9.214 0.069 1.168 1.00 0.00 S ATOM 0 H CYS A 19 6.399 3.170 1.064 1.00 0.00 H new ATOM 0 HA CYS A 19 7.594 1.502 -1.026 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.030 2.401 0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.934 1.928 1.956 1.00 0.00 H new ATOM 255 N ALA A 20 6.402 -0.731 -0.551 1.00 0.00 N ATOM 256 CA ALA A 20 5.640 -1.936 -0.250 1.00 0.00 C ATOM 257 C ALA A 20 6.276 -3.168 -0.879 1.00 0.00 C ATOM 258 O ALA A 20 7.032 -3.062 -1.842 1.00 0.00 O ATOM 259 CB ALA A 20 4.187 -1.795 -0.709 1.00 0.00 C ATOM 0 H ALA A 20 6.969 -0.778 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 20 5.650 -2.065 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.641 -2.708 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.724 -0.952 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.160 -1.625 -1.785 1.00 0.00 H new ATOM 265 N VAL A 21 5.985 -4.336 -0.302 1.00 0.00 N ATOM 266 CA VAL A 21 6.444 -5.625 -0.796 1.00 0.00 C ATOM 267 C VAL A 21 6.024 -5.764 -2.267 1.00 0.00 C ATOM 268 O VAL A 21 4.944 -5.318 -2.642 1.00 0.00 O ATOM 269 CB VAL A 21 5.882 -6.760 0.085 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.497 -8.103 -0.319 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.173 -6.521 1.577 1.00 0.00 C ATOM 0 H VAL A 21 5.412 -4.408 0.539 1.00 0.00 H new ATOM 0 HA VAL A 21 7.531 -5.693 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 21 4.803 -6.776 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.091 -8.894 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.260 -8.313 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.579 -8.060 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.761 -7.342 2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.250 -6.468 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.714 -5.584 1.892 1.00 0.00 H new ATOM 281 N SER A 22 6.871 -6.344 -3.121 1.00 0.00 N ATOM 282 CA SER A 22 6.526 -6.527 -4.522 1.00 0.00 C ATOM 283 C SER A 22 5.325 -7.468 -4.617 1.00 0.00 C ATOM 284 O SER A 22 5.231 -8.465 -3.902 1.00 0.00 O ATOM 285 CB SER A 22 7.725 -7.057 -5.325 1.00 0.00 C ATOM 286 OG SER A 22 7.319 -7.584 -6.586 1.00 0.00 O ATOM 0 H SER A 22 7.795 -6.691 -2.863 1.00 0.00 H new ATOM 0 HA SER A 22 6.259 -5.565 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.444 -6.253 -5.480 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.233 -7.833 -4.752 1.00 0.00 H new ATOM 0 HG SER A 22 8.089 -7.613 -7.191 1.00 0.00 H new ATOM 292 N LEU A 23 4.381 -7.135 -5.494 1.00 0.00 N ATOM 293 CA LEU A 23 3.217 -7.965 -5.754 1.00 0.00 C ATOM 294 C LEU A 23 3.630 -9.170 -6.609 1.00 0.00 C ATOM 295 O LEU A 23 2.877 -10.137 -6.687 1.00 0.00 O ATOM 296 CB LEU A 23 2.136 -7.128 -6.465 1.00 0.00 C ATOM 297 CG LEU A 23 1.382 -6.108 -5.586 1.00 0.00 C ATOM 298 CD1 LEU A 23 0.494 -6.779 -4.529 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.295 -5.089 -4.899 1.00 0.00 C ATOM 0 H LEU A 23 4.406 -6.277 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 23 2.804 -8.333 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.605 -6.591 -7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.407 -7.810 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 23 0.751 -5.569 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.012 -6.014 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.248 -7.407 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.110 -7.393 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.692 -4.407 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.002 -5.611 -4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.841 -4.523 -5.654 1.00 0.00 H new ATOM 311 N TRP A 24 4.818 -9.128 -7.232 1.00 0.00 N ATOM 312 CA TRP A 24 5.273 -10.137 -8.180 1.00 0.00 C ATOM 313 C TRP A 24 6.320 -11.053 -7.548 1.00 0.00 C ATOM 314 O TRP A 24 6.109 -12.262 -7.482 1.00 0.00 O ATOM 315 CB TRP A 24 5.748 -9.439 -9.468 1.00 0.00 C ATOM 316 CG TRP A 24 4.960 -8.208 -9.822 1.00 0.00 C ATOM 317 CD1 TRP A 24 5.483 -6.979 -10.034 1.00 0.00 C ATOM 318 CD2 TRP A 24 3.510 -8.024 -9.820 1.00 0.00 C ATOM 319 NE1 TRP A 24 4.471 -6.044 -10.113 1.00 0.00 N ATOM 320 CE2 TRP A 24 3.234 -6.633 -9.950 1.00 0.00 C ATOM 321 CE3 TRP A 24 2.401 -8.879 -9.638 1.00 0.00 C ATOM 322 CZ2 TRP A 24 1.932 -6.118 -9.856 1.00 0.00 C ATOM 323 CZ3 TRP A 24 1.089 -8.379 -9.589 1.00 0.00 C ATOM 324 CH2 TRP A 24 0.857 -6.997 -9.662 1.00 0.00 C ATOM 0 H TRP A 24 5.494 -8.378 -7.084 1.00 0.00 H new ATOM 0 HA TRP A 24 4.450 -10.797 -8.455 1.00 0.00 H new ATOM 0 HB2 TRP A 24 6.797 -9.166 -9.356 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.689 -10.146 -10.295 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.537 -6.761 -10.128 1.00 0.00 H new ATOM 0 HE1 TRP A 24 4.618 -5.047 -10.271 1.00 0.00 H new ATOM 0 HE3 TRP A 24 2.565 -9.941 -9.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.760 -5.055 -9.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 0.256 -9.060 -9.495 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.147 -6.611 -9.569 1.00 0.00 H new ATOM 335 N ILE A 25 7.434 -10.494 -7.061 1.00 0.00 N ATOM 336 CA ILE A 25 8.496 -11.250 -6.419 1.00 0.00 C ATOM 337 C ILE A 25 8.580 -10.764 -4.975 1.00 0.00 C ATOM 338 O ILE A 25 9.381 -9.900 -4.630 1.00 0.00 O ATOM 339 CB ILE A 25 9.798 -11.157 -7.237 1.00 0.00 C ATOM 340 CG1 ILE A 25 10.810 -12.160 -6.670 1.00 0.00 C ATOM 341 CG2 ILE A 25 10.409 -9.754 -7.313 1.00 0.00 C ATOM 342 CD1 ILE A 25 12.050 -12.311 -7.554 1.00 0.00 C ATOM 0 H ILE A 25 7.618 -9.492 -7.106 1.00 0.00 H new ATOM 0 HA ILE A 25 8.294 -12.321 -6.387 1.00 0.00 H new ATOM 0 HB ILE A 25 9.540 -11.401 -8.267 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.116 -11.838 -5.674 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.329 -13.131 -6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.321 -9.786 -7.908 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.697 -9.072 -7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.644 -9.405 -6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.732 -13.033 -7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.752 -12.660 -8.542 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.551 -11.347 -7.646 1.00 0.00 H new ATOM 354 N LYS A 26 7.735 -11.351 -4.128 1.00 0.00 N ATOM 355 CA LYS A 26 7.535 -10.997 -2.729 1.00 0.00 C ATOM 356 C LYS A 26 8.831 -10.867 -1.913 1.00 0.00 C ATOM 357 O LYS A 26 8.823 -10.255 -0.849 1.00 0.00 O ATOM 358 CB LYS A 26 6.560 -11.995 -2.085 1.00 0.00 C ATOM 359 CG LYS A 26 5.126 -11.947 -2.649 1.00 0.00 C ATOM 360 CD LYS A 26 4.948 -12.599 -4.032 1.00 0.00 C ATOM 361 CE LYS A 26 3.496 -13.017 -4.296 1.00 0.00 C ATOM 362 NZ LYS A 26 2.589 -11.859 -4.360 1.00 0.00 N ATOM 0 H LYS A 26 7.141 -12.128 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 26 7.106 -9.995 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.954 -13.003 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.521 -11.804 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.458 -12.440 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.811 -10.905 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.269 -11.900 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.594 -13.474 -4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.443 -13.570 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.165 -13.693 -3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.604 -12.191 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.730 -11.261 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.792 -11.306 -5.217 1.00 0.00 H new ATOM 376 N SER A 27 9.943 -11.438 -2.381 1.00 0.00 N ATOM 377 CA SER A 27 11.234 -11.321 -1.723 1.00 0.00 C ATOM 378 C SER A 27 11.729 -9.868 -1.719 1.00 0.00 C ATOM 379 O SER A 27 12.478 -9.470 -0.831 1.00 0.00 O ATOM 380 CB SER A 27 12.229 -12.216 -2.468 1.00 0.00 C ATOM 381 OG SER A 27 11.599 -13.431 -2.833 1.00 0.00 O ATOM 0 H SER A 27 9.967 -11.997 -3.234 1.00 0.00 H new ATOM 0 HA SER A 27 11.141 -11.634 -0.683 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.597 -11.705 -3.357 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.094 -12.419 -1.836 1.00 0.00 H new ATOM 0 HG SER A 27 12.238 -14.000 -3.311 1.00 0.00 H new ATOM 387 N VAL A 28 11.347 -9.099 -2.742 1.00 0.00 N ATOM 388 CA VAL A 28 11.731 -7.712 -2.954 1.00 0.00 C ATOM 389 C VAL A 28 10.582 -6.798 -2.519 1.00 0.00 C ATOM 390 O VAL A 28 9.432 -7.230 -2.461 1.00 0.00 O ATOM 391 CB VAL A 28 12.052 -7.546 -4.452 1.00 0.00 C ATOM 392 CG1 VAL A 28 12.363 -6.102 -4.850 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.237 -8.435 -4.858 1.00 0.00 C ATOM 0 H VAL A 28 10.732 -9.449 -3.477 1.00 0.00 H new ATOM 0 HA VAL A 28 12.607 -7.442 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 28 11.148 -7.850 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.580 -6.057 -5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.503 -5.470 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.228 -5.748 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.445 -8.301 -5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.117 -8.156 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.991 -9.479 -4.665 1.00 0.00 H new ATOM 403 N ARG A 29 10.881 -5.526 -2.231 1.00 0.00 N ATOM 404 CA ARG A 29 9.905 -4.504 -1.881 1.00 0.00 C ATOM 405 C ARG A 29 10.302 -3.217 -2.620 1.00 0.00 C ATOM 406 O ARG A 29 11.488 -2.878 -2.673 1.00 0.00 O ATOM 407 CB ARG A 29 9.787 -4.398 -0.351 1.00 0.00 C ATOM 408 CG ARG A 29 11.003 -3.738 0.289 1.00 0.00 C ATOM 409 CD ARG A 29 11.336 -4.270 1.682 1.00 0.00 C ATOM 410 NE ARG A 29 10.218 -4.111 2.620 1.00 0.00 N ATOM 411 CZ ARG A 29 10.298 -4.409 3.923 1.00 0.00 C ATOM 412 NH1 ARG A 29 11.472 -4.763 4.458 1.00 0.00 N ATOM 413 NH2 ARG A 29 9.194 -4.355 4.670 1.00 0.00 N ATOM 0 H ARG A 29 11.839 -5.176 -2.237 1.00 0.00 H new ATOM 0 HA ARG A 29 8.893 -4.747 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.894 -3.827 -0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.657 -5.395 0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.866 -3.883 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.829 -2.664 0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.602 -5.325 1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.210 -3.746 2.069 1.00 0.00 H new ATOM 0 HE ARG A 29 9.333 -3.754 2.260 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.307 -4.806 3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.532 -4.990 5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.305 -4.089 4.247 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.239 -4.579 5.664 1.00 0.00 H new ATOM 427 N VAL A 30 9.331 -2.548 -3.251 1.00 0.00 N ATOM 428 CA VAL A 30 9.558 -1.412 -4.135 1.00 0.00 C ATOM 429 C VAL A 30 8.588 -0.260 -3.879 1.00 0.00 C ATOM 430 O VAL A 30 7.566 -0.409 -3.199 1.00 0.00 O ATOM 431 CB VAL A 30 9.437 -1.867 -5.605 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.432 -2.980 -5.943 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.020 -2.349 -5.954 1.00 0.00 C ATOM 0 H VAL A 30 8.345 -2.791 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 30 10.562 -1.042 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 30 9.666 -0.984 -6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.313 -3.270 -6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.448 -2.621 -5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.245 -3.842 -5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.988 -2.658 -6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.756 -3.194 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.310 -1.538 -5.793 1.00 0.00 H new ATOM 443 N CYS A 31 8.920 0.892 -4.467 1.00 0.00 N ATOM 444 CA CYS A 31 8.095 2.087 -4.438 1.00 0.00 C ATOM 445 C CYS A 31 6.818 1.800 -5.215 1.00 0.00 C ATOM 446 O CYS A 31 6.802 1.821 -6.444 1.00 0.00 O ATOM 447 CB CYS A 31 8.846 3.285 -5.027 1.00 0.00 C ATOM 448 SG CYS A 31 10.237 3.873 -4.034 1.00 0.00 S ATOM 0 H CYS A 31 9.790 1.015 -4.986 1.00 0.00 H new ATOM 0 HA CYS A 31 7.848 2.345 -3.408 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.214 3.014 -6.017 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.142 4.106 -5.162 1.00 0.00 H new ATOM 453 N THR A 32 5.751 1.519 -4.478 1.00 0.00 N ATOM 454 CA THR A 32 4.455 1.137 -4.993 1.00 0.00 C ATOM 455 C THR A 32 3.540 2.371 -4.970 1.00 0.00 C ATOM 456 O THR A 32 3.553 3.108 -3.984 1.00 0.00 O ATOM 457 CB THR A 32 3.962 -0.012 -4.102 1.00 0.00 C ATOM 458 OG1 THR A 32 4.922 -1.055 -4.142 1.00 0.00 O ATOM 459 CG2 THR A 32 2.607 -0.576 -4.537 1.00 0.00 C ATOM 0 H THR A 32 5.773 1.555 -3.459 1.00 0.00 H new ATOM 0 HA THR A 32 4.477 0.791 -6.026 1.00 0.00 H new ATOM 0 HB THR A 32 3.835 0.389 -3.096 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.728 -0.777 -3.659 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.317 -1.384 -3.866 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.856 0.213 -4.501 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.682 -0.959 -5.555 1.00 0.00 H new ATOM 467 N PRO A 33 2.791 2.671 -6.045 1.00 0.00 N ATOM 468 CA PRO A 33 1.867 3.798 -6.068 1.00 0.00 C ATOM 469 C PRO A 33 0.828 3.726 -4.949 1.00 0.00 C ATOM 470 O PRO A 33 0.514 2.638 -4.464 1.00 0.00 O ATOM 471 CB PRO A 33 1.171 3.729 -7.431 1.00 0.00 C ATOM 472 CG PRO A 33 2.199 3.029 -8.316 1.00 0.00 C ATOM 473 CD PRO A 33 2.857 2.040 -7.355 1.00 0.00 C ATOM 0 HA PRO A 33 2.407 4.732 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.238 3.168 -7.378 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.925 4.722 -7.808 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.729 2.522 -9.159 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.922 3.732 -8.730 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.334 1.083 -7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.889 1.840 -7.643 1.00 0.00 H new ATOM 481 N VAL A 34 0.284 4.878 -4.541 1.00 0.00 N ATOM 482 CA VAL A 34 -0.854 4.868 -3.623 1.00 0.00 C ATOM 483 C VAL A 34 -1.990 4.092 -4.306 1.00 0.00 C ATOM 484 O VAL A 34 -2.164 4.168 -5.523 1.00 0.00 O ATOM 485 CB VAL A 34 -1.347 6.282 -3.248 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.674 6.870 -2.002 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.188 7.263 -4.407 1.00 0.00 C ATOM 0 H VAL A 34 0.604 5.804 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.539 4.399 -2.691 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.403 6.147 -3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.076 7.864 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.868 6.225 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.401 6.939 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.546 8.247 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.136 7.330 -4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.768 6.914 -5.261 1.00 0.00 H new ATOM 497 N GLY A 35 -2.761 3.343 -3.523 1.00 0.00 N ATOM 498 CA GLY A 35 -3.862 2.544 -4.041 1.00 0.00 C ATOM 499 C GLY A 35 -4.992 3.434 -4.568 1.00 0.00 C ATOM 500 O GLY A 35 -5.137 4.573 -4.129 1.00 0.00 O ATOM 0 H GLY A 35 -2.639 3.274 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.501 1.898 -4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.244 1.894 -3.254 1.00 0.00 H new ATOM 504 N THR A 36 -5.801 2.934 -5.504 1.00 0.00 N ATOM 505 CA THR A 36 -6.943 3.662 -6.048 1.00 0.00 C ATOM 506 C THR A 36 -8.167 2.734 -6.136 1.00 0.00 C ATOM 507 O THR A 36 -8.131 1.588 -5.680 1.00 0.00 O ATOM 508 CB THR A 36 -6.566 4.337 -7.380 1.00 0.00 C ATOM 509 OG1 THR A 36 -7.622 5.180 -7.800 1.00 0.00 O ATOM 510 CG2 THR A 36 -6.234 3.345 -8.499 1.00 0.00 C ATOM 0 H THR A 36 -5.679 2.005 -5.907 1.00 0.00 H new ATOM 0 HA THR A 36 -7.226 4.473 -5.377 1.00 0.00 H new ATOM 0 HB THR A 36 -5.659 4.911 -7.190 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.380 5.610 -8.647 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.978 3.892 -9.406 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.389 2.726 -8.198 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.099 2.710 -8.690 1.00 0.00 H new ATOM 518 N SER A 37 -9.250 3.249 -6.721 1.00 0.00 N ATOM 519 CA SER A 37 -10.553 2.615 -6.852 1.00 0.00 C ATOM 520 C SER A 37 -10.490 1.125 -7.194 1.00 0.00 C ATOM 521 O SER A 37 -10.023 0.750 -8.267 1.00 0.00 O ATOM 522 CB SER A 37 -11.359 3.361 -7.919 1.00 0.00 C ATOM 523 OG SER A 37 -11.483 4.728 -7.571 1.00 0.00 O ATOM 0 H SER A 37 -9.234 4.179 -7.141 1.00 0.00 H new ATOM 0 HA SER A 37 -11.035 2.675 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.868 3.268 -8.888 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.347 2.912 -8.018 1.00 0.00 H new ATOM 0 HG SER A 37 -12.310 4.863 -7.063 1.00 0.00 H new ATOM 529 N GLY A 38 -10.994 0.285 -6.288 1.00 0.00 N ATOM 530 CA GLY A 38 -11.117 -1.150 -6.479 1.00 0.00 C ATOM 531 C GLY A 38 -9.869 -1.940 -6.097 1.00 0.00 C ATOM 532 O GLY A 38 -9.951 -3.162 -5.983 1.00 0.00 O ATOM 0 H GLY A 38 -11.335 0.598 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.958 -1.513 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.353 -1.347 -7.525 1.00 0.00 H new ATOM 536 N GLU A 39 -8.717 -1.294 -5.895 1.00 0.00 N ATOM 537 CA GLU A 39 -7.508 -2.030 -5.561 1.00 0.00 C ATOM 538 C GLU A 39 -7.558 -2.528 -4.115 1.00 0.00 C ATOM 539 O GLU A 39 -8.161 -1.890 -3.249 1.00 0.00 O ATOM 540 CB GLU A 39 -6.275 -1.164 -5.823 1.00 0.00 C ATOM 541 CG GLU A 39 -6.201 -0.788 -7.311 1.00 0.00 C ATOM 542 CD GLU A 39 -4.915 -0.044 -7.640 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.547 0.822 -6.818 1.00 0.00 O ATOM 544 OE2 GLU A 39 -4.330 -0.345 -8.701 1.00 0.00 O ATOM 0 H GLU A 39 -8.602 -0.282 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.440 -2.909 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.319 -0.261 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.374 -1.703 -5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.265 -1.691 -7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.058 -0.167 -7.573 1.00 0.00 H new ATOM 551 N ASP A 40 -6.932 -3.683 -3.867 1.00 0.00 N ATOM 552 CA ASP A 40 -6.857 -4.290 -2.548 1.00 0.00 C ATOM 553 C ASP A 40 -6.088 -3.383 -1.591 1.00 0.00 C ATOM 554 O ASP A 40 -5.196 -2.646 -2.009 1.00 0.00 O ATOM 555 CB ASP A 40 -6.209 -5.675 -2.633 1.00 0.00 C ATOM 556 CG ASP A 40 -7.155 -6.690 -3.261 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.180 -6.747 -4.510 1.00 0.00 O ATOM 558 OD2 ASP A 40 -7.853 -7.377 -2.483 1.00 0.00 O ATOM 0 H ASP A 40 -6.459 -4.224 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.868 -4.414 -2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.293 -5.615 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.925 -6.008 -1.635 1.00 0.00 H new ATOM 563 N CYS A 41 -6.424 -3.449 -0.302 1.00 0.00 N ATOM 564 CA CYS A 41 -5.831 -2.605 0.722 1.00 0.00 C ATOM 565 C CYS A 41 -5.855 -3.309 2.071 1.00 0.00 C ATOM 566 O CYS A 41 -6.698 -4.168 2.317 1.00 0.00 O ATOM 567 CB CYS A 41 -6.628 -1.301 0.820 1.00 0.00 C ATOM 568 SG CYS A 41 -8.355 -1.541 1.311 1.00 0.00 S ATOM 0 H CYS A 41 -7.123 -4.098 0.058 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.796 -2.395 0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.143 -0.642 1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.600 -0.795 -0.145 1.00 0.00 H new ATOM 573 N HIS A 42 -4.941 -2.918 2.957 1.00 0.00 N ATOM 574 CA HIS A 42 -4.883 -3.397 4.326 1.00 0.00 C ATOM 575 C HIS A 42 -5.568 -2.307 5.148 1.00 0.00 C ATOM 576 O HIS A 42 -5.224 -1.136 4.973 1.00 0.00 O ATOM 577 CB HIS A 42 -3.416 -3.562 4.741 1.00 0.00 C ATOM 578 CG HIS A 42 -3.194 -4.127 6.117 1.00 0.00 C ATOM 579 ND1 HIS A 42 -3.876 -3.679 7.248 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.322 -5.105 6.496 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.419 -4.442 8.246 1.00 0.00 C ATOM 582 NE2 HIS A 42 -2.475 -5.307 7.850 1.00 0.00 N ATOM 0 H HIS A 42 -4.208 -2.245 2.733 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.367 -4.364 4.465 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.922 -4.210 4.017 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.928 -2.589 4.683 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.634 -5.628 5.849 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.773 -4.369 9.264 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.973 -5.977 8.432 1.00 0.00 H new ATOM 590 N PRO A 43 -6.532 -2.635 6.021 1.00 0.00 N ATOM 591 CA PRO A 43 -7.245 -1.630 6.796 1.00 0.00 C ATOM 592 C PRO A 43 -6.298 -0.726 7.591 1.00 0.00 C ATOM 593 O PRO A 43 -6.626 0.431 7.838 1.00 0.00 O ATOM 594 CB PRO A 43 -8.222 -2.403 7.687 1.00 0.00 C ATOM 595 CG PRO A 43 -7.650 -3.820 7.741 1.00 0.00 C ATOM 596 CD PRO A 43 -6.939 -3.979 6.397 1.00 0.00 C ATOM 0 HA PRO A 43 -7.782 -0.939 6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.286 -1.962 8.682 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.229 -2.397 7.270 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.959 -3.941 8.575 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.436 -4.564 7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.078 -4.642 6.483 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.602 -4.413 5.649 1.00 0.00 H new ATOM 604 N ALA A 44 -5.122 -1.237 7.971 1.00 0.00 N ATOM 605 CA ALA A 44 -4.114 -0.494 8.707 1.00 0.00 C ATOM 606 C ALA A 44 -2.896 -0.155 7.842 1.00 0.00 C ATOM 607 O ALA A 44 -1.850 0.111 8.426 1.00 0.00 O ATOM 608 CB ALA A 44 -3.678 -1.327 9.918 1.00 0.00 C ATOM 0 H ALA A 44 -4.847 -2.198 7.768 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.551 0.452 9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.921 -0.782 10.481 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.539 -1.517 10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.264 -2.276 9.577 1.00 0.00 H new ATOM 614 N SER A 45 -3.002 -0.161 6.499 1.00 0.00 N ATOM 615 CA SER A 45 -1.904 0.131 5.581 1.00 0.00 C ATOM 616 C SER A 45 -1.000 1.238 6.126 1.00 0.00 C ATOM 617 O SER A 45 -1.418 2.395 6.126 1.00 0.00 O ATOM 618 CB SER A 45 -2.459 0.577 4.220 1.00 0.00 C ATOM 619 OG SER A 45 -3.031 -0.486 3.482 1.00 0.00 O ATOM 0 H SER A 45 -3.877 -0.375 6.020 1.00 0.00 H new ATOM 0 HA SER A 45 -1.319 -0.782 5.470 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.211 1.350 4.376 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.656 1.027 3.636 1.00 0.00 H new ATOM 0 HG SER A 45 -3.888 -0.739 3.884 1.00 0.00 H new ATOM 625 N HIS A 46 0.206 0.872 6.587 1.00 0.00 N ATOM 626 CA HIS A 46 1.202 1.783 7.147 1.00 0.00 C ATOM 627 C HIS A 46 1.194 3.137 6.436 1.00 0.00 C ATOM 628 O HIS A 46 1.379 3.198 5.220 1.00 0.00 O ATOM 629 CB HIS A 46 2.605 1.197 6.986 1.00 0.00 C ATOM 630 CG HIS A 46 2.932 -0.042 7.770 1.00 0.00 C ATOM 631 ND1 HIS A 46 3.571 -1.137 7.174 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.821 -0.262 9.113 1.00 0.00 C ATOM 633 CE1 HIS A 46 3.813 -1.966 8.198 1.00 0.00 C ATOM 634 NE2 HIS A 46 3.383 -1.491 9.376 1.00 0.00 N ATOM 0 H HIS A 46 0.520 -0.099 6.578 1.00 0.00 H new ATOM 0 HA HIS A 46 0.947 1.917 8.198 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.759 0.977 5.930 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.325 1.968 7.259 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.375 0.405 9.836 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.305 -2.921 8.086 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.457 -1.948 10.285 1.00 0.00 H new ATOM 642 N LYS A 47 0.989 4.215 7.195 1.00 0.00 N ATOM 643 CA LYS A 47 0.948 5.556 6.646 1.00 0.00 C ATOM 644 C LYS A 47 2.350 6.124 6.473 1.00 0.00 C ATOM 645 O LYS A 47 3.275 5.791 7.212 1.00 0.00 O ATOM 646 CB LYS A 47 0.056 6.455 7.510 1.00 0.00 C ATOM 647 CG LYS A 47 -1.383 5.923 7.589 1.00 0.00 C ATOM 648 CD LYS A 47 -1.993 5.745 6.190 1.00 0.00 C ATOM 649 CE LYS A 47 -3.485 5.407 6.262 1.00 0.00 C ATOM 650 NZ LYS A 47 -3.702 4.103 6.917 1.00 0.00 N ATOM 0 H LYS A 47 0.848 4.175 8.204 1.00 0.00 H new ATOM 0 HA LYS A 47 0.507 5.515 5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.474 6.524 8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.049 7.464 7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.391 4.968 8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.996 6.612 8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.854 6.660 5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.465 4.952 5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.012 6.186 6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.906 5.387 5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.605 3.699 6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.926 3.456 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.728 4.233 7.949 1.00 0.00 H new ATOM 664 N ILE A 48 2.479 6.988 5.470 1.00 0.00 N ATOM 665 CA ILE A 48 3.740 7.617 5.113 1.00 0.00 C ATOM 666 C ILE A 48 4.083 8.659 6.189 1.00 0.00 C ATOM 667 O ILE A 48 3.181 9.381 6.614 1.00 0.00 O ATOM 668 CB ILE A 48 3.595 8.285 3.727 1.00 0.00 C ATOM 669 CG1 ILE A 48 3.205 7.236 2.670 1.00 0.00 C ATOM 670 CG2 ILE A 48 4.876 9.022 3.301 1.00 0.00 C ATOM 671 CD1 ILE A 48 2.989 7.828 1.274 1.00 0.00 C ATOM 0 H ILE A 48 1.699 7.272 4.877 1.00 0.00 H new ATOM 0 HA ILE A 48 4.542 6.881 5.060 1.00 0.00 H new ATOM 0 HB ILE A 48 2.804 9.031 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.985 6.477 2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.292 6.733 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.726 9.475 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.108 9.800 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.703 8.314 3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.717 7.033 0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.188 8.567 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.908 8.306 0.935 1.00 0.00 H new ATOM 683 N PRO A 49 5.355 8.824 6.592 1.00 0.00 N ATOM 684 CA PRO A 49 6.505 7.992 6.277 1.00 0.00 C ATOM 685 C PRO A 49 6.675 6.922 7.360 1.00 0.00 C ATOM 686 O PRO A 49 6.863 7.265 8.527 1.00 0.00 O ATOM 687 CB PRO A 49 7.686 8.967 6.281 1.00 0.00 C ATOM 688 CG PRO A 49 7.306 9.994 7.352 1.00 0.00 C ATOM 689 CD PRO A 49 5.774 10.007 7.329 1.00 0.00 C ATOM 0 HA PRO A 49 6.411 7.468 5.326 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.621 8.462 6.524 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.821 9.436 5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.688 9.708 8.332 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.717 10.978 7.125 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.372 9.994 8.342 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.402 10.913 6.850 1.00 0.00 H new ATOM 697 N PHE A 50 6.701 5.634 7.004 1.00 0.00 N ATOM 698 CA PHE A 50 6.855 4.598 8.020 1.00 0.00 C ATOM 699 C PHE A 50 8.329 4.201 8.073 1.00 0.00 C ATOM 700 O PHE A 50 8.750 3.215 7.465 1.00 0.00 O ATOM 701 CB PHE A 50 5.953 3.411 7.679 1.00 0.00 C ATOM 702 CG PHE A 50 5.832 2.382 8.787 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.056 2.677 9.923 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.545 1.169 8.725 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.007 1.775 10.999 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.474 0.255 9.791 1.00 0.00 C ATOM 707 CZ PHE A 50 5.712 0.561 10.931 1.00 0.00 C ATOM 0 H PHE A 50 6.620 5.293 6.046 1.00 0.00 H new ATOM 0 HA PHE A 50 6.555 4.960 9.003 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.958 3.784 7.435 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.339 2.921 6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.496 3.600 9.968 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.147 0.941 7.858 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.428 2.014 11.878 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.006 -0.683 9.733 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.668 -0.136 11.755 1.00 0.00 H new ATOM 717 N SER A 51 9.124 4.999 8.797 1.00 0.00 N ATOM 718 CA SER A 51 10.561 4.834 8.961 1.00 0.00 C ATOM 719 C SER A 51 10.912 3.598 9.796 1.00 0.00 C ATOM 720 O SER A 51 11.446 3.719 10.896 1.00 0.00 O ATOM 721 CB SER A 51 11.115 6.115 9.593 1.00 0.00 C ATOM 722 OG SER A 51 10.612 7.241 8.898 1.00 0.00 O ATOM 0 H SER A 51 8.762 5.808 9.302 1.00 0.00 H new ATOM 0 HA SER A 51 11.019 4.669 7.986 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.831 6.167 10.644 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.204 6.109 9.557 1.00 0.00 H new ATOM 0 HG SER A 51 10.965 8.060 9.304 1.00 0.00 H new ATOM 728 N GLY A 52 10.624 2.411 9.263 1.00 0.00 N ATOM 729 CA GLY A 52 10.894 1.137 9.901 1.00 0.00 C ATOM 730 C GLY A 52 11.059 0.072 8.829 1.00 0.00 C ATOM 731 O GLY A 52 12.074 0.015 8.135 1.00 0.00 O ATOM 0 H GLY A 52 10.183 2.314 8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.797 1.204 10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.078 0.872 10.573 1.00 0.00 H new ATOM 735 N GLN A 53 10.043 -0.775 8.711 1.00 0.00 N ATOM 736 CA GLN A 53 9.948 -1.847 7.736 1.00 0.00 C ATOM 737 C GLN A 53 8.527 -1.836 7.192 1.00 0.00 C ATOM 738 O GLN A 53 7.598 -2.237 7.892 1.00 0.00 O ATOM 739 CB GLN A 53 10.262 -3.194 8.404 1.00 0.00 C ATOM 740 CG GLN A 53 11.745 -3.355 8.756 1.00 0.00 C ATOM 741 CD GLN A 53 12.607 -3.454 7.503 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.743 -4.530 6.929 1.00 0.00 O ATOM 743 NE2 GLN A 53 13.170 -2.340 7.045 1.00 0.00 N ATOM 0 H GLN A 53 9.228 -0.728 9.322 1.00 0.00 H new ATOM 0 HA GLN A 53 10.665 -1.705 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.666 -3.291 9.311 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.962 -4.003 7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.072 -2.507 9.358 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.881 -4.249 9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.039 -1.460 7.544 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.733 -2.365 6.195 1.00 0.00 H new ATOM 752 N ARG A 54 8.339 -1.353 5.963 1.00 0.00 N ATOM 753 CA ARG A 54 7.019 -1.310 5.351 1.00 0.00 C ATOM 754 C ARG A 54 6.567 -2.724 4.987 1.00 0.00 C ATOM 755 O ARG A 54 6.685 -3.164 3.845 1.00 0.00 O ATOM 756 CB ARG A 54 7.047 -0.348 4.161 1.00 0.00 C ATOM 757 CG ARG A 54 6.738 1.081 4.632 1.00 0.00 C ATOM 758 CD ARG A 54 5.248 1.281 4.936 1.00 0.00 C ATOM 759 NE ARG A 54 4.435 1.028 3.742 1.00 0.00 N ATOM 760 CZ ARG A 54 3.719 -0.082 3.493 1.00 0.00 C ATOM 761 NH1 ARG A 54 3.517 -1.016 4.422 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.230 -0.305 2.278 1.00 0.00 N ATOM 0 H ARG A 54 9.088 -0.987 5.375 1.00 0.00 H new ATOM 0 HA ARG A 54 6.278 -0.926 6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.026 -0.378 3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.317 -0.659 3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.322 1.302 5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.049 1.790 3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.943 0.610 5.739 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.077 2.298 5.289 1.00 0.00 H new ATOM 0 HE ARG A 54 4.411 1.763 3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.911 -0.900 5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.968 -1.847 4.199 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.397 0.367 1.530 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.687 -1.149 2.094 1.00 0.00 H new ATOM 776 N MET A 55 6.085 -3.455 5.992 1.00 0.00 N ATOM 777 CA MET A 55 5.662 -4.839 5.865 1.00 0.00 C ATOM 778 C MET A 55 4.308 -4.970 5.164 1.00 0.00 C ATOM 779 O MET A 55 4.120 -5.908 4.394 1.00 0.00 O ATOM 780 CB MET A 55 5.654 -5.499 7.252 1.00 0.00 C ATOM 781 CG MET A 55 5.593 -7.030 7.167 1.00 0.00 C ATOM 782 SD MET A 55 7.041 -7.820 6.414 1.00 0.00 S ATOM 783 CE MET A 55 6.464 -9.530 6.360 1.00 0.00 C ATOM 0 H MET A 55 5.978 -3.087 6.937 1.00 0.00 H new ATOM 0 HA MET A 55 6.377 -5.361 5.229 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.550 -5.203 7.798 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.799 -5.134 7.821 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.464 -7.429 8.173 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.708 -7.311 6.596 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.237 -10.161 5.921 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.246 -9.873 7.372 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.560 -9.590 5.754 1.00 0.00 H new ATOM 793 N HIS A 56 3.347 -4.069 5.427 1.00 0.00 N ATOM 794 CA HIS A 56 2.039 -4.188 4.784 1.00 0.00 C ATOM 795 C HIS A 56 2.220 -4.113 3.271 1.00 0.00 C ATOM 796 O HIS A 56 2.711 -3.102 2.763 1.00 0.00 O ATOM 797 CB HIS A 56 1.021 -3.140 5.255 1.00 0.00 C ATOM 798 CG HIS A 56 0.760 -3.115 6.733 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.262 -1.966 7.339 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.904 -4.098 7.677 1.00 0.00 C ATOM 801 CE1 HIS A 56 0.099 -2.307 8.620 1.00 0.00 C ATOM 802 NE2 HIS A 56 0.479 -3.568 8.877 1.00 0.00 N ATOM 0 H HIS A 56 3.449 -3.276 6.060 1.00 0.00 H new ATOM 0 HA HIS A 56 1.624 -5.153 5.075 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.371 -2.154 4.948 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.077 -3.318 4.739 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.279 -5.097 7.512 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.297 -1.638 9.370 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.458 -4.041 9.781 1.00 0.00 H new ATOM 810 N HIS A 57 1.821 -5.187 2.589 1.00 0.00 N ATOM 811 CA HIS A 57 1.936 -5.387 1.153 1.00 0.00 C ATOM 812 C HIS A 57 1.279 -4.271 0.352 1.00 0.00 C ATOM 813 O HIS A 57 1.684 -3.979 -0.769 1.00 0.00 O ATOM 814 CB HIS A 57 1.268 -6.721 0.801 1.00 0.00 C ATOM 815 CG HIS A 57 1.859 -7.427 -0.384 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.795 -8.813 -0.458 1.00 0.00 N ATOM 817 CD2 HIS A 57 2.547 -6.956 -1.473 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.498 -9.120 -1.543 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.034 -8.054 -2.146 1.00 0.00 N ATOM 0 H HIS A 57 1.385 -5.983 3.055 1.00 0.00 H new ATOM 0 HA HIS A 57 2.995 -5.387 0.894 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.328 -7.381 1.666 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.210 -6.542 0.609 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.681 -5.921 -1.750 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.624 -10.131 -1.902 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.673 -8.054 -2.941 1.00 0.00 H new ATOM 827 N THR A 58 0.253 -3.649 0.922 1.00 0.00 N ATOM 828 CA THR A 58 -0.496 -2.612 0.255 1.00 0.00 C ATOM 829 C THR A 58 0.019 -1.262 0.741 1.00 0.00 C ATOM 830 O THR A 58 0.682 -1.169 1.778 1.00 0.00 O ATOM 831 CB THR A 58 -1.988 -2.841 0.542 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.295 -2.660 1.915 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.350 -4.292 0.175 1.00 0.00 C ATOM 0 H THR A 58 -0.077 -3.857 1.864 1.00 0.00 H new ATOM 0 HA THR A 58 -0.369 -2.632 -0.827 1.00 0.00 H new ATOM 0 HB THR A 58 -2.552 -2.118 -0.047 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.464 -1.711 2.090 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.407 -4.465 0.375 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.149 -4.461 -0.883 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.751 -4.979 0.773 1.00 0.00 H new ATOM 841 N CYS A 59 -0.236 -0.217 -0.040 1.00 0.00 N ATOM 842 CA CYS A 59 0.109 1.139 0.285 1.00 0.00 C ATOM 843 C CYS A 59 -1.174 1.803 0.755 1.00 0.00 C ATOM 844 O CYS A 59 -2.258 1.242 0.576 1.00 0.00 O ATOM 845 CB CYS A 59 0.622 1.833 -0.984 1.00 0.00 C ATOM 846 SG CYS A 59 2.404 1.800 -1.232 1.00 0.00 S ATOM 0 H CYS A 59 -0.704 -0.307 -0.942 1.00 0.00 H new ATOM 0 HA CYS A 59 0.882 1.195 1.051 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.146 1.368 -1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.297 2.873 -0.963 1.00 0.00 H new ATOM 851 N PRO A 60 -1.071 2.992 1.359 1.00 0.00 N ATOM 852 CA PRO A 60 -2.239 3.798 1.618 1.00 0.00 C ATOM 853 C PRO A 60 -2.910 4.058 0.271 1.00 0.00 C ATOM 854 O PRO A 60 -2.295 3.920 -0.790 1.00 0.00 O ATOM 855 CB PRO A 60 -1.749 5.119 2.214 1.00 0.00 C ATOM 856 CG PRO A 60 -0.270 4.892 2.502 1.00 0.00 C ATOM 857 CD PRO A 60 0.151 3.713 1.628 1.00 0.00 C ATOM 0 HA PRO A 60 -2.940 3.316 2.300 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.894 5.945 1.518 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.295 5.369 3.124 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.315 5.781 2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.107 4.674 3.557 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.620 4.054 0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.877 3.082 2.140 1.00 0.00 H new ATOM 865 N CYS A 61 -4.171 4.458 0.312 1.00 0.00 N ATOM 866 CA CYS A 61 -4.916 4.752 -0.898 1.00 0.00 C ATOM 867 C CYS A 61 -4.913 6.251 -1.117 1.00 0.00 C ATOM 868 O CYS A 61 -4.605 7.008 -0.196 1.00 0.00 O ATOM 869 CB CYS A 61 -6.308 4.137 -0.832 1.00 0.00 C ATOM 870 SG CYS A 61 -6.212 2.338 -0.922 1.00 0.00 S ATOM 0 H CYS A 61 -4.700 4.586 1.175 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.443 4.297 -1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.799 4.434 0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.918 4.516 -1.652 1.00 0.00 H new ATOM 875 N ALA A 62 -5.211 6.677 -2.346 1.00 0.00 N ATOM 876 CA ALA A 62 -5.248 8.083 -2.689 1.00 0.00 C ATOM 877 C ALA A 62 -6.130 8.789 -1.646 1.00 0.00 C ATOM 878 O ALA A 62 -7.219 8.288 -1.346 1.00 0.00 O ATOM 879 CB ALA A 62 -5.718 8.260 -4.132 1.00 0.00 C ATOM 0 H ALA A 62 -5.431 6.053 -3.122 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.259 8.541 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.742 9.321 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.031 7.746 -4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.717 7.839 -4.243 1.00 0.00 H new ATOM 885 N PRO A 63 -5.642 9.895 -1.060 1.00 0.00 N ATOM 886 CA PRO A 63 -6.246 10.587 0.076 1.00 0.00 C ATOM 887 C PRO A 63 -7.644 11.125 -0.232 1.00 0.00 C ATOM 888 O PRO A 63 -7.847 12.311 -0.479 1.00 0.00 O ATOM 889 CB PRO A 63 -5.245 11.672 0.480 1.00 0.00 C ATOM 890 CG PRO A 63 -4.550 11.971 -0.842 1.00 0.00 C ATOM 891 CD PRO A 63 -4.455 10.601 -1.509 1.00 0.00 C ATOM 0 HA PRO A 63 -6.424 9.905 0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.741 12.553 0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.545 11.320 1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.123 12.674 -1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.565 12.412 -0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.433 10.689 -2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.546 10.078 -1.213 1.00 0.00 H new ATOM 899 N ASN A 64 -8.598 10.200 -0.184 1.00 0.00 N ATOM 900 CA ASN A 64 -10.025 10.355 -0.432 1.00 0.00 C ATOM 901 C ASN A 64 -10.731 9.000 -0.303 1.00 0.00 C ATOM 902 O ASN A 64 -11.765 8.903 0.352 1.00 0.00 O ATOM 903 CB ASN A 64 -10.279 10.938 -1.829 1.00 0.00 C ATOM 904 CG ASN A 64 -11.769 10.989 -2.137 1.00 0.00 C ATOM 905 OD1 ASN A 64 -12.521 11.686 -1.466 1.00 0.00 O ATOM 906 ND2 ASN A 64 -12.192 10.252 -3.158 1.00 0.00 N ATOM 0 H ASN A 64 -8.369 9.234 0.051 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.425 11.046 0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.857 11.941 -1.890 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.770 10.331 -2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.180 10.251 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.529 9.687 -3.688 1.00 0.00 H new ATOM 913 N LEU A 65 -10.184 7.952 -0.932 1.00 0.00 N ATOM 914 CA LEU A 65 -10.795 6.626 -0.923 1.00 0.00 C ATOM 915 C LEU A 65 -10.844 6.013 0.477 1.00 0.00 C ATOM 916 O LEU A 65 -10.047 6.366 1.346 1.00 0.00 O ATOM 917 CB LEU A 65 -10.040 5.683 -1.864 1.00 0.00 C ATOM 918 CG LEU A 65 -10.220 6.067 -3.339 1.00 0.00 C ATOM 919 CD1 LEU A 65 -9.028 6.860 -3.868 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.359 4.801 -4.182 1.00 0.00 C ATOM 0 H LEU A 65 -9.311 8.003 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.821 6.753 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.979 5.696 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.391 4.662 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.114 6.687 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.195 7.112 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.914 7.776 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.123 6.259 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.487 5.074 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.462 4.191 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.227 4.234 -3.846 1.00 0.00 H new ATOM 932 N ALA A 66 -11.759 5.056 0.668 1.00 0.00 N ATOM 933 CA ALA A 66 -11.966 4.353 1.926 1.00 0.00 C ATOM 934 C ALA A 66 -11.641 2.866 1.758 1.00 0.00 C ATOM 935 O ALA A 66 -12.220 2.202 0.897 1.00 0.00 O ATOM 936 CB ALA A 66 -13.420 4.541 2.368 1.00 0.00 C ATOM 0 H ALA A 66 -12.389 4.746 -0.071 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.303 4.760 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.585 4.018 3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.625 5.603 2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.087 4.136 1.607 1.00 0.00 H new ATOM 942 N CYS A 67 -10.721 2.343 2.579 1.00 0.00 N ATOM 943 CA CYS A 67 -10.341 0.932 2.583 1.00 0.00 C ATOM 944 C CYS A 67 -11.396 0.146 3.359 1.00 0.00 C ATOM 945 O CYS A 67 -11.388 0.172 4.588 1.00 0.00 O ATOM 946 CB CYS A 67 -8.962 0.749 3.230 1.00 0.00 C ATOM 947 SG CYS A 67 -8.458 -0.984 3.306 1.00 0.00 S ATOM 0 H CYS A 67 -10.215 2.900 3.268 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.284 0.565 1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.221 1.315 2.665 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.979 1.164 4.238 1.00 0.00 H new ATOM 952 N VAL A 68 -12.316 -0.531 2.664 1.00 0.00 N ATOM 953 CA VAL A 68 -13.428 -1.233 3.260 1.00 0.00 C ATOM 954 C VAL A 68 -13.445 -2.705 2.848 1.00 0.00 C ATOM 955 O VAL A 68 -12.954 -3.065 1.778 1.00 0.00 O ATOM 956 CB VAL A 68 -14.711 -0.527 2.814 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.884 0.817 3.532 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.823 -0.326 1.298 1.00 0.00 C ATOM 0 H VAL A 68 -12.296 -0.600 1.647 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.340 -1.216 4.346 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.518 -1.203 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.804 1.294 3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.935 0.651 4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.036 1.463 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.760 0.181 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.987 0.280 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.802 -1.295 0.800 1.00 0.00 H new ATOM 968 N GLN A 69 -14.002 -3.566 3.704 1.00 0.00 N ATOM 969 CA GLN A 69 -14.145 -4.975 3.388 1.00 0.00 C ATOM 970 C GLN A 69 -15.244 -5.140 2.344 1.00 0.00 C ATOM 971 O GLN A 69 -16.254 -4.442 2.389 1.00 0.00 O ATOM 972 CB GLN A 69 -14.297 -5.814 4.666 1.00 0.00 C ATOM 973 CG GLN A 69 -15.639 -5.692 5.402 1.00 0.00 C ATOM 974 CD GLN A 69 -16.801 -6.360 4.672 1.00 0.00 C ATOM 975 OE1 GLN A 69 -16.531 -7.399 3.886 1.00 0.00 O flip ATOM 976 NE2 GLN A 69 -17.939 -5.922 4.789 1.00 0.00 N flip ATOM 0 H GLN A 69 -14.360 -3.303 4.622 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.239 -5.373 2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.142 -6.862 4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.501 -5.534 5.356 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.541 -6.135 6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.870 -4.637 5.546 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.118 -5.124 5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -18.707 -6.355 4.277 1.00 0.00 H new ATOM 985 N THR A 70 -15.031 -6.059 1.405 1.00 0.00 N ATOM 986 CA THR A 70 -16.011 -6.408 0.389 1.00 0.00 C ATOM 987 C THR A 70 -16.672 -7.676 0.916 1.00 0.00 C ATOM 988 O THR A 70 -17.839 -7.693 1.302 1.00 0.00 O ATOM 989 CB THR A 70 -15.303 -6.618 -0.959 1.00 0.00 C ATOM 990 OG1 THR A 70 -14.244 -7.556 -0.850 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.740 -5.291 -1.475 1.00 0.00 C ATOM 0 H THR A 70 -14.161 -6.587 1.331 1.00 0.00 H new ATOM 0 HA THR A 70 -16.756 -5.633 0.211 1.00 0.00 H new ATOM 0 HB THR A 70 -16.044 -7.006 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.583 -7.229 -0.205 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.241 -5.454 -2.430 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.553 -4.578 -1.608 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.024 -4.895 -0.755 1.00 0.00 H new ATOM 999 N SER A 71 -15.859 -8.717 1.041 1.00 0.00 N ATOM 1000 CA SER A 71 -16.164 -9.991 1.661 1.00 0.00 C ATOM 1001 C SER A 71 -15.171 -10.119 2.829 1.00 0.00 C ATOM 1002 O SER A 71 -14.302 -9.253 2.973 1.00 0.00 O ATOM 1003 CB SER A 71 -16.066 -11.076 0.581 1.00 0.00 C ATOM 1004 OG SER A 71 -14.952 -10.858 -0.262 1.00 0.00 O ATOM 0 H SER A 71 -14.903 -8.687 0.686 1.00 0.00 H new ATOM 0 HA SER A 71 -17.170 -10.088 2.069 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.983 -12.055 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.979 -11.085 -0.014 1.00 0.00 H new ATOM 0 HG SER A 71 -15.000 -11.464 -1.031 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.326 -11.104 3.725 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.415 -11.306 4.842 1.00 0.00 C ATOM 1012 C PRO A 72 -12.947 -11.271 4.400 1.00 0.00 C ATOM 1013 O PRO A 72 -12.595 -11.892 3.398 1.00 0.00 O ATOM 1014 CB PRO A 72 -14.810 -12.663 5.429 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.318 -12.706 5.173 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.466 -12.000 3.823 1.00 0.00 C ATOM 0 HA PRO A 72 -14.496 -10.509 5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.291 -13.485 4.936 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.576 -12.729 6.492 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.691 -13.730 5.135 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.874 -12.194 5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.472 -12.718 3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.404 -11.448 3.770 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.108 -10.513 5.118 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.672 -10.331 4.879 1.00 0.00 C ATOM 1026 C LYS A 73 -10.356 -9.508 3.620 1.00 0.00 C ATOM 1027 O LYS A 73 -9.439 -8.688 3.632 1.00 0.00 O ATOM 1028 CB LYS A 73 -9.917 -11.670 4.875 1.00 0.00 C ATOM 1029 CG LYS A 73 -10.154 -12.471 6.164 1.00 0.00 C ATOM 1030 CD LYS A 73 -9.294 -13.742 6.155 1.00 0.00 C ATOM 1031 CE LYS A 73 -9.409 -14.523 7.471 1.00 0.00 C ATOM 1032 NZ LYS A 73 -10.779 -15.009 7.710 1.00 0.00 N ATOM 0 H LYS A 73 -12.432 -9.981 5.926 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.311 -9.743 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.235 -12.262 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.850 -11.484 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.907 -11.860 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.208 -12.735 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.600 -14.381 5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.252 -13.473 5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.723 -15.370 7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.102 -13.884 8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.793 -15.601 8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.417 -14.198 7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.095 -15.571 6.894 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.090 -9.720 2.529 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.892 -9.023 1.271 1.00 0.00 C ATOM 1048 C LYS A 74 -11.275 -7.546 1.400 1.00 0.00 C ATOM 1049 O LYS A 74 -12.415 -7.152 1.138 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.672 -9.749 0.172 1.00 0.00 C ATOM 1051 CG LYS A 74 -10.973 -11.073 -0.169 1.00 0.00 C ATOM 1052 CD LYS A 74 -11.832 -11.936 -1.104 1.00 0.00 C ATOM 1053 CE LYS A 74 -12.335 -13.207 -0.406 1.00 0.00 C ATOM 1054 NZ LYS A 74 -13.176 -12.896 0.762 1.00 0.00 N ATOM 0 H LYS A 74 -11.853 -10.396 2.500 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.837 -9.035 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.693 -9.940 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.737 -9.121 -0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.012 -10.868 -0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.766 -11.624 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.683 -11.354 -1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.249 -12.211 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.905 -13.808 -1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.483 -13.809 -0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.723 -13.739 1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.572 -12.607 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.828 -12.122 0.524 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.279 -6.726 1.742 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.399 -5.287 1.906 1.00 0.00 C ATOM 1070 C PHE A 75 -9.923 -4.607 0.628 1.00 0.00 C ATOM 1071 O PHE A 75 -8.839 -4.909 0.127 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.567 -4.815 3.108 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.323 -4.694 4.417 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.368 -5.774 5.317 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.876 -3.455 4.788 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -10.975 -5.618 6.576 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.499 -3.302 6.038 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.540 -4.382 6.937 1.00 0.00 C ATOM 0 H PHE A 75 -9.333 -7.065 1.918 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.440 -5.024 2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.739 -5.509 3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.132 -3.845 2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.936 -6.724 5.041 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.821 -2.617 4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.007 -6.448 7.266 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.946 -2.356 6.308 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.005 -4.262 7.904 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.753 -3.706 0.093 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.472 -2.953 -1.120 1.00 0.00 C ATOM 1090 C LYS A 76 -10.812 -1.482 -0.903 1.00 0.00 C ATOM 1091 O LYS A 76 -11.639 -1.136 -0.056 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.228 -3.521 -2.330 1.00 0.00 C ATOM 1093 CG LYS A 76 -11.054 -5.038 -2.478 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.575 -5.472 -3.853 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.661 -6.998 -3.977 1.00 0.00 C ATOM 1096 NZ LYS A 76 -10.328 -7.627 -3.966 1.00 0.00 N ATOM 0 H LYS A 76 -11.658 -3.479 0.505 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.408 -3.043 -1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.289 -3.289 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.876 -3.029 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.003 -5.308 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.598 -5.557 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.561 -5.038 -4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.918 -5.081 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.257 -7.396 -3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.178 -7.259 -4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.432 -8.661 -3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.811 -7.359 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.799 -7.305 -3.130 1.00 0.00 H new ATOM 1110 N CYS A 77 -10.146 -0.611 -1.659 1.00 0.00 N ATOM 1111 CA CYS A 77 -10.332 0.826 -1.550 1.00 0.00 C ATOM 1112 C CYS A 77 -11.440 1.284 -2.475 1.00 0.00 C ATOM 1113 O CYS A 77 -11.264 1.274 -3.692 1.00 0.00 O ATOM 1114 CB CYS A 77 -9.023 1.568 -1.809 1.00 0.00 C ATOM 1115 SG CYS A 77 -8.076 1.733 -0.287 1.00 0.00 S ATOM 0 H CYS A 77 -9.462 -0.887 -2.364 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.634 1.065 -0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.435 1.030 -2.553 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.234 2.555 -2.221 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.576 1.694 -1.907 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.693 2.191 -2.695 1.00 0.00 C ATOM 1122 C LEU A 78 -13.681 3.717 -2.680 1.00 0.00 C ATOM 1123 O LEU A 78 -13.201 4.347 -1.734 1.00 0.00 O ATOM 1124 CB LEU A 78 -15.028 1.622 -2.205 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.091 0.084 -2.248 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -16.517 -0.369 -1.913 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.710 -0.491 -3.619 1.00 0.00 C ATOM 0 H LEU A 78 -12.742 1.689 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.580 1.852 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.204 1.957 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.834 2.028 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.369 -0.286 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.569 -1.457 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.785 -0.019 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -17.212 0.047 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.773 -1.579 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.395 -0.110 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.691 -0.194 -3.868 1.00 0.00 H new ATOM 1139 N SER A 79 -14.167 4.288 -3.782 1.00 0.00 N ATOM 1140 CA SER A 79 -14.211 5.715 -4.029 1.00 0.00 C ATOM 1141 C SER A 79 -15.120 6.450 -3.041 1.00 0.00 C ATOM 1142 O SER A 79 -15.901 5.835 -2.315 1.00 0.00 O ATOM 1143 CB SER A 79 -14.657 5.942 -5.477 1.00 0.00 C ATOM 1144 OG SER A 79 -13.933 5.078 -6.341 1.00 0.00 O ATOM 0 H SER A 79 -14.554 3.742 -4.552 1.00 0.00 H new ATOM 0 HA SER A 79 -13.215 6.131 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.727 5.755 -5.572 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.489 6.981 -5.761 1.00 0.00 H new ATOM 0 HG SER A 79 -14.221 5.224 -7.266 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.016 7.776 -3.050 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.749 8.721 -2.240 1.00 0.00 C ATOM 1152 C LYS A 80 -15.720 10.007 -3.072 1.00 0.00 C ATOM 1153 O LYS A 80 -14.769 10.101 -3.886 1.00 0.00 O ATOM 1154 CB LYS A 80 -15.039 8.853 -0.877 1.00 0.00 C ATOM 1155 CG LYS A 80 -15.349 10.143 -0.108 1.00 0.00 C ATOM 1156 CD LYS A 80 -16.844 10.286 0.219 1.00 0.00 C ATOM 1157 CE LYS A 80 -17.229 11.743 0.496 1.00 0.00 C ATOM 1158 NZ LYS A 80 -16.988 12.591 -0.687 1.00 0.00 N ATOM 1159 OXT LYS A 80 -16.637 10.841 -2.912 1.00 0.00 O ATOM 0 H LYS A 80 -14.363 8.246 -3.677 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.777 8.439 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.317 8.002 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.963 8.793 -1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.774 10.158 0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.025 11.001 -0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.436 9.906 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.086 9.675 1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.281 11.797 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.653 12.120 1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.813 13.203 -0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.146 13.180 -0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.835 11.988 -1.521 1.00 0.00 H new TER 1173 LYS A 80