USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 778 hydrogens (103 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 NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A 178 NAG C1 :(H bumps) USER MOD Set 1.1: A 184 NAG O3 : rot 101:sc= -0.95 USER MOD Set 1.2: A 185 GAL O2 : rot 180:sc= -2.22! USER MOD Set 2.1: A 183 NAG O3 : rot -107:sc= -3.13! USER MOD Set 2.2: A 186 GAL O6 : rot 180:sc= 0.495 USER MOD Set 3.1: A 86 THR OG1 : rot -150:sc= -0.358 USER MOD Set 3.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -144:sc= -0.0067 (180deg=-0.611) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 53:sc= 0.232! USER MOD Single : A 13 GLN : amide:sc= -7.55! C(o=-7.5!,f=-10!) USER MOD Single : A 15 ASN : amide:sc= -19.5! C(o=-20!,f=-19!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.17) USER MOD Single : A 27 GLN : amide:sc= -0.539 X(o=-0.54,f=-0.11) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0484 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -72:sc= 0.333 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -113:sc= -0.079 (180deg=-1.22) USER MOD Single : A 46 THR OG1 : rot -35:sc= 0.487 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.305 K(o=-0.3,f=-2.7!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0288 K(o=-0.029,f=-1.5) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 55 SER OG : rot -110:sc= 0.435 USER MOD Single : A 57 SER OG : rot 180:sc= 0.15 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.13! C(o=-2.1!,f=-6.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -16.9! C(o=-17!,f=-23!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.68 USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.842 F(o=-2.3,f=-0.84) USER MOD Single : A 85 SER OG : rot 180:sc= -0.45 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.57) USER MOD Single : A 91 LYS NZ :NH3+ -157:sc= -0.106 (180deg=-0.518) USER MOD Single : A 92 SER OG : rot 52:sc= 0.00133 USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot 180:sc= 0 USER MOD Single : A 179 NAG O3 : rot 180:sc= 0 USER MOD Single : A 179 NAG O6 : rot 180:sc= 0 USER MOD Single : A 180 BMA O2 : rot -22:sc= -1.8! USER MOD Single : A 180 BMA O4 : rot -177:sc= -0.2 USER MOD Single : A 181 MAN O3 : rot -3:sc= 1.06 USER MOD Single : A 181 MAN O4 : rot -155:sc= 1.04 USER MOD Single : A 181 MAN O6 : rot 180:sc= 0.951 USER MOD Single : A 182 MAN O3 : rot 22:sc= 0.0587 USER MOD Single : A 182 MAN O4 : rot -153:sc= 0.997 USER MOD Single : A 182 MAN O6 : rot 180:sc= 0.856 USER MOD Single : A 183 NAG O6 : rot 27:sc= 1.12 USER MOD Single : A 184 NAG O6 : rot 20:sc= 1.09 USER MOD Single : A 185 GAL O3 : rot 93:sc= 0.084 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.0962 USER MOD Single : A 185 GAL O6 : rot -27:sc= 0.0413 USER MOD Single : A 186 GAL O2 : rot 180:sc= 0 USER MOD Single : A 186 GAL O3 : rot 97:sc= 0.0903 USER MOD Single : A 186 GAL O4 : rot 91:sc= 0.0918 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.527 16.188 -9.607 1.00 0.00 N ATOM 2 CA ALA A 1 -13.349 15.457 -9.073 1.00 0.00 C ATOM 3 C ALA A 1 -13.675 13.982 -8.862 1.00 0.00 C ATOM 4 O ALA A 1 -13.937 13.548 -7.741 1.00 0.00 O ATOM 5 CB ALA A 1 -12.882 16.088 -7.769 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.209 16.916 -10.278 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.159 15.520 -10.094 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.039 16.640 -8.823 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.544 15.527 -9.804 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.018 15.542 -7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.605 17.127 -7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.688 16.047 -7.036 1.00 0.00 H new ATOM 13 N PRO A 2 -13.663 13.195 -9.947 1.00 0.00 N ATOM 14 CA PRO A 2 -13.959 11.763 -9.891 1.00 0.00 C ATOM 15 C PRO A 2 -13.207 11.057 -8.770 1.00 0.00 C ATOM 16 O PRO A 2 -12.270 11.607 -8.193 1.00 0.00 O ATOM 17 CB PRO A 2 -13.484 11.253 -11.251 1.00 0.00 C ATOM 18 CG PRO A 2 -13.610 12.424 -12.163 1.00 0.00 C ATOM 19 CD PRO A 2 -13.360 13.646 -11.318 1.00 0.00 C ATOM 0 HA PRO A 2 -15.013 11.573 -9.690 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.454 10.898 -11.203 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.093 10.417 -11.595 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.890 12.361 -12.979 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.601 12.460 -12.615 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.330 13.990 -11.407 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.000 14.476 -11.616 1.00 0.00 H new ATOM 27 N ASP A 3 -13.624 9.833 -8.470 1.00 0.00 N ATOM 28 CA ASP A 3 -12.989 9.046 -7.421 1.00 0.00 C ATOM 29 C ASP A 3 -12.053 8.002 -8.022 1.00 0.00 C ATOM 30 O ASP A 3 -11.941 7.885 -9.242 1.00 0.00 O ATOM 31 CB ASP A 3 -14.047 8.363 -6.555 1.00 0.00 C ATOM 32 CG ASP A 3 -14.184 9.011 -5.192 1.00 0.00 C ATOM 33 OD1 ASP A 3 -13.148 9.387 -4.607 1.00 0.00 O ATOM 34 OD2 ASP A 3 -15.330 9.144 -4.712 1.00 0.00 O ATOM 0 H ASP A 3 -14.399 9.364 -8.939 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.402 9.720 -6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.008 8.395 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.787 7.312 -6.430 1.00 0.00 H new ATOM 39 N VAL A 4 -11.383 7.247 -7.159 1.00 0.00 N ATOM 40 CA VAL A 4 -10.457 6.216 -7.610 1.00 0.00 C ATOM 41 C VAL A 4 -11.202 4.971 -8.078 1.00 0.00 C ATOM 42 O VAL A 4 -12.240 4.610 -7.521 1.00 0.00 O ATOM 43 CB VAL A 4 -9.471 5.816 -6.494 1.00 0.00 C ATOM 44 CG1 VAL A 4 -8.523 4.730 -6.978 1.00 0.00 C ATOM 45 CG2 VAL A 4 -8.697 7.030 -6.005 1.00 0.00 C ATOM 0 H VAL A 4 -11.464 7.329 -6.146 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.900 6.640 -8.445 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.044 5.417 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.836 4.463 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.097 3.851 -7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.956 5.097 -7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.006 6.728 -5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.136 7.462 -6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.393 7.771 -5.612 1.00 0.00 H new ATOM 55 N GLN A 5 -10.665 4.317 -9.103 1.00 0.00 N ATOM 56 CA GLN A 5 -11.275 3.109 -9.646 1.00 0.00 C ATOM 57 C GLN A 5 -10.650 1.861 -9.030 1.00 0.00 C ATOM 58 O GLN A 5 -9.887 1.948 -8.066 1.00 0.00 O ATOM 59 CB GLN A 5 -11.119 3.074 -11.166 1.00 0.00 C ATOM 60 CG GLN A 5 -12.302 2.442 -11.880 1.00 0.00 C ATOM 61 CD GLN A 5 -13.220 3.470 -12.512 1.00 0.00 C ATOM 62 OE1 GLN A 5 -13.702 4.384 -11.843 1.00 0.00 O ATOM 63 NE2 GLN A 5 -13.468 3.323 -13.808 1.00 0.00 N ATOM 0 H GLN A 5 -9.807 4.604 -9.575 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.336 3.123 -9.397 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.984 4.091 -11.533 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.214 2.521 -11.418 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.936 1.764 -12.651 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.870 1.840 -11.171 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -13.047 2.550 -14.323 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -14.080 3.983 -14.288 1.00 0.00 H new ATOM 72 N ASP A 6 -10.976 0.699 -9.589 1.00 0.00 N ATOM 73 CA ASP A 6 -10.443 -0.564 -9.089 1.00 0.00 C ATOM 74 C ASP A 6 -9.150 -0.934 -9.808 1.00 0.00 C ATOM 75 O ASP A 6 -8.933 -0.546 -10.955 1.00 0.00 O ATOM 76 CB ASP A 6 -11.470 -1.685 -9.255 1.00 0.00 C ATOM 77 CG ASP A 6 -11.537 -2.586 -8.038 1.00 0.00 C ATOM 78 OD1 ASP A 6 -11.161 -2.126 -6.939 1.00 0.00 O ATOM 79 OD2 ASP A 6 -11.963 -3.751 -8.182 1.00 0.00 O ATOM 0 H ASP A 6 -11.605 0.606 -10.386 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.226 -0.437 -8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.453 -1.251 -9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.217 -2.280 -10.132 1.00 0.00 H new ATOM 84 N CYS A 7 -8.294 -1.687 -9.124 1.00 0.00 N ATOM 85 CA CYS A 7 -7.021 -2.109 -9.698 1.00 0.00 C ATOM 86 C CYS A 7 -6.263 -3.012 -8.728 1.00 0.00 C ATOM 87 O CYS A 7 -6.705 -3.239 -7.602 1.00 0.00 O ATOM 88 CB CYS A 7 -6.176 -0.884 -10.064 1.00 0.00 C ATOM 89 SG CYS A 7 -4.826 -0.517 -8.895 1.00 0.00 S ATOM 0 H CYS A 7 -8.458 -2.017 -8.173 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.222 -2.680 -10.605 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.749 -1.036 -11.055 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.830 -0.014 -10.129 1.00 0.00 H new ATOM 94 N PRO A 8 -5.106 -3.540 -9.156 1.00 0.00 N ATOM 95 CA PRO A 8 -4.284 -4.418 -8.331 1.00 0.00 C ATOM 96 C PRO A 8 -4.305 -4.027 -6.857 1.00 0.00 C ATOM 97 O PRO A 8 -4.284 -2.843 -6.518 1.00 0.00 O ATOM 98 CB PRO A 8 -2.892 -4.222 -8.926 1.00 0.00 C ATOM 99 CG PRO A 8 -3.132 -3.943 -10.373 1.00 0.00 C ATOM 100 CD PRO A 8 -4.505 -3.319 -10.484 1.00 0.00 C ATOM 0 HA PRO A 8 -4.634 -5.450 -8.343 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.369 -3.395 -8.445 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.275 -5.111 -8.791 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.370 -3.270 -10.767 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.078 -4.862 -10.957 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.443 -2.257 -10.722 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.094 -3.788 -11.272 1.00 0.00 H new ATOM 108 N GLU A 9 -4.351 -5.031 -5.985 1.00 0.00 N ATOM 109 CA GLU A 9 -4.381 -4.793 -4.546 1.00 0.00 C ATOM 110 C GLU A 9 -3.294 -3.806 -4.133 1.00 0.00 C ATOM 111 O GLU A 9 -2.108 -4.138 -4.115 1.00 0.00 O ATOM 112 CB GLU A 9 -4.212 -6.111 -3.785 1.00 0.00 C ATOM 113 CG GLU A 9 -4.747 -6.063 -2.363 1.00 0.00 C ATOM 114 CD GLU A 9 -5.304 -7.399 -1.909 1.00 0.00 C ATOM 115 OE1 GLU A 9 -6.490 -7.671 -2.185 1.00 0.00 O ATOM 116 OE2 GLU A 9 -4.552 -8.172 -1.278 1.00 0.00 O ATOM 0 H GLU A 9 -4.368 -6.016 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.350 -4.360 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.723 -6.904 -4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.154 -6.373 -3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.948 -5.757 -1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.528 -5.306 -2.297 1.00 0.00 H new ATOM 123 N CYS A 10 -3.712 -2.588 -3.804 1.00 0.00 N ATOM 124 CA CYS A 10 -2.784 -1.541 -3.392 1.00 0.00 C ATOM 125 C CYS A 10 -1.745 -2.078 -2.412 1.00 0.00 C ATOM 126 O CYS A 10 -2.087 -2.678 -1.393 1.00 0.00 O ATOM 127 CB CYS A 10 -3.551 -0.381 -2.751 1.00 0.00 C ATOM 128 SG CYS A 10 -2.581 0.581 -1.543 1.00 0.00 S ATOM 0 H CYS A 10 -4.691 -2.301 -3.815 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.263 -1.185 -4.281 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.898 0.289 -3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.438 -0.776 -2.255 1.00 0.00 H new ATOM 133 N THR A 11 -0.474 -1.847 -2.725 1.00 0.00 N ATOM 134 CA THR A 11 0.621 -2.292 -1.874 1.00 0.00 C ATOM 135 C THR A 11 1.954 -1.949 -2.503 1.00 0.00 C ATOM 136 O THR A 11 2.015 -1.220 -3.490 1.00 0.00 O ATOM 137 CB THR A 11 0.547 -3.795 -1.614 1.00 0.00 C ATOM 138 OG1 THR A 11 1.605 -4.205 -0.766 1.00 0.00 O ATOM 139 CG2 THR A 11 0.623 -4.626 -2.876 1.00 0.00 C ATOM 0 H THR A 11 -0.177 -1.352 -3.566 1.00 0.00 H new ATOM 0 HA THR A 11 0.528 -1.772 -0.920 1.00 0.00 H new ATOM 0 HB THR A 11 -0.424 -3.962 -1.148 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.609 -3.652 0.043 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.565 -5.684 -2.619 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.207 -4.366 -3.533 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.566 -4.428 -3.386 1.00 0.00 H new ATOM 147 N LEU A 12 3.015 -2.472 -1.918 1.00 0.00 N ATOM 148 CA LEU A 12 4.357 -2.215 -2.405 1.00 0.00 C ATOM 149 C LEU A 12 4.712 -3.098 -3.579 1.00 0.00 C ATOM 150 O LEU A 12 4.462 -4.302 -3.569 1.00 0.00 O ATOM 151 CB LEU A 12 5.351 -2.423 -1.284 1.00 0.00 C ATOM 152 CG LEU A 12 5.279 -1.371 -0.192 1.00 0.00 C ATOM 153 CD1 LEU A 12 3.922 -1.414 0.489 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.384 -1.598 0.816 1.00 0.00 C ATOM 0 H LEU A 12 2.973 -3.081 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 12 4.395 -1.182 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.183 -3.404 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.358 -2.430 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 12 5.410 -0.386 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.883 -0.655 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.140 -1.220 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.768 -2.398 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.326 -0.839 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.272 -2.586 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.351 -1.532 0.317 1.00 0.00 H new ATOM 166 N GLN A 13 5.311 -2.487 -4.588 1.00 0.00 N ATOM 167 CA GLN A 13 5.716 -3.222 -5.770 1.00 0.00 C ATOM 168 C GLN A 13 7.210 -3.164 -5.968 1.00 0.00 C ATOM 169 O GLN A 13 7.703 -2.719 -7.003 1.00 0.00 O ATOM 170 CB GLN A 13 5.026 -2.696 -7.002 1.00 0.00 C ATOM 171 CG GLN A 13 3.654 -3.304 -7.237 1.00 0.00 C ATOM 172 CD GLN A 13 3.012 -2.832 -8.528 1.00 0.00 C ATOM 173 OE1 GLN A 13 3.584 -2.023 -9.259 1.00 0.00 O ATOM 174 NE2 GLN A 13 1.818 -3.336 -8.813 1.00 0.00 N ATOM 0 H GLN A 13 5.526 -1.490 -4.611 1.00 0.00 H new ATOM 0 HA GLN A 13 5.422 -4.260 -5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.925 -1.614 -6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.654 -2.891 -7.871 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.742 -4.390 -7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.003 -3.052 -6.400 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.382 -4.004 -8.178 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.337 -3.055 -9.667 1.00 0.00 H new ATOM 183 N GLU A 14 7.901 -3.620 -4.952 1.00 0.00 N ATOM 184 CA GLU A 14 9.362 -3.655 -4.926 1.00 0.00 C ATOM 185 C GLU A 14 9.965 -2.936 -6.120 1.00 0.00 C ATOM 186 O GLU A 14 9.739 -3.294 -7.276 1.00 0.00 O ATOM 187 CB GLU A 14 9.878 -5.086 -4.880 1.00 0.00 C ATOM 188 CG GLU A 14 11.100 -5.265 -3.990 1.00 0.00 C ATOM 189 CD GLU A 14 11.363 -6.718 -3.640 1.00 0.00 C ATOM 190 OE1 GLU A 14 11.773 -7.481 -4.539 1.00 0.00 O ATOM 191 OE2 GLU A 14 11.158 -7.092 -2.465 1.00 0.00 O ATOM 0 H GLU A 14 7.468 -3.985 -4.103 1.00 0.00 H new ATOM 0 HA GLU A 14 9.671 -3.136 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.081 -5.739 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.126 -5.407 -5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.974 -4.853 -4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.962 -4.694 -3.072 1.00 0.00 H new ATOM 198 N ASN A 15 10.736 -1.925 -5.808 1.00 0.00 N ATOM 199 CA ASN A 15 11.403 -1.111 -6.808 1.00 0.00 C ATOM 200 C ASN A 15 11.926 -1.951 -7.965 1.00 0.00 C ATOM 201 O ASN A 15 12.651 -2.925 -7.762 1.00 0.00 O ATOM 202 CB ASN A 15 12.550 -0.358 -6.165 1.00 0.00 C ATOM 203 CG ASN A 15 12.620 1.081 -6.616 1.00 0.00 C ATOM 204 OD1 ASN A 15 11.952 1.485 -7.568 1.00 0.00 O ATOM 205 ND2 ASN A 15 13.440 1.859 -5.931 1.00 0.00 N ATOM 0 H ASN A 15 10.924 -1.637 -4.848 1.00 0.00 H new ATOM 0 HA ASN A 15 10.672 -0.409 -7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.440 -0.391 -5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.489 -0.857 -6.406 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.541 2.842 -6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.972 1.476 -5.149 1.00 0.00 H new ATOM 212 N PRO A 16 11.582 -1.567 -9.202 1.00 0.00 N ATOM 213 CA PRO A 16 12.034 -2.267 -10.396 1.00 0.00 C ATOM 214 C PRO A 16 13.404 -1.773 -10.837 1.00 0.00 C ATOM 215 O PRO A 16 13.717 -1.740 -12.026 1.00 0.00 O ATOM 216 CB PRO A 16 10.968 -1.895 -11.421 1.00 0.00 C ATOM 217 CG PRO A 16 10.542 -0.517 -11.031 1.00 0.00 C ATOM 218 CD PRO A 16 10.740 -0.405 -9.537 1.00 0.00 C ATOM 0 HA PRO A 16 12.146 -3.341 -10.251 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.368 -1.915 -12.435 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.131 -2.592 -11.394 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.133 0.233 -11.557 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.499 -0.345 -11.297 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.227 0.532 -9.268 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.789 -0.434 -9.005 1.00 0.00 H new ATOM 226 N PHE A 17 14.208 -1.377 -9.858 1.00 0.00 N ATOM 227 CA PHE A 17 15.545 -0.868 -10.116 1.00 0.00 C ATOM 228 C PHE A 17 16.478 -1.210 -8.969 1.00 0.00 C ATOM 229 O PHE A 17 17.530 -1.821 -9.156 1.00 0.00 O ATOM 230 CB PHE A 17 15.506 0.647 -10.275 1.00 0.00 C ATOM 231 CG PHE A 17 16.855 1.242 -10.549 1.00 0.00 C ATOM 232 CD1 PHE A 17 17.673 0.699 -11.525 1.00 0.00 C ATOM 233 CD2 PHE A 17 17.307 2.334 -9.828 1.00 0.00 C ATOM 234 CE1 PHE A 17 18.919 1.236 -11.781 1.00 0.00 C ATOM 235 CE2 PHE A 17 18.554 2.877 -10.079 1.00 0.00 C ATOM 236 CZ PHE A 17 19.360 2.326 -11.058 1.00 0.00 C ATOM 0 H PHE A 17 13.952 -1.400 -8.871 1.00 0.00 H new ATOM 0 HA PHE A 17 15.910 -1.331 -11.033 1.00 0.00 H new ATOM 0 HB2 PHE A 17 14.829 0.904 -11.090 1.00 0.00 H new ATOM 0 HB3 PHE A 17 15.096 1.092 -9.368 1.00 0.00 H new ATOM 0 HD1 PHE A 17 17.333 -0.154 -12.093 1.00 0.00 H new ATOM 0 HD2 PHE A 17 16.680 2.766 -9.062 1.00 0.00 H new ATOM 0 HE1 PHE A 17 19.548 0.804 -12.546 1.00 0.00 H new ATOM 0 HE2 PHE A 17 18.897 3.729 -9.512 1.00 0.00 H new ATOM 0 HZ PHE A 17 20.334 2.748 -11.257 1.00 0.00 H new ATOM 246 N PHE A 18 16.074 -0.793 -7.782 1.00 0.00 N ATOM 247 CA PHE A 18 16.853 -1.027 -6.578 1.00 0.00 C ATOM 248 C PHE A 18 16.826 -2.497 -6.194 1.00 0.00 C ATOM 249 O PHE A 18 17.738 -2.993 -5.534 1.00 0.00 O ATOM 250 CB PHE A 18 16.296 -0.190 -5.433 1.00 0.00 C ATOM 251 CG PHE A 18 17.334 0.618 -4.711 1.00 0.00 C ATOM 252 CD1 PHE A 18 18.364 -0.005 -4.029 1.00 0.00 C ATOM 253 CD2 PHE A 18 17.275 2.002 -4.713 1.00 0.00 C ATOM 254 CE1 PHE A 18 19.320 0.737 -3.362 1.00 0.00 C ATOM 255 CE2 PHE A 18 18.227 2.749 -4.047 1.00 0.00 C ATOM 256 CZ PHE A 18 19.251 2.117 -3.370 1.00 0.00 C ATOM 0 H PHE A 18 15.203 -0.286 -7.625 1.00 0.00 H new ATOM 0 HA PHE A 18 17.885 -0.738 -6.775 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.533 0.483 -5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 18 15.802 -0.850 -4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.421 -1.083 -4.018 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.476 2.502 -5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 18 20.120 0.239 -2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 18 18.170 3.827 -4.056 1.00 0.00 H new ATOM 0 HZ PHE A 18 19.996 2.700 -2.848 1.00 0.00 H new ATOM 266 N SER A 19 15.766 -3.184 -6.604 1.00 0.00 N ATOM 267 CA SER A 19 15.611 -4.600 -6.294 1.00 0.00 C ATOM 268 C SER A 19 16.866 -5.381 -6.670 1.00 0.00 C ATOM 269 O SER A 19 16.927 -6.008 -7.728 1.00 0.00 O ATOM 270 CB SER A 19 14.393 -5.175 -7.023 1.00 0.00 C ATOM 271 OG SER A 19 14.194 -6.537 -6.688 1.00 0.00 O ATOM 0 H SER A 19 15.003 -2.785 -7.151 1.00 0.00 H new ATOM 0 HA SER A 19 15.457 -4.696 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.505 -4.600 -6.763 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.531 -5.079 -8.100 1.00 0.00 H new ATOM 0 HG SER A 19 13.410 -6.880 -7.165 1.00 0.00 H new ATOM 277 N GLN A 20 17.867 -5.337 -5.796 1.00 0.00 N ATOM 278 CA GLN A 20 19.125 -6.035 -6.034 1.00 0.00 C ATOM 279 C GLN A 20 19.430 -7.012 -4.908 1.00 0.00 C ATOM 280 O GLN A 20 18.913 -6.879 -3.799 1.00 0.00 O ATOM 281 CB GLN A 20 20.273 -5.032 -6.163 1.00 0.00 C ATOM 282 CG GLN A 20 20.034 -3.960 -7.212 1.00 0.00 C ATOM 283 CD GLN A 20 20.185 -4.488 -8.625 1.00 0.00 C ATOM 284 OE1 GLN A 20 21.135 -4.147 -9.330 1.00 0.00 O ATOM 285 NE2 GLN A 20 19.246 -5.328 -9.047 1.00 0.00 N ATOM 0 H GLN A 20 17.831 -4.824 -4.915 1.00 0.00 H new ATOM 0 HA GLN A 20 19.025 -6.594 -6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.435 -4.553 -5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.188 -5.571 -6.409 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.032 -3.549 -7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.736 -3.141 -7.057 1.00 0.00 H new ATOM 0 HE21 GLN A 20 18.476 -5.584 -8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 20 19.296 -5.717 -9.989 1.00 0.00 H new ATOM 294 N PRO A 21 20.286 -8.006 -5.181 1.00 0.00 N ATOM 295 CA PRO A 21 20.675 -9.012 -4.189 1.00 0.00 C ATOM 296 C PRO A 21 21.141 -8.374 -2.886 1.00 0.00 C ATOM 297 O PRO A 21 22.340 -8.290 -2.618 1.00 0.00 O ATOM 298 CB PRO A 21 21.830 -9.750 -4.868 1.00 0.00 C ATOM 299 CG PRO A 21 21.576 -9.582 -6.327 1.00 0.00 C ATOM 300 CD PRO A 21 20.946 -8.225 -6.480 1.00 0.00 C ATOM 0 HA PRO A 21 19.845 -9.662 -3.912 1.00 0.00 H new ATOM 0 HB2 PRO A 21 22.793 -9.328 -4.582 1.00 0.00 H new ATOM 0 HB3 PRO A 21 21.848 -10.803 -4.587 1.00 0.00 H new ATOM 0 HG2 PRO A 21 22.504 -9.649 -6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 21 20.916 -10.364 -6.701 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.691 -7.457 -6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.231 -8.204 -7.302 1.00 0.00 H new ATOM 308 N GLY A 22 20.186 -7.920 -2.082 1.00 0.00 N ATOM 309 CA GLY A 22 20.514 -7.290 -0.818 1.00 0.00 C ATOM 310 C GLY A 22 19.663 -6.070 -0.538 1.00 0.00 C ATOM 311 O GLY A 22 19.570 -5.621 0.605 1.00 0.00 O ATOM 0 H GLY A 22 19.188 -7.978 -2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.384 -8.012 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.565 -7.002 -0.822 1.00 0.00 H new ATOM 315 N ALA A 23 19.045 -5.524 -1.580 1.00 0.00 N ATOM 316 CA ALA A 23 18.207 -4.342 -1.427 1.00 0.00 C ATOM 317 C ALA A 23 17.048 -4.346 -2.399 1.00 0.00 C ATOM 318 O ALA A 23 17.200 -4.088 -3.592 1.00 0.00 O ATOM 319 CB ALA A 23 19.045 -3.086 -1.584 1.00 0.00 C ATOM 0 H ALA A 23 19.108 -5.879 -2.534 1.00 0.00 H new ATOM 0 HA ALA A 23 17.781 -4.358 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.410 -2.208 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.826 -3.072 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.502 -3.075 -2.573 1.00 0.00 H new ATOM 325 N PRO A 24 15.874 -4.684 -1.875 1.00 0.00 N ATOM 326 CA PRO A 24 14.644 -4.790 -2.619 1.00 0.00 C ATOM 327 C PRO A 24 13.681 -3.645 -2.367 1.00 0.00 C ATOM 328 O PRO A 24 12.586 -3.845 -1.843 1.00 0.00 O ATOM 329 CB PRO A 24 14.104 -6.093 -2.044 1.00 0.00 C ATOM 330 CG PRO A 24 14.588 -6.121 -0.615 1.00 0.00 C ATOM 331 CD PRO A 24 15.646 -5.057 -0.485 1.00 0.00 C ATOM 0 HA PRO A 24 14.783 -4.762 -3.700 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.016 -6.124 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.473 -6.953 -2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 24 13.765 -5.932 0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.994 -7.101 -0.365 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.304 -4.212 0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.551 -5.437 -0.011 1.00 0.00 H new ATOM 339 N ILE A 25 14.096 -2.453 -2.756 1.00 0.00 N ATOM 340 CA ILE A 25 13.297 -1.267 -2.605 1.00 0.00 C ATOM 341 C ILE A 25 11.842 -1.487 -2.989 1.00 0.00 C ATOM 342 O ILE A 25 11.416 -2.618 -3.212 1.00 0.00 O ATOM 343 CB ILE A 25 13.918 -0.161 -3.432 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.258 0.157 -2.830 1.00 0.00 C ATOM 345 CG2 ILE A 25 13.044 1.072 -3.407 1.00 0.00 C ATOM 346 CD1 ILE A 25 15.129 0.414 -1.358 1.00 0.00 C ATOM 0 H ILE A 25 15.005 -2.288 -3.188 1.00 0.00 H new ATOM 0 HA ILE A 25 13.286 -0.988 -1.551 1.00 0.00 H new ATOM 0 HB ILE A 25 14.022 -0.481 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.945 -0.672 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.685 1.031 -3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.505 1.857 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.063 0.831 -3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.932 1.418 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 25 16.110 0.642 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.459 1.258 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.724 -0.471 -0.868 1.00 0.00 H new ATOM 358 N LEU A 26 11.061 -0.411 -2.982 1.00 0.00 N ATOM 359 CA LEU A 26 9.639 -0.513 -3.234 1.00 0.00 C ATOM 360 C LEU A 26 9.024 0.717 -3.851 1.00 0.00 C ATOM 361 O LEU A 26 9.693 1.584 -4.403 1.00 0.00 O ATOM 362 CB LEU A 26 8.996 -0.731 -1.894 1.00 0.00 C ATOM 363 CG LEU A 26 10.021 -0.964 -0.806 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.480 -0.572 0.552 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.485 -2.411 -0.801 1.00 0.00 C ATOM 0 H LEU A 26 11.394 0.537 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 26 9.480 -1.320 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.387 0.136 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.324 -1.588 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 26 10.881 -0.329 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.240 -0.751 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.215 0.485 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.595 -1.167 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.222 -2.554 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.632 -3.066 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.935 -2.652 -1.764 1.00 0.00 H new ATOM 377 N GLN A 27 7.713 0.755 -3.717 1.00 0.00 N ATOM 378 CA GLN A 27 6.910 1.861 -4.220 1.00 0.00 C ATOM 379 C GLN A 27 5.451 1.443 -4.387 1.00 0.00 C ATOM 380 O GLN A 27 5.017 1.067 -5.475 1.00 0.00 O ATOM 381 CB GLN A 27 7.485 2.377 -5.539 1.00 0.00 C ATOM 382 CG GLN A 27 6.505 3.207 -6.351 1.00 0.00 C ATOM 383 CD GLN A 27 6.971 4.638 -6.540 1.00 0.00 C ATOM 384 OE1 GLN A 27 6.824 5.214 -7.618 1.00 0.00 O ATOM 385 NE2 GLN A 27 7.537 5.219 -5.488 1.00 0.00 N ATOM 0 H GLN A 27 7.171 0.023 -3.258 1.00 0.00 H new ATOM 0 HA GLN A 27 6.943 2.670 -3.491 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.369 2.978 -5.329 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.812 1.528 -6.139 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.363 2.743 -7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.535 3.207 -5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.638 4.703 -4.614 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.870 6.181 -5.554 1.00 0.00 H new ATOM 394 N CYS A 28 4.709 1.507 -3.284 1.00 0.00 N ATOM 395 CA CYS A 28 3.298 1.131 -3.266 1.00 0.00 C ATOM 396 C CYS A 28 2.660 1.332 -4.640 1.00 0.00 C ATOM 397 O CYS A 28 2.477 2.464 -5.086 1.00 0.00 O ATOM 398 CB CYS A 28 2.522 1.940 -2.216 1.00 0.00 C ATOM 399 SG CYS A 28 1.628 0.912 -0.997 1.00 0.00 S ATOM 0 H CYS A 28 5.067 1.820 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 28 3.248 0.074 -3.003 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.218 2.591 -1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.807 2.586 -2.726 1.00 0.00 H new ATOM 404 N MET A 29 2.321 0.232 -5.307 1.00 0.00 N ATOM 405 CA MET A 29 1.705 0.308 -6.629 1.00 0.00 C ATOM 406 C MET A 29 0.414 -0.505 -6.683 1.00 0.00 C ATOM 407 O MET A 29 0.442 -1.736 -6.698 1.00 0.00 O ATOM 408 CB MET A 29 2.679 -0.184 -7.699 1.00 0.00 C ATOM 409 CG MET A 29 3.571 0.912 -8.263 1.00 0.00 C ATOM 410 SD MET A 29 2.641 2.372 -8.767 1.00 0.00 S ATOM 411 CE MET A 29 3.422 2.746 -10.335 1.00 0.00 C ATOM 0 H MET A 29 2.461 -0.716 -4.957 1.00 0.00 H new ATOM 0 HA MET A 29 1.459 1.352 -6.824 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.306 -0.968 -7.274 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.113 -0.635 -8.514 1.00 0.00 H new ATOM 0 HG2 MET A 29 4.309 1.197 -7.513 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.121 0.523 -9.120 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.955 3.628 -10.773 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.483 2.938 -10.176 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.304 1.899 -11.011 1.00 0.00 H new ATOM 421 N GLY A 30 -0.715 0.197 -6.711 1.00 0.00 N ATOM 422 CA GLY A 30 -2.004 -0.464 -6.764 1.00 0.00 C ATOM 423 C GLY A 30 -3.139 0.450 -6.347 1.00 0.00 C ATOM 424 O GLY A 30 -3.003 1.673 -6.383 1.00 0.00 O ATOM 0 H GLY A 30 -0.758 1.216 -6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.184 -0.823 -7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.988 -1.339 -6.114 1.00 0.00 H new ATOM 428 N CYS A 31 -4.259 -0.142 -5.947 1.00 0.00 N ATOM 429 CA CYS A 31 -5.422 0.629 -5.519 1.00 0.00 C ATOM 430 C CYS A 31 -6.298 -0.188 -4.574 1.00 0.00 C ATOM 431 O CYS A 31 -7.065 -1.046 -5.013 1.00 0.00 O ATOM 432 CB CYS A 31 -6.242 1.078 -6.733 1.00 0.00 C ATOM 433 SG CYS A 31 -5.252 1.357 -8.238 1.00 0.00 S ATOM 0 H CYS A 31 -4.387 -1.153 -5.910 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.065 1.510 -4.986 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.000 0.324 -6.945 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.769 1.999 -6.482 1.00 0.00 H new ATOM 438 N CYS A 32 -6.182 0.082 -3.276 1.00 0.00 N ATOM 439 CA CYS A 32 -6.969 -0.633 -2.277 1.00 0.00 C ATOM 440 C CYS A 32 -8.456 -0.551 -2.607 1.00 0.00 C ATOM 441 O CYS A 32 -8.866 0.209 -3.485 1.00 0.00 O ATOM 442 CB CYS A 32 -6.711 -0.070 -0.877 1.00 0.00 C ATOM 443 SG CYS A 32 -6.343 1.716 -0.842 1.00 0.00 S ATOM 0 H CYS A 32 -5.553 0.788 -2.893 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.663 -1.679 -2.292 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.585 -0.261 -0.255 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.877 -0.610 -0.429 1.00 0.00 H new ATOM 448 N PHE A 33 -9.261 -1.337 -1.900 1.00 0.00 N ATOM 449 CA PHE A 33 -10.702 -1.350 -2.124 1.00 0.00 C ATOM 450 C PHE A 33 -11.439 -1.925 -0.920 1.00 0.00 C ATOM 451 O PHE A 33 -10.849 -2.614 -0.087 1.00 0.00 O ATOM 452 CB PHE A 33 -11.034 -2.164 -3.376 1.00 0.00 C ATOM 453 CG PHE A 33 -10.433 -3.540 -3.369 1.00 0.00 C ATOM 454 CD1 PHE A 33 -9.060 -3.710 -3.308 1.00 0.00 C ATOM 455 CD2 PHE A 33 -11.243 -4.664 -3.423 1.00 0.00 C ATOM 456 CE1 PHE A 33 -8.503 -4.975 -3.301 1.00 0.00 C ATOM 457 CE2 PHE A 33 -10.691 -5.932 -3.417 1.00 0.00 C ATOM 458 CZ PHE A 33 -9.319 -6.087 -3.355 1.00 0.00 C ATOM 0 H PHE A 33 -8.941 -1.972 -1.169 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.031 -0.321 -2.267 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.117 -2.249 -3.469 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.680 -1.625 -4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.417 -2.844 -3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.316 -4.548 -3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.431 -5.093 -3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -11.332 -6.800 -3.461 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.886 -7.076 -3.349 1.00 0.00 H new ATOM 468 N SER A 34 -12.732 -1.634 -0.833 1.00 0.00 N ATOM 469 CA SER A 34 -13.557 -2.114 0.267 1.00 0.00 C ATOM 470 C SER A 34 -13.456 -3.631 0.410 1.00 0.00 C ATOM 471 O SER A 34 -13.575 -4.170 1.510 1.00 0.00 O ATOM 472 CB SER A 34 -15.016 -1.706 0.053 1.00 0.00 C ATOM 473 OG SER A 34 -15.106 -0.423 -0.546 1.00 0.00 O ATOM 0 H SER A 34 -13.233 -1.065 -1.515 1.00 0.00 H new ATOM 0 HA SER A 34 -13.189 -1.658 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.513 -2.441 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.539 -1.702 1.009 1.00 0.00 H new ATOM 0 HG SER A 34 -16.049 -0.187 -0.673 1.00 0.00 H new ATOM 479 N ARG A 35 -13.233 -4.313 -0.708 1.00 0.00 N ATOM 480 CA ARG A 35 -13.112 -5.767 -0.708 1.00 0.00 C ATOM 481 C ARG A 35 -14.440 -6.433 -0.360 1.00 0.00 C ATOM 482 O ARG A 35 -14.801 -6.547 0.811 1.00 0.00 O ATOM 483 CB ARG A 35 -12.036 -6.207 0.285 1.00 0.00 C ATOM 484 CG ARG A 35 -10.777 -6.737 -0.379 1.00 0.00 C ATOM 485 CD ARG A 35 -9.989 -7.633 0.561 1.00 0.00 C ATOM 486 NE ARG A 35 -10.745 -8.822 0.940 1.00 0.00 N ATOM 487 CZ ARG A 35 -11.030 -9.810 0.099 1.00 0.00 C ATOM 488 NH1 ARG A 35 -10.624 -9.746 -1.162 1.00 0.00 N ATOM 489 NH2 ARG A 35 -11.721 -10.861 0.518 1.00 0.00 N ATOM 0 H ARG A 35 -13.132 -3.882 -1.627 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.826 -6.079 -1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.773 -5.362 0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.447 -6.980 0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.045 -7.295 -1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.153 -5.902 -0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.057 -7.933 0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.720 -7.073 1.457 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.072 -8.899 1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.093 -8.938 -1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.843 -10.505 -1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.035 -10.912 1.487 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.939 -11.619 -0.129 1.00 0.00 H new ATOM 503 N ALA A 36 -15.161 -6.877 -1.386 1.00 0.00 N ATOM 504 CA ALA A 36 -16.448 -7.537 -1.187 1.00 0.00 C ATOM 505 C ALA A 36 -17.070 -7.960 -2.514 1.00 0.00 C ATOM 506 O ALA A 36 -18.289 -8.086 -2.624 1.00 0.00 O ATOM 507 CB ALA A 36 -17.397 -6.622 -0.434 1.00 0.00 C ATOM 0 H ALA A 36 -14.877 -6.792 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 36 -16.273 -8.436 -0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -18.353 -7.126 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.970 -6.375 0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.551 -5.707 -1.006 1.00 0.00 H new ATOM 513 N TYR A 37 -16.231 -8.176 -3.519 1.00 0.00 N ATOM 514 CA TYR A 37 -16.710 -8.581 -4.835 1.00 0.00 C ATOM 515 C TYR A 37 -15.943 -9.794 -5.354 1.00 0.00 C ATOM 516 O TYR A 37 -15.562 -9.846 -6.523 1.00 0.00 O ATOM 517 CB TYR A 37 -16.583 -7.420 -5.827 1.00 0.00 C ATOM 518 CG TYR A 37 -17.831 -7.187 -6.650 1.00 0.00 C ATOM 519 CD1 TYR A 37 -18.109 -7.976 -7.760 1.00 0.00 C ATOM 520 CD2 TYR A 37 -18.729 -6.180 -6.320 1.00 0.00 C ATOM 521 CE1 TYR A 37 -19.247 -7.767 -8.516 1.00 0.00 C ATOM 522 CE2 TYR A 37 -19.870 -5.966 -7.071 1.00 0.00 C ATOM 523 CZ TYR A 37 -20.124 -6.762 -8.168 1.00 0.00 C ATOM 524 OH TYR A 37 -21.259 -6.552 -8.918 1.00 0.00 O ATOM 0 H TYR A 37 -15.218 -8.078 -3.449 1.00 0.00 H new ATOM 0 HA TYR A 37 -17.760 -8.857 -4.738 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -16.344 -6.509 -5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -15.747 -7.616 -6.498 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -17.425 -8.765 -8.036 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.533 -5.554 -5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.448 -8.389 -9.376 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -20.559 -5.180 -6.800 1.00 0.00 H new ATOM 0 HH TYR A 37 -21.769 -5.807 -8.537 1.00 0.00 H new ATOM 534 N PRO A 38 -15.714 -10.792 -4.487 1.00 0.00 N ATOM 535 CA PRO A 38 -14.995 -12.014 -4.859 1.00 0.00 C ATOM 536 C PRO A 38 -15.816 -12.908 -5.785 1.00 0.00 C ATOM 537 O PRO A 38 -16.828 -12.479 -6.338 1.00 0.00 O ATOM 538 CB PRO A 38 -14.756 -12.707 -3.516 1.00 0.00 C ATOM 539 CG PRO A 38 -15.854 -12.216 -2.637 1.00 0.00 C ATOM 540 CD PRO A 38 -16.143 -10.807 -3.076 1.00 0.00 C ATOM 0 HA PRO A 38 -14.080 -11.799 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.786 -13.792 -3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.778 -12.453 -3.108 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.740 -12.843 -2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -15.556 -12.244 -1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.201 -10.564 -2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -15.591 -10.080 -2.481 1.00 0.00 H new ATOM 548 N THR A 39 -15.370 -14.149 -5.953 1.00 0.00 N ATOM 549 CA THR A 39 -16.060 -15.102 -6.817 1.00 0.00 C ATOM 550 C THR A 39 -16.841 -16.127 -6.000 1.00 0.00 C ATOM 551 O THR A 39 -16.358 -17.230 -5.745 1.00 0.00 O ATOM 552 CB THR A 39 -15.055 -15.823 -7.717 1.00 0.00 C ATOM 553 OG1 THR A 39 -15.651 -16.950 -8.333 1.00 0.00 O ATOM 554 CG2 THR A 39 -13.828 -16.304 -6.971 1.00 0.00 C ATOM 0 H THR A 39 -14.533 -14.519 -5.502 1.00 0.00 H new ATOM 0 HA THR A 39 -16.765 -14.543 -7.432 1.00 0.00 H new ATOM 0 HB THR A 39 -14.748 -15.086 -8.459 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.785 -17.655 -7.666 1.00 0.00 H new ATOM 0 HG21 THR A 39 -13.154 -16.807 -7.665 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.317 -15.452 -6.523 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.128 -17.000 -6.188 1.00 0.00 H new ATOM 562 N PRO A 40 -18.067 -15.774 -5.584 1.00 0.00 N ATOM 563 CA PRO A 40 -18.926 -16.667 -4.797 1.00 0.00 C ATOM 564 C PRO A 40 -19.359 -17.895 -5.592 1.00 0.00 C ATOM 565 O PRO A 40 -18.738 -18.246 -6.596 1.00 0.00 O ATOM 566 CB PRO A 40 -20.139 -15.793 -4.461 1.00 0.00 C ATOM 567 CG PRO A 40 -20.150 -14.736 -5.511 1.00 0.00 C ATOM 568 CD PRO A 40 -18.711 -14.480 -5.854 1.00 0.00 C ATOM 0 HA PRO A 40 -18.412 -17.059 -3.919 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -21.061 -16.374 -4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -20.050 -15.360 -3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -20.708 -15.063 -6.388 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -20.632 -13.829 -5.147 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -18.592 -14.180 -6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -18.287 -13.683 -5.243 1.00 0.00 H new ATOM 576 N LEU A 41 -20.426 -18.544 -5.137 1.00 0.00 N ATOM 577 CA LEU A 41 -20.941 -19.735 -5.806 1.00 0.00 C ATOM 578 C LEU A 41 -21.711 -19.361 -7.071 1.00 0.00 C ATOM 579 O LEU A 41 -22.174 -20.235 -7.802 1.00 0.00 O ATOM 580 CB LEU A 41 -21.848 -20.521 -4.856 1.00 0.00 C ATOM 581 CG LEU A 41 -21.434 -21.974 -4.609 1.00 0.00 C ATOM 582 CD1 LEU A 41 -22.035 -22.887 -5.665 1.00 0.00 C ATOM 583 CD2 LEU A 41 -19.918 -22.105 -4.593 1.00 0.00 C ATOM 0 H LEU A 41 -20.951 -18.266 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.094 -20.358 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -21.880 -20.002 -3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -22.861 -20.512 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 41 -21.815 -22.277 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -21.730 -23.916 -5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -23.122 -22.818 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -21.685 -22.583 -6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -19.645 -23.145 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -19.515 -21.782 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.507 -21.482 -3.799 1.00 0.00 H new ATOM 595 N ARG A 42 -21.842 -18.057 -7.313 1.00 0.00 N ATOM 596 CA ARG A 42 -22.555 -17.538 -8.482 1.00 0.00 C ATOM 597 C ARG A 42 -23.476 -16.393 -8.075 1.00 0.00 C ATOM 598 O ARG A 42 -23.448 -15.316 -8.671 1.00 0.00 O ATOM 599 CB ARG A 42 -23.371 -18.638 -9.170 1.00 0.00 C ATOM 600 CG ARG A 42 -24.290 -18.124 -10.267 1.00 0.00 C ATOM 601 CD ARG A 42 -25.733 -18.045 -9.794 1.00 0.00 C ATOM 602 NE ARG A 42 -26.358 -19.363 -9.736 1.00 0.00 N ATOM 603 CZ ARG A 42 -27.638 -19.558 -9.439 1.00 0.00 C ATOM 604 NH1 ARG A 42 -28.421 -18.526 -9.152 1.00 0.00 N ATOM 605 NH2 ARG A 42 -28.136 -20.786 -9.423 1.00 0.00 N ATOM 0 H ARG A 42 -21.458 -17.332 -6.707 1.00 0.00 H new ATOM 0 HA ARG A 42 -21.811 -17.170 -9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -22.687 -19.372 -9.596 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -23.969 -19.156 -8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -23.957 -17.137 -10.589 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -24.226 -18.781 -11.134 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -25.767 -17.583 -8.807 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -26.301 -17.403 -10.467 1.00 0.00 H new ATOM 0 HE ARG A 42 -25.780 -20.179 -9.935 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -28.040 -17.580 -9.159 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -29.403 -18.679 -8.924 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -27.536 -21.582 -9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -29.119 -20.935 -9.195 1.00 0.00 H new ATOM 619 N SER A 43 -24.290 -16.636 -7.052 1.00 0.00 N ATOM 620 CA SER A 43 -25.222 -15.632 -6.555 1.00 0.00 C ATOM 621 C SER A 43 -24.541 -14.277 -6.406 1.00 0.00 C ATOM 622 O SER A 43 -23.637 -14.109 -5.587 1.00 0.00 O ATOM 623 CB SER A 43 -25.801 -16.072 -5.210 1.00 0.00 C ATOM 624 OG SER A 43 -26.499 -17.299 -5.335 1.00 0.00 O ATOM 0 H SER A 43 -24.322 -17.523 -6.550 1.00 0.00 H new ATOM 0 HA SER A 43 -26.029 -15.532 -7.281 1.00 0.00 H new ATOM 0 HB2 SER A 43 -24.997 -16.179 -4.482 1.00 0.00 H new ATOM 0 HB3 SER A 43 -26.474 -15.303 -4.831 1.00 0.00 H new ATOM 0 HG SER A 43 -26.859 -17.561 -4.462 1.00 0.00 H new ATOM 630 N LYS A 44 -24.986 -13.310 -7.199 1.00 0.00 N ATOM 631 CA LYS A 44 -24.429 -11.964 -7.154 1.00 0.00 C ATOM 632 C LYS A 44 -25.487 -10.966 -6.699 1.00 0.00 C ATOM 633 O LYS A 44 -26.680 -11.267 -6.708 1.00 0.00 O ATOM 634 CB LYS A 44 -23.890 -11.562 -8.528 1.00 0.00 C ATOM 635 CG LYS A 44 -24.308 -12.504 -9.644 1.00 0.00 C ATOM 636 CD LYS A 44 -24.029 -11.907 -11.014 1.00 0.00 C ATOM 637 CE LYS A 44 -24.776 -12.655 -12.105 1.00 0.00 C ATOM 638 NZ LYS A 44 -23.873 -13.079 -13.209 1.00 0.00 N ATOM 0 H LYS A 44 -25.733 -13.434 -7.883 1.00 0.00 H new ATOM 0 HA LYS A 44 -23.607 -11.957 -6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -24.236 -10.556 -8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -22.802 -11.523 -8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -23.774 -13.449 -9.543 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -25.371 -12.727 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -24.324 -10.858 -11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.958 -11.939 -11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -25.261 -13.532 -11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -25.565 -12.019 -12.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -24.423 -13.586 -13.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -23.429 -12.241 -13.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -23.135 -13.707 -12.832 1.00 0.00 H new ATOM 652 N LYS A 45 -25.046 -9.779 -6.300 1.00 0.00 N ATOM 653 CA LYS A 45 -25.964 -8.745 -5.842 1.00 0.00 C ATOM 654 C LYS A 45 -26.850 -9.273 -4.720 1.00 0.00 C ATOM 655 O LYS A 45 -28.071 -9.113 -4.748 1.00 0.00 O ATOM 656 CB LYS A 45 -26.828 -8.253 -7.004 1.00 0.00 C ATOM 657 CG LYS A 45 -26.268 -7.022 -7.696 1.00 0.00 C ATOM 658 CD LYS A 45 -25.249 -7.397 -8.760 1.00 0.00 C ATOM 659 CE LYS A 45 -25.883 -7.461 -10.139 1.00 0.00 C ATOM 660 NZ LYS A 45 -26.071 -8.865 -10.599 1.00 0.00 N ATOM 0 H LYS A 45 -24.062 -9.510 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 45 -25.378 -7.910 -5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -26.932 -9.055 -7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -27.828 -8.028 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -27.081 -6.458 -8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -25.802 -6.369 -6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.440 -6.667 -8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -24.806 -8.363 -8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -26.847 -6.953 -10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -25.256 -6.926 -10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -25.448 -9.051 -11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.835 -9.518 -9.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -27.061 -9.008 -10.883 1.00 0.00 H new ATOM 674 N THR A 46 -26.223 -9.904 -3.731 1.00 0.00 N ATOM 675 CA THR A 46 -26.947 -10.461 -2.594 1.00 0.00 C ATOM 676 C THR A 46 -25.985 -10.831 -1.469 1.00 0.00 C ATOM 677 O THR A 46 -24.927 -11.412 -1.710 1.00 0.00 O ATOM 678 CB THR A 46 -27.744 -11.694 -3.019 1.00 0.00 C ATOM 679 OG1 THR A 46 -28.467 -11.440 -4.210 1.00 0.00 O ATOM 680 CG2 THR A 46 -28.731 -12.157 -1.968 1.00 0.00 C ATOM 0 H THR A 46 -25.213 -10.042 -3.695 1.00 0.00 H new ATOM 0 HA THR A 46 -27.637 -9.700 -2.229 1.00 0.00 H new ATOM 0 HB THR A 46 -27.004 -12.480 -3.170 1.00 0.00 H new ATOM 0 HG1 THR A 46 -28.778 -10.511 -4.212 1.00 0.00 H new ATOM 0 HG21 THR A 46 -29.264 -13.035 -2.332 1.00 0.00 H new ATOM 0 HG22 THR A 46 -28.196 -12.410 -1.053 1.00 0.00 H new ATOM 0 HG23 THR A 46 -29.444 -11.359 -1.762 1.00 0.00 H new ATOM 688 N MET A 47 -26.363 -10.492 -0.241 1.00 0.00 N ATOM 689 CA MET A 47 -25.538 -10.790 0.925 1.00 0.00 C ATOM 690 C MET A 47 -25.888 -9.867 2.086 1.00 0.00 C ATOM 691 O MET A 47 -25.047 -9.103 2.561 1.00 0.00 O ATOM 692 CB MET A 47 -24.054 -10.659 0.580 1.00 0.00 C ATOM 693 CG MET A 47 -23.342 -11.997 0.464 1.00 0.00 C ATOM 694 SD MET A 47 -21.606 -11.825 0.012 1.00 0.00 S ATOM 695 CE MET A 47 -21.376 -13.288 -0.993 1.00 0.00 C ATOM 0 H MET A 47 -27.236 -10.010 -0.027 1.00 0.00 H new ATOM 0 HA MET A 47 -25.739 -11.818 1.227 1.00 0.00 H new ATOM 0 HB2 MET A 47 -23.954 -10.119 -0.362 1.00 0.00 H new ATOM 0 HB3 MET A 47 -23.562 -10.059 1.345 1.00 0.00 H new ATOM 0 HG2 MET A 47 -23.415 -12.526 1.414 1.00 0.00 H new ATOM 0 HG3 MET A 47 -23.848 -12.610 -0.282 1.00 0.00 H new ATOM 0 HE1 MET A 47 -20.347 -13.326 -1.350 1.00 0.00 H new ATOM 0 HE2 MET A 47 -21.586 -14.176 -0.397 1.00 0.00 H new ATOM 0 HE3 MET A 47 -22.055 -13.254 -1.845 1.00 0.00 H new ATOM 705 N LEU A 48 -27.135 -9.944 2.539 1.00 0.00 N ATOM 706 CA LEU A 48 -27.599 -9.118 3.645 1.00 0.00 C ATOM 707 C LEU A 48 -27.379 -7.637 3.351 1.00 0.00 C ATOM 708 O LEU A 48 -26.499 -7.274 2.572 1.00 0.00 O ATOM 709 CB LEU A 48 -26.877 -9.508 4.936 1.00 0.00 C ATOM 710 CG LEU A 48 -27.418 -8.848 6.204 1.00 0.00 C ATOM 711 CD1 LEU A 48 -28.449 -9.743 6.874 1.00 0.00 C ATOM 712 CD2 LEU A 48 -26.282 -8.528 7.162 1.00 0.00 C ATOM 0 H LEU A 48 -27.842 -10.571 2.156 1.00 0.00 H new ATOM 0 HA LEU A 48 -28.669 -9.288 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -26.935 -10.590 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -25.822 -9.255 4.835 1.00 0.00 H new ATOM 0 HG LEU A 48 -27.906 -7.914 5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -28.823 -9.256 7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -29.277 -9.921 6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -27.987 -10.694 7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -26.684 -8.059 8.060 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -25.765 -9.448 7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -25.580 -7.847 6.680 1.00 0.00 H new ATOM 724 N VAL A 49 -28.186 -6.788 3.980 1.00 0.00 N ATOM 725 CA VAL A 49 -28.078 -5.347 3.786 1.00 0.00 C ATOM 726 C VAL A 49 -26.923 -4.769 4.596 1.00 0.00 C ATOM 727 O VAL A 49 -26.041 -5.501 5.047 1.00 0.00 O ATOM 728 CB VAL A 49 -29.380 -4.624 4.186 1.00 0.00 C ATOM 729 CG1 VAL A 49 -29.686 -3.499 3.210 1.00 0.00 C ATOM 730 CG2 VAL A 49 -30.541 -5.604 4.260 1.00 0.00 C ATOM 0 H VAL A 49 -28.921 -7.073 4.627 1.00 0.00 H new ATOM 0 HA VAL A 49 -27.893 -5.186 2.724 1.00 0.00 H new ATOM 0 HB VAL A 49 -29.240 -4.191 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -30.608 -3.000 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -28.867 -2.780 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -29.803 -3.909 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -31.449 -5.072 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -30.684 -6.072 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -30.323 -6.371 5.003 1.00 0.00 H new ATOM 740 N GLN A 50 -26.933 -3.454 4.781 1.00 0.00 N ATOM 741 CA GLN A 50 -25.886 -2.780 5.541 1.00 0.00 C ATOM 742 C GLN A 50 -24.502 -3.130 5.001 1.00 0.00 C ATOM 743 O GLN A 50 -23.572 -3.375 5.770 1.00 0.00 O ATOM 744 CB GLN A 50 -25.974 -3.164 7.019 1.00 0.00 C ATOM 745 CG GLN A 50 -27.169 -2.561 7.737 1.00 0.00 C ATOM 746 CD GLN A 50 -26.806 -2.000 9.098 1.00 0.00 C ATOM 747 OE1 GLN A 50 -25.672 -2.138 9.556 1.00 0.00 O ATOM 748 NE2 GLN A 50 -27.772 -1.367 9.754 1.00 0.00 N ATOM 0 H GLN A 50 -27.655 -2.833 4.415 1.00 0.00 H new ATOM 0 HA GLN A 50 -26.036 -1.705 5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -26.022 -4.250 7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -25.061 -2.847 7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -27.596 -1.768 7.123 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -27.940 -3.322 7.855 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -28.698 -1.276 9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -27.588 -0.972 10.676 1.00 0.00 H new ATOM 757 N LYS A 51 -24.371 -3.157 3.680 1.00 0.00 N ATOM 758 CA LYS A 51 -23.096 -3.480 3.050 1.00 0.00 C ATOM 759 C LYS A 51 -22.589 -2.317 2.204 1.00 0.00 C ATOM 760 O LYS A 51 -22.238 -2.492 1.037 1.00 0.00 O ATOM 761 CB LYS A 51 -23.234 -4.735 2.186 1.00 0.00 C ATOM 762 CG LYS A 51 -22.059 -5.692 2.311 1.00 0.00 C ATOM 763 CD LYS A 51 -21.681 -5.924 3.765 1.00 0.00 C ATOM 764 CE LYS A 51 -20.740 -7.110 3.915 1.00 0.00 C ATOM 765 NZ LYS A 51 -21.419 -8.282 4.534 1.00 0.00 N ATOM 0 H LYS A 51 -25.129 -2.960 3.026 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.369 -3.668 3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -24.149 -5.258 2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -23.341 -4.438 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.312 -6.644 1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.202 -5.290 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.206 -5.029 4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.582 -6.097 4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.351 -7.391 2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.886 -6.821 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -20.745 -9.069 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.768 -8.022 5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.219 -8.575 3.937 1.00 0.00 H new ATOM 779 N ASN A 52 -22.551 -1.129 2.800 1.00 0.00 N ATOM 780 CA ASN A 52 -22.084 0.060 2.101 1.00 0.00 C ATOM 781 C ASN A 52 -21.492 1.073 3.078 1.00 0.00 C ATOM 782 O ASN A 52 -21.859 2.248 3.061 1.00 0.00 O ATOM 783 CB ASN A 52 -23.232 0.702 1.318 1.00 0.00 C ATOM 784 CG ASN A 52 -22.739 1.615 0.212 1.00 0.00 C ATOM 785 OD1 ASN A 52 -21.544 1.891 0.106 1.00 0.00 O ATOM 786 ND2 ASN A 52 -23.659 2.090 -0.621 1.00 0.00 N ATOM 0 H ASN A 52 -22.838 -0.966 3.765 1.00 0.00 H new ATOM 0 HA ASN A 52 -21.303 -0.245 1.405 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -23.857 -0.081 0.888 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -23.861 1.272 2.002 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -23.385 2.709 -1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -24.639 1.836 -0.497 1.00 0.00 H new ATOM 793 N VAL A 53 -20.577 0.611 3.928 1.00 0.00 N ATOM 794 CA VAL A 53 -19.939 1.485 4.910 1.00 0.00 C ATOM 795 C VAL A 53 -19.778 2.895 4.355 1.00 0.00 C ATOM 796 O VAL A 53 -19.582 3.078 3.153 1.00 0.00 O ATOM 797 CB VAL A 53 -18.553 0.960 5.341 1.00 0.00 C ATOM 798 CG1 VAL A 53 -18.521 0.704 6.839 1.00 0.00 C ATOM 799 CG2 VAL A 53 -18.183 -0.299 4.570 1.00 0.00 C ATOM 0 H VAL A 53 -20.262 -0.359 3.957 1.00 0.00 H new ATOM 0 HA VAL A 53 -20.592 1.500 5.782 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.813 1.725 5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -17.536 0.334 7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -18.728 1.632 7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.276 -0.039 7.097 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -17.202 -0.648 4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -18.925 -1.074 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.156 -0.078 3.503 1.00 0.00 H new ATOM 809 N THR A 54 -19.865 3.890 5.231 1.00 0.00 N ATOM 810 CA THR A 54 -19.732 5.280 4.813 1.00 0.00 C ATOM 811 C THR A 54 -19.127 6.133 5.922 1.00 0.00 C ATOM 812 O THR A 54 -19.568 6.082 7.071 1.00 0.00 O ATOM 813 CB THR A 54 -21.094 5.842 4.405 1.00 0.00 C ATOM 814 OG1 THR A 54 -21.795 4.918 3.591 1.00 0.00 O ATOM 815 CG2 THR A 54 -21.000 7.148 3.643 1.00 0.00 C ATOM 0 H THR A 54 -20.026 3.761 6.230 1.00 0.00 H new ATOM 0 HA THR A 54 -19.060 5.310 3.955 1.00 0.00 H new ATOM 0 HB THR A 54 -21.623 6.024 5.341 1.00 0.00 H new ATOM 0 HG1 THR A 54 -22.664 5.295 3.342 1.00 0.00 H new ATOM 0 HG21 THR A 54 -22.002 7.491 3.384 1.00 0.00 H new ATOM 0 HG22 THR A 54 -20.509 7.897 4.264 1.00 0.00 H new ATOM 0 HG23 THR A 54 -20.422 6.997 2.732 1.00 0.00 H new ATOM 823 N SER A 55 -18.117 6.918 5.566 1.00 0.00 N ATOM 824 CA SER A 55 -17.445 7.791 6.521 1.00 0.00 C ATOM 825 C SER A 55 -16.280 8.519 5.859 1.00 0.00 C ATOM 826 O SER A 55 -16.005 9.679 6.165 1.00 0.00 O ATOM 827 CB SER A 55 -16.944 6.987 7.722 1.00 0.00 C ATOM 828 OG SER A 55 -16.592 7.843 8.795 1.00 0.00 O ATOM 0 H SER A 55 -17.744 6.968 4.618 1.00 0.00 H new ATOM 0 HA SER A 55 -18.166 8.531 6.869 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.717 6.291 8.046 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.080 6.390 7.430 1.00 0.00 H new ATOM 0 HG SER A 55 -15.619 7.841 8.909 1.00 0.00 H new ATOM 834 N GLU A 56 -15.600 7.828 4.948 1.00 0.00 N ATOM 835 CA GLU A 56 -14.462 8.404 4.237 1.00 0.00 C ATOM 836 C GLU A 56 -13.728 7.335 3.430 1.00 0.00 C ATOM 837 O GLU A 56 -13.309 6.314 3.975 1.00 0.00 O ATOM 838 CB GLU A 56 -13.499 9.065 5.224 1.00 0.00 C ATOM 839 CG GLU A 56 -12.980 8.118 6.294 1.00 0.00 C ATOM 840 CD GLU A 56 -13.436 8.504 7.688 1.00 0.00 C ATOM 841 OE1 GLU A 56 -13.587 9.717 7.948 1.00 0.00 O ATOM 842 OE2 GLU A 56 -13.643 7.594 8.518 1.00 0.00 O ATOM 0 H GLU A 56 -15.818 6.867 4.684 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.840 9.159 3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.653 9.476 4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.004 9.903 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.318 7.106 6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.891 8.104 6.263 1.00 0.00 H new ATOM 849 N SER A 57 -13.577 7.578 2.131 1.00 0.00 N ATOM 850 CA SER A 57 -12.893 6.636 1.252 1.00 0.00 C ATOM 851 C SER A 57 -11.480 6.354 1.751 1.00 0.00 C ATOM 852 O SER A 57 -11.007 6.986 2.696 1.00 0.00 O ATOM 853 CB SER A 57 -12.844 7.179 -0.178 1.00 0.00 C ATOM 854 OG SER A 57 -13.747 8.258 -0.344 1.00 0.00 O ATOM 0 H SER A 57 -13.919 8.418 1.665 1.00 0.00 H new ATOM 0 HA SER A 57 -13.454 5.702 1.257 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.831 7.509 -0.411 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.090 6.383 -0.881 1.00 0.00 H new ATOM 0 HG SER A 57 -13.696 8.589 -1.265 1.00 0.00 H new ATOM 860 N THR A 58 -10.811 5.398 1.114 1.00 0.00 N ATOM 861 CA THR A 58 -9.452 5.029 1.497 1.00 0.00 C ATOM 862 C THR A 58 -8.449 5.412 0.411 1.00 0.00 C ATOM 863 O THR A 58 -8.811 5.580 -0.754 1.00 0.00 O ATOM 864 CB THR A 58 -9.371 3.527 1.775 1.00 0.00 C ATOM 865 OG1 THR A 58 -10.638 2.916 1.603 1.00 0.00 O ATOM 866 CG2 THR A 58 -8.891 3.203 3.173 1.00 0.00 C ATOM 0 H THR A 58 -11.188 4.865 0.330 1.00 0.00 H new ATOM 0 HA THR A 58 -9.198 5.577 2.404 1.00 0.00 H new ATOM 0 HB THR A 58 -8.645 3.139 1.060 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.565 1.956 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.857 2.121 3.304 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.894 3.618 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.576 3.635 3.902 1.00 0.00 H new ATOM 874 N CYS A 59 -7.184 5.542 0.802 1.00 0.00 N ATOM 875 CA CYS A 59 -6.121 5.899 -0.132 1.00 0.00 C ATOM 876 C CYS A 59 -4.749 5.580 0.457 1.00 0.00 C ATOM 877 O CYS A 59 -4.402 6.046 1.543 1.00 0.00 O ATOM 878 CB CYS A 59 -6.215 7.379 -0.507 1.00 0.00 C ATOM 879 SG CYS A 59 -5.180 8.484 0.508 1.00 0.00 S ATOM 0 H CYS A 59 -6.870 5.405 1.763 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.247 5.304 -1.036 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.930 7.494 -1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.254 7.697 -0.423 1.00 0.00 H new ATOM 884 N CYS A 60 -3.981 4.771 -0.268 1.00 0.00 N ATOM 885 CA CYS A 60 -2.648 4.363 0.172 1.00 0.00 C ATOM 886 C CYS A 60 -1.758 5.565 0.473 1.00 0.00 C ATOM 887 O CYS A 60 -2.192 6.711 0.380 1.00 0.00 O ATOM 888 CB CYS A 60 -1.982 3.483 -0.890 1.00 0.00 C ATOM 889 SG CYS A 60 -3.146 2.499 -1.886 1.00 0.00 S ATOM 0 H CYS A 60 -4.261 4.382 -1.169 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.771 3.794 1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.398 4.118 -1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.282 2.808 -0.398 1.00 0.00 H new ATOM 894 N VAL A 61 -0.506 5.276 0.830 1.00 0.00 N ATOM 895 CA VAL A 61 0.485 6.303 1.150 1.00 0.00 C ATOM 896 C VAL A 61 1.465 5.794 2.204 1.00 0.00 C ATOM 897 O VAL A 61 1.534 6.331 3.309 1.00 0.00 O ATOM 898 CB VAL A 61 -0.166 7.604 1.661 1.00 0.00 C ATOM 899 CG1 VAL A 61 -0.960 7.345 2.932 1.00 0.00 C ATOM 900 CG2 VAL A 61 0.897 8.669 1.894 1.00 0.00 C ATOM 0 H VAL A 61 -0.151 4.323 0.905 1.00 0.00 H new ATOM 0 HA VAL A 61 1.014 6.525 0.223 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.858 7.968 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.411 8.276 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.744 6.615 2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.295 6.958 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.424 9.582 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.612 8.313 2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.417 8.875 0.958 1.00 0.00 H new ATOM 910 N ALA A 62 2.211 4.747 1.850 1.00 0.00 N ATOM 911 CA ALA A 62 3.192 4.132 2.749 1.00 0.00 C ATOM 912 C ALA A 62 3.080 4.652 4.180 1.00 0.00 C ATOM 913 O ALA A 62 3.439 5.793 4.471 1.00 0.00 O ATOM 914 CB ALA A 62 4.606 4.337 2.229 1.00 0.00 C ATOM 0 H ALA A 62 2.154 4.301 0.934 1.00 0.00 H new ATOM 0 HA ALA A 62 2.969 3.065 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.316 3.872 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.701 3.882 1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.816 5.404 2.158 1.00 0.00 H new ATOM 920 N LYS A 63 2.614 3.785 5.071 1.00 0.00 N ATOM 921 CA LYS A 63 2.486 4.119 6.476 1.00 0.00 C ATOM 922 C LYS A 63 3.837 4.548 7.008 1.00 0.00 C ATOM 923 O LYS A 63 3.960 5.530 7.740 1.00 0.00 O ATOM 924 CB LYS A 63 1.995 2.902 7.254 1.00 0.00 C ATOM 925 CG LYS A 63 1.553 3.228 8.669 1.00 0.00 C ATOM 926 CD LYS A 63 1.772 2.050 9.606 1.00 0.00 C ATOM 927 CE LYS A 63 0.457 1.406 10.016 1.00 0.00 C ATOM 928 NZ LYS A 63 0.658 0.336 11.034 1.00 0.00 N ATOM 0 H LYS A 63 2.317 2.837 4.838 1.00 0.00 H new ATOM 0 HA LYS A 63 1.768 4.931 6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.162 2.449 6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.792 2.159 7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.107 4.093 9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.498 3.502 8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.404 1.308 9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.305 2.386 10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.211 2.168 10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.031 0.984 9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.261 -0.079 11.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.275 -0.404 10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.100 0.743 11.883 1.00 0.00 H new ATOM 942 N SER A 64 4.849 3.798 6.605 1.00 0.00 N ATOM 943 CA SER A 64 6.216 4.073 6.995 1.00 0.00 C ATOM 944 C SER A 64 7.132 3.813 5.812 1.00 0.00 C ATOM 945 O SER A 64 7.054 2.761 5.177 1.00 0.00 O ATOM 946 CB SER A 64 6.627 3.212 8.190 1.00 0.00 C ATOM 947 OG SER A 64 5.699 3.336 9.253 1.00 0.00 O ATOM 0 H SER A 64 4.743 2.984 6.000 1.00 0.00 H new ATOM 0 HA SER A 64 6.298 5.117 7.297 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.696 2.168 7.883 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.618 3.509 8.532 1.00 0.00 H new ATOM 0 HG SER A 64 5.984 2.774 10.004 1.00 0.00 H new ATOM 953 N TYR A 65 7.972 4.781 5.495 1.00 0.00 N ATOM 954 CA TYR A 65 8.866 4.654 4.356 1.00 0.00 C ATOM 955 C TYR A 65 10.322 4.614 4.758 1.00 0.00 C ATOM 956 O TYR A 65 10.710 5.131 5.806 1.00 0.00 O ATOM 957 CB TYR A 65 8.673 5.836 3.419 1.00 0.00 C ATOM 958 CG TYR A 65 8.443 7.144 4.143 1.00 0.00 C ATOM 959 CD1 TYR A 65 9.513 7.885 4.632 1.00 0.00 C ATOM 960 CD2 TYR A 65 7.158 7.637 4.345 1.00 0.00 C ATOM 961 CE1 TYR A 65 9.311 9.077 5.301 1.00 0.00 C ATOM 962 CE2 TYR A 65 6.948 8.829 5.013 1.00 0.00 C ATOM 963 CZ TYR A 65 8.027 9.544 5.489 1.00 0.00 C ATOM 964 OH TYR A 65 7.822 10.731 6.156 1.00 0.00 O ATOM 0 H TYR A 65 8.055 5.660 6.006 1.00 0.00 H new ATOM 0 HA TYR A 65 8.617 3.711 3.869 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.552 5.932 2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.824 5.637 2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 65 10.520 7.522 4.486 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.311 7.080 3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.154 9.640 5.675 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.944 9.198 5.161 1.00 0.00 H new ATOM 0 HH TYR A 65 6.861 10.918 6.203 1.00 0.00 H new ATOM 974 N ASN A 66 11.136 4.050 3.878 1.00 0.00 N ATOM 975 CA ASN A 66 12.575 4.013 4.112 1.00 0.00 C ATOM 976 C ASN A 66 13.264 4.630 2.917 1.00 0.00 C ATOM 977 O ASN A 66 14.403 4.315 2.572 1.00 0.00 O ATOM 978 CB ASN A 66 13.070 2.592 4.361 1.00 0.00 C ATOM 979 CG ASN A 66 13.622 2.406 5.762 1.00 0.00 C ATOM 980 OD1 ASN A 66 12.870 2.340 6.734 1.00 0.00 O ATOM 981 ND2 ASN A 66 14.944 2.327 5.872 1.00 0.00 N ATOM 0 H ASN A 66 10.832 3.617 3.006 1.00 0.00 H new ATOM 0 HA ASN A 66 12.810 4.582 5.012 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.250 1.892 4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.844 2.348 3.634 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.373 2.207 6.789 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.530 2.387 5.039 1.00 0.00 H new ATOM 988 N ARG A 67 12.510 5.520 2.309 1.00 0.00 N ATOM 989 CA ARG A 67 12.920 6.269 1.127 1.00 0.00 C ATOM 990 C ARG A 67 14.386 6.054 0.799 1.00 0.00 C ATOM 991 O ARG A 67 15.278 6.611 1.440 1.00 0.00 O ATOM 992 CB ARG A 67 12.646 7.746 1.346 1.00 0.00 C ATOM 993 CG ARG A 67 12.971 8.176 2.751 1.00 0.00 C ATOM 994 CD ARG A 67 13.217 9.675 2.843 1.00 0.00 C ATOM 995 NE ARG A 67 11.992 10.443 2.639 1.00 0.00 N ATOM 996 CZ ARG A 67 11.970 11.682 2.155 1.00 0.00 C ATOM 997 NH1 ARG A 67 13.100 12.284 1.811 1.00 0.00 N ATOM 998 NH2 ARG A 67 10.818 12.318 2.008 1.00 0.00 N ATOM 0 H ARG A 67 11.569 5.753 2.627 1.00 0.00 H new ATOM 0 HA ARG A 67 12.341 5.904 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.236 8.333 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.597 7.955 1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.150 7.901 3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.855 7.641 3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.637 9.914 3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.957 9.968 2.098 1.00 0.00 H new ATOM 0 HE ARG A 67 11.103 10.005 2.881 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.990 11.797 1.917 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.079 13.234 1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.945 11.858 2.266 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.804 13.268 1.637 1.00 0.00 H new ATOM 1012 N VAL A 68 14.610 5.245 -0.214 1.00 0.00 N ATOM 1013 CA VAL A 68 15.953 4.932 -0.677 1.00 0.00 C ATOM 1014 C VAL A 68 16.260 5.686 -1.956 1.00 0.00 C ATOM 1015 O VAL A 68 16.766 5.114 -2.923 1.00 0.00 O ATOM 1016 CB VAL A 68 16.115 3.424 -0.934 1.00 0.00 C ATOM 1017 CG1 VAL A 68 15.533 2.621 0.218 1.00 0.00 C ATOM 1018 CG2 VAL A 68 15.459 3.027 -2.255 1.00 0.00 C ATOM 0 H VAL A 68 13.869 4.784 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 68 16.649 5.235 0.106 1.00 0.00 H new ATOM 0 HB VAL A 68 17.180 3.201 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.657 1.557 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.052 2.880 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.472 2.850 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.586 1.957 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.396 3.265 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.927 3.575 -3.073 1.00 0.00 H new ATOM 1028 N THR A 69 15.931 6.967 -1.955 1.00 0.00 N ATOM 1029 CA THR A 69 16.140 7.815 -3.117 1.00 0.00 C ATOM 1030 C THR A 69 17.101 7.181 -4.107 1.00 0.00 C ATOM 1031 O THR A 69 18.261 6.919 -3.792 1.00 0.00 O ATOM 1032 CB THR A 69 16.659 9.191 -2.722 1.00 0.00 C ATOM 1033 OG1 THR A 69 15.670 9.924 -2.023 1.00 0.00 O ATOM 1034 CG2 THR A 69 17.085 10.009 -3.923 1.00 0.00 C ATOM 0 H THR A 69 15.515 7.445 -1.156 1.00 0.00 H new ATOM 0 HA THR A 69 15.167 7.929 -3.594 1.00 0.00 H new ATOM 0 HB THR A 69 17.525 9.015 -2.084 1.00 0.00 H new ATOM 0 HG1 THR A 69 16.027 10.803 -1.778 1.00 0.00 H new ATOM 0 HG21 THR A 69 17.448 10.982 -3.591 1.00 0.00 H new ATOM 0 HG22 THR A 69 17.881 9.487 -4.455 1.00 0.00 H new ATOM 0 HG23 THR A 69 16.234 10.147 -4.589 1.00 0.00 H new ATOM 1042 N VAL A 70 16.602 6.942 -5.305 1.00 0.00 N ATOM 1043 CA VAL A 70 17.401 6.340 -6.358 1.00 0.00 C ATOM 1044 C VAL A 70 17.640 7.302 -7.496 1.00 0.00 C ATOM 1045 O VAL A 70 17.484 8.515 -7.361 1.00 0.00 O ATOM 1046 CB VAL A 70 16.743 5.079 -6.940 1.00 0.00 C ATOM 1047 CG1 VAL A 70 17.694 3.896 -6.862 1.00 0.00 C ATOM 1048 CG2 VAL A 70 15.429 4.770 -6.235 1.00 0.00 C ATOM 0 H VAL A 70 15.642 7.157 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 70 18.347 6.073 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 70 16.518 5.268 -7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 70 17.211 3.012 -7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 70 18.597 4.117 -7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 70 17.957 3.709 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.986 3.873 -6.668 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.615 4.607 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.744 5.609 -6.359 1.00 0.00 H new ATOM 1058 N MET A 71 18.037 6.728 -8.615 1.00 0.00 N ATOM 1059 CA MET A 71 18.330 7.486 -9.814 1.00 0.00 C ATOM 1060 C MET A 71 17.510 8.763 -9.892 1.00 0.00 C ATOM 1061 O MET A 71 16.403 8.840 -9.360 1.00 0.00 O ATOM 1062 CB MET A 71 18.086 6.636 -11.054 1.00 0.00 C ATOM 1063 CG MET A 71 19.293 5.805 -11.448 1.00 0.00 C ATOM 1064 SD MET A 71 19.143 5.092 -13.096 1.00 0.00 S ATOM 1065 CE MET A 71 20.507 5.896 -13.934 1.00 0.00 C ATOM 0 H MET A 71 18.165 5.721 -8.718 1.00 0.00 H new ATOM 0 HA MET A 71 19.382 7.767 -9.770 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.239 5.974 -10.874 1.00 0.00 H new ATOM 0 HB3 MET A 71 17.812 7.286 -11.885 1.00 0.00 H new ATOM 0 HG2 MET A 71 20.186 6.428 -11.407 1.00 0.00 H new ATOM 0 HG3 MET A 71 19.429 5.004 -10.722 1.00 0.00 H new ATOM 0 HE1 MET A 71 20.548 5.558 -14.969 1.00 0.00 H new ATOM 0 HE2 MET A 71 20.363 6.976 -13.911 1.00 0.00 H new ATOM 0 HE3 MET A 71 21.441 5.644 -13.433 1.00 0.00 H new ATOM 1075 N GLY A 72 18.066 9.767 -10.561 1.00 0.00 N ATOM 1076 CA GLY A 72 17.379 11.032 -10.697 1.00 0.00 C ATOM 1077 C GLY A 72 16.747 11.476 -9.395 1.00 0.00 C ATOM 1078 O GLY A 72 15.790 12.248 -9.390 1.00 0.00 O ATOM 0 H GLY A 72 18.981 9.725 -11.011 1.00 0.00 H new ATOM 0 HA2 GLY A 72 18.083 11.792 -11.036 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.609 10.946 -11.463 1.00 0.00 H new ATOM 1082 N GLY A 73 17.286 10.979 -8.286 1.00 0.00 N ATOM 1083 CA GLY A 73 16.761 11.328 -6.982 1.00 0.00 C ATOM 1084 C GLY A 73 15.441 10.646 -6.697 1.00 0.00 C ATOM 1085 O GLY A 73 14.610 11.170 -5.956 1.00 0.00 O ATOM 0 H GLY A 73 18.080 10.339 -8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.484 11.051 -6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.630 12.408 -6.922 1.00 0.00 H new ATOM 1089 N PHE A 74 15.246 9.473 -7.289 1.00 0.00 N ATOM 1090 CA PHE A 74 14.016 8.718 -7.095 1.00 0.00 C ATOM 1091 C PHE A 74 13.617 8.724 -5.626 1.00 0.00 C ATOM 1092 O PHE A 74 14.384 9.162 -4.773 1.00 0.00 O ATOM 1093 CB PHE A 74 14.187 7.282 -7.593 1.00 0.00 C ATOM 1094 CG PHE A 74 14.002 7.137 -9.078 1.00 0.00 C ATOM 1095 CD1 PHE A 74 12.809 7.504 -9.682 1.00 0.00 C ATOM 1096 CD2 PHE A 74 15.023 6.638 -9.870 1.00 0.00 C ATOM 1097 CE1 PHE A 74 12.639 7.373 -11.047 1.00 0.00 C ATOM 1098 CE2 PHE A 74 14.859 6.505 -11.235 1.00 0.00 C ATOM 1099 CZ PHE A 74 13.665 6.873 -11.825 1.00 0.00 C ATOM 0 H PHE A 74 15.924 9.026 -7.906 1.00 0.00 H new ATOM 0 HA PHE A 74 13.223 9.193 -7.673 1.00 0.00 H new ATOM 0 HB2 PHE A 74 15.182 6.928 -7.322 1.00 0.00 H new ATOM 0 HB3 PHE A 74 13.470 6.640 -7.081 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.004 7.897 -9.079 1.00 0.00 H new ATOM 0 HD2 PHE A 74 15.959 6.349 -9.415 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.705 7.661 -11.505 1.00 0.00 H new ATOM 0 HE2 PHE A 74 15.663 6.114 -11.841 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.534 6.770 -12.892 1.00 0.00 H new ATOM 1109 N LYS A 75 12.411 8.242 -5.336 1.00 0.00 N ATOM 1110 CA LYS A 75 11.921 8.203 -3.963 1.00 0.00 C ATOM 1111 C LYS A 75 10.889 7.093 -3.773 1.00 0.00 C ATOM 1112 O LYS A 75 9.694 7.297 -3.992 1.00 0.00 O ATOM 1113 CB LYS A 75 11.307 9.554 -3.580 1.00 0.00 C ATOM 1114 CG LYS A 75 12.182 10.745 -3.940 1.00 0.00 C ATOM 1115 CD LYS A 75 12.005 11.889 -2.955 1.00 0.00 C ATOM 1116 CE LYS A 75 10.540 12.243 -2.764 1.00 0.00 C ATOM 1117 NZ LYS A 75 10.366 13.419 -1.867 1.00 0.00 N ATOM 0 H LYS A 75 11.759 7.875 -6.030 1.00 0.00 H new ATOM 0 HA LYS A 75 12.770 7.995 -3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.343 9.659 -4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.116 9.566 -2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.227 10.437 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.935 11.088 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.441 11.614 -1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.548 12.764 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.088 12.455 -3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.011 11.386 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.353 13.629 -1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.774 13.208 -0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.849 14.243 -2.278 1.00 0.00 H new ATOM 1131 N VAL A 76 11.360 5.927 -3.346 1.00 0.00 N ATOM 1132 CA VAL A 76 10.485 4.782 -3.099 1.00 0.00 C ATOM 1133 C VAL A 76 10.071 4.764 -1.669 1.00 0.00 C ATOM 1134 O VAL A 76 9.606 3.745 -1.158 1.00 0.00 O ATOM 1135 CB VAL A 76 11.209 3.451 -3.375 1.00 0.00 C ATOM 1136 CG1 VAL A 76 11.491 3.304 -4.859 1.00 0.00 C ATOM 1137 CG2 VAL A 76 12.501 3.460 -2.570 1.00 0.00 C ATOM 0 H VAL A 76 12.347 5.747 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 76 9.627 4.883 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 76 10.590 2.604 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.003 2.359 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.551 3.319 -5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.121 4.128 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.043 2.530 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.119 4.302 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.268 3.555 -1.509 1.00 0.00 H new ATOM 1147 N GLU A 77 10.276 5.888 -1.025 1.00 0.00 N ATOM 1148 CA GLU A 77 9.967 6.002 0.390 1.00 0.00 C ATOM 1149 C GLU A 77 9.999 4.602 0.949 1.00 0.00 C ATOM 1150 O GLU A 77 9.092 4.179 1.660 1.00 0.00 O ATOM 1151 CB GLU A 77 8.590 6.640 0.595 1.00 0.00 C ATOM 1152 CG GLU A 77 7.847 6.911 -0.704 1.00 0.00 C ATOM 1153 CD GLU A 77 8.155 8.278 -1.281 1.00 0.00 C ATOM 1154 OE1 GLU A 77 8.606 9.157 -0.517 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.945 8.469 -2.497 1.00 0.00 O ATOM 0 H GLU A 77 10.653 6.735 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 77 10.688 6.642 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.984 5.985 1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.710 7.577 1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.110 6.146 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.774 6.829 -0.528 1.00 0.00 H new ATOM 1162 N ASN A 78 11.032 3.859 0.529 1.00 0.00 N ATOM 1163 CA ASN A 78 11.156 2.461 0.884 1.00 0.00 C ATOM 1164 C ASN A 78 9.961 2.083 1.706 1.00 0.00 C ATOM 1165 O ASN A 78 10.036 2.004 2.931 1.00 0.00 O ATOM 1166 CB ASN A 78 12.390 2.124 1.677 1.00 0.00 C ATOM 1167 CG ASN A 78 12.307 0.673 2.070 1.00 0.00 C ATOM 1168 OD1 ASN A 78 11.413 0.275 2.811 1.00 0.00 O ATOM 1169 ND2 ASN A 78 13.226 -0.119 1.576 1.00 0.00 N ATOM 0 H ASN A 78 11.788 4.214 -0.057 1.00 0.00 H new ATOM 0 HA ASN A 78 11.227 1.908 -0.053 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.286 2.308 1.084 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.458 2.756 2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.949 0.259 0.964 1.00 0.00 H new ATOM 1174 N HIS A 79 8.845 1.923 1.052 1.00 0.00 N ATOM 1175 CA HIS A 79 7.641 1.632 1.768 1.00 0.00 C ATOM 1176 C HIS A 79 7.835 0.508 2.746 1.00 0.00 C ATOM 1177 O HIS A 79 7.823 -0.670 2.409 1.00 0.00 O ATOM 1178 CB HIS A 79 6.487 1.383 0.823 1.00 0.00 C ATOM 1179 CG HIS A 79 6.215 2.595 0.021 1.00 0.00 C ATOM 1180 ND1 HIS A 79 5.185 2.728 -0.864 1.00 0.00 N ATOM 1181 CD2 HIS A 79 6.901 3.756 -0.010 1.00 0.00 C ATOM 1182 CE1 HIS A 79 5.274 3.948 -1.411 1.00 0.00 C ATOM 1183 NE2 HIS A 79 6.302 4.616 -0.922 1.00 0.00 N ATOM 0 H HIS A 79 8.746 1.988 0.039 1.00 0.00 H new ATOM 0 HA HIS A 79 7.383 2.512 2.357 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.721 0.547 0.164 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.598 1.105 1.388 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.475 2.025 -1.072 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.777 3.981 0.580 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.593 4.334 -2.155 1.00 0.00 H new ATOM 1191 N THR A 80 8.019 0.911 3.974 1.00 0.00 N ATOM 1192 CA THR A 80 8.218 -0.021 5.054 1.00 0.00 C ATOM 1193 C THR A 80 6.874 -0.356 5.700 1.00 0.00 C ATOM 1194 O THR A 80 6.791 -1.201 6.591 1.00 0.00 O ATOM 1195 CB THR A 80 9.211 0.577 6.045 1.00 0.00 C ATOM 1196 OG1 THR A 80 8.557 1.450 6.946 1.00 0.00 O ATOM 1197 CG2 THR A 80 10.313 1.358 5.347 1.00 0.00 C ATOM 0 H THR A 80 8.035 1.891 4.255 1.00 0.00 H new ATOM 0 HA THR A 80 8.636 -0.958 4.685 1.00 0.00 H new ATOM 0 HB THR A 80 9.653 -0.263 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.211 1.822 7.574 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.997 1.766 6.091 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.860 0.695 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.873 2.173 4.773 1.00 0.00 H new ATOM 1205 N ALA A 81 5.814 0.307 5.215 1.00 0.00 N ATOM 1206 CA ALA A 81 4.463 0.088 5.698 1.00 0.00 C ATOM 1207 C ALA A 81 3.490 0.893 4.843 1.00 0.00 C ATOM 1208 O ALA A 81 3.681 2.089 4.661 1.00 0.00 O ATOM 1209 CB ALA A 81 4.352 0.479 7.164 1.00 0.00 C ATOM 0 H ALA A 81 5.880 1.008 4.477 1.00 0.00 H new ATOM 0 HA ALA A 81 4.214 -0.970 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.333 0.308 7.510 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.041 -0.124 7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.603 1.534 7.279 1.00 0.00 H new ATOM 1215 N CYS A 82 2.466 0.238 4.296 1.00 0.00 N ATOM 1216 CA CYS A 82 1.496 0.931 3.448 1.00 0.00 C ATOM 1217 C CYS A 82 0.082 0.802 4.005 1.00 0.00 C ATOM 1218 O CYS A 82 -0.387 -0.298 4.294 1.00 0.00 O ATOM 1219 CB CYS A 82 1.552 0.399 2.011 1.00 0.00 C ATOM 1220 SG CYS A 82 2.288 1.565 0.812 1.00 0.00 S ATOM 0 H CYS A 82 2.288 -0.758 4.422 1.00 0.00 H new ATOM 0 HA CYS A 82 1.762 1.988 3.439 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.126 -0.527 2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.541 0.151 1.687 1.00 0.00 H new ATOM 1225 N HIS A 83 -0.589 1.942 4.157 1.00 0.00 N ATOM 1226 CA HIS A 83 -1.950 1.972 4.682 1.00 0.00 C ATOM 1227 C HIS A 83 -2.794 3.004 3.940 1.00 0.00 C ATOM 1228 O HIS A 83 -2.334 4.112 3.665 1.00 0.00 O ATOM 1229 CB HIS A 83 -1.935 2.298 6.176 1.00 0.00 C ATOM 1230 CG HIS A 83 -1.586 3.724 6.472 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -0.755 4.582 5.835 1.00 0.00 N flip ATOM 1232 CD2 HIS A 83 -2.114 4.423 7.536 1.00 0.00 C flip ATOM 1233 CE1 HIS A 83 -0.798 5.773 6.518 1.00 0.00 C flip ATOM 1234 NE2 HIS A 83 -1.625 5.651 7.540 1.00 0.00 N flip ATOM 0 H HIS A 83 -0.210 2.859 3.923 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.392 0.987 4.534 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.915 2.077 6.598 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.219 1.646 6.675 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -2.818 4.029 8.254 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.245 6.664 6.261 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.848 6.380 8.217 1.00 0.00 H new ATOM 1243 N CYS A 84 -4.029 2.637 3.620 1.00 0.00 N ATOM 1244 CA CYS A 84 -4.931 3.539 2.912 1.00 0.00 C ATOM 1245 C CYS A 84 -5.774 4.349 3.893 1.00 0.00 C ATOM 1246 O CYS A 84 -6.280 3.816 4.880 1.00 0.00 O ATOM 1247 CB CYS A 84 -5.841 2.752 1.968 1.00 0.00 C ATOM 1248 SG CYS A 84 -4.953 1.892 0.628 1.00 0.00 S ATOM 0 H CYS A 84 -4.428 1.724 3.838 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.324 4.229 2.326 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -6.401 2.019 2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.569 3.434 1.528 1.00 0.00 H new ATOM 1253 N SER A 85 -5.922 5.641 3.614 1.00 0.00 N ATOM 1254 CA SER A 85 -6.705 6.526 4.468 1.00 0.00 C ATOM 1255 C SER A 85 -7.357 7.636 3.647 1.00 0.00 C ATOM 1256 O SER A 85 -7.643 7.456 2.463 1.00 0.00 O ATOM 1257 CB SER A 85 -5.821 7.131 5.560 1.00 0.00 C ATOM 1258 OG SER A 85 -5.166 8.299 5.096 1.00 0.00 O ATOM 0 H SER A 85 -5.509 6.098 2.801 1.00 0.00 H new ATOM 0 HA SER A 85 -7.492 5.936 4.937 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.429 7.373 6.432 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.081 6.398 5.881 1.00 0.00 H new ATOM 0 HG SER A 85 -4.608 8.668 5.813 1.00 0.00 H new ATOM 1264 N THR A 86 -7.591 8.782 4.281 1.00 0.00 N ATOM 1265 CA THR A 86 -8.210 9.915 3.602 1.00 0.00 C ATOM 1266 C THR A 86 -7.152 10.829 2.987 1.00 0.00 C ATOM 1267 O THR A 86 -7.397 12.013 2.758 1.00 0.00 O ATOM 1268 CB THR A 86 -9.083 10.710 4.574 1.00 0.00 C ATOM 1269 OG1 THR A 86 -9.853 9.839 5.382 1.00 0.00 O ATOM 1270 CG2 THR A 86 -10.037 11.661 3.880 1.00 0.00 C ATOM 0 H THR A 86 -7.362 8.950 5.261 1.00 0.00 H new ATOM 0 HA THR A 86 -8.837 9.523 2.801 1.00 0.00 H new ATOM 0 HB THR A 86 -8.388 11.295 5.177 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.694 10.279 5.628 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.627 12.194 4.626 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.469 12.378 3.287 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.703 11.097 3.227 1.00 0.00 H new ATOM 1278 N CYS A 87 -5.978 10.266 2.721 1.00 0.00 N ATOM 1279 CA CYS A 87 -4.881 11.021 2.128 1.00 0.00 C ATOM 1280 C CYS A 87 -4.491 12.211 2.999 1.00 0.00 C ATOM 1281 O CYS A 87 -4.908 13.340 2.745 1.00 0.00 O ATOM 1282 CB CYS A 87 -5.261 11.504 0.729 1.00 0.00 C ATOM 1283 SG CYS A 87 -5.147 10.216 -0.553 1.00 0.00 S ATOM 0 H CYS A 87 -5.762 9.287 2.907 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.022 10.354 2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.280 11.890 0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -4.612 12.335 0.454 1.00 0.00 H new ATOM 1288 N TYR A 88 -3.680 11.948 4.018 1.00 0.00 N ATOM 1289 CA TYR A 88 -3.216 12.992 4.926 1.00 0.00 C ATOM 1290 C TYR A 88 -4.230 14.126 5.038 1.00 0.00 C ATOM 1291 O TYR A 88 -4.265 15.026 4.199 1.00 0.00 O ATOM 1292 CB TYR A 88 -1.872 13.543 4.444 1.00 0.00 C ATOM 1293 CG TYR A 88 -0.694 13.080 5.270 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -0.587 11.760 5.686 1.00 0.00 C ATOM 1295 CD2 TYR A 88 0.312 13.966 5.631 1.00 0.00 C ATOM 1296 CE1 TYR A 88 0.490 11.333 6.439 1.00 0.00 C ATOM 1297 CE2 TYR A 88 1.393 13.549 6.384 1.00 0.00 C ATOM 1298 CZ TYR A 88 1.478 12.231 6.785 1.00 0.00 C ATOM 1299 OH TYR A 88 2.553 11.813 7.535 1.00 0.00 O ATOM 0 H TYR A 88 -3.329 11.016 4.237 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.096 12.548 5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.717 13.244 3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.909 14.632 4.459 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.359 11.054 5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.249 14.998 5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.558 10.302 6.755 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.167 14.251 6.657 1.00 0.00 H new ATOM 0 HH TYR A 88 3.157 12.569 7.690 1.00 0.00 H new ATOM 1309 N TYR A 89 -5.051 14.079 6.081 1.00 0.00 N ATOM 1310 CA TYR A 89 -6.062 15.105 6.305 1.00 0.00 C ATOM 1311 C TYR A 89 -5.437 16.498 6.273 1.00 0.00 C ATOM 1312 O TYR A 89 -5.825 17.345 5.469 1.00 0.00 O ATOM 1313 CB TYR A 89 -6.761 14.871 7.645 1.00 0.00 C ATOM 1314 CG TYR A 89 -7.104 13.421 7.897 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -8.242 12.848 7.344 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -6.286 12.624 8.688 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -8.554 11.521 7.570 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -6.591 11.297 8.919 1.00 0.00 C ATOM 1319 CZ TYR A 89 -7.726 10.750 8.358 1.00 0.00 C ATOM 1320 OH TYR A 89 -8.034 9.429 8.585 1.00 0.00 O ATOM 0 H TYR A 89 -5.036 13.341 6.785 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.799 15.042 5.504 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.119 15.230 8.449 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.675 15.464 7.678 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.894 13.449 6.727 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.397 13.049 9.130 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.442 11.090 7.132 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.944 10.691 9.536 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.349 9.027 9.159 1.00 0.00 H new ATOM 1330 N HIS A 90 -4.464 16.723 7.151 1.00 0.00 N ATOM 1331 CA HIS A 90 -3.777 18.010 7.226 1.00 0.00 C ATOM 1332 C HIS A 90 -4.760 19.165 7.044 1.00 0.00 C ATOM 1333 O HIS A 90 -5.976 18.974 7.098 1.00 0.00 O ATOM 1334 CB HIS A 90 -2.674 18.082 6.165 1.00 0.00 C ATOM 1335 CG HIS A 90 -1.345 17.581 6.648 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -1.175 16.947 7.861 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -0.119 17.623 6.072 1.00 0.00 C ATOM 1338 CE1 HIS A 90 0.098 16.623 8.011 1.00 0.00 C ATOM 1339 NE2 HIS A 90 0.759 17.020 6.940 1.00 0.00 N ATOM 0 H HIS A 90 -4.132 16.030 7.822 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.326 18.099 8.214 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.979 17.500 5.296 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -2.566 19.115 5.835 1.00 0.00 H new ATOM 0 HD2 HIS A 90 0.123 18.051 5.110 1.00 0.00 H new ATOM 0 HE1 HIS A 90 0.525 16.119 8.865 1.00 0.00 H new ATOM 0 HE2 HIS A 90 1.759 16.899 6.782 1.00 0.00 H new ATOM 1348 N LYS A 91 -4.227 20.366 6.834 1.00 0.00 N ATOM 1349 CA LYS A 91 -5.059 21.552 6.648 1.00 0.00 C ATOM 1350 C LYS A 91 -4.909 22.107 5.236 1.00 0.00 C ATOM 1351 O LYS A 91 -4.522 23.261 5.050 1.00 0.00 O ATOM 1352 CB LYS A 91 -4.682 22.628 7.670 1.00 0.00 C ATOM 1353 CG LYS A 91 -5.325 23.979 7.396 1.00 0.00 C ATOM 1354 CD LYS A 91 -5.718 24.684 8.685 1.00 0.00 C ATOM 1355 CE LYS A 91 -5.815 26.190 8.491 1.00 0.00 C ATOM 1356 NZ LYS A 91 -4.492 26.797 8.178 1.00 0.00 N ATOM 0 H LYS A 91 -3.224 20.544 6.788 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.099 21.262 6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.974 22.291 8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.598 22.746 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.632 24.605 6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.208 23.842 6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.676 24.299 9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.984 24.463 9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.514 26.407 7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.219 26.647 9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.504 27.806 8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.750 26.312 8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.296 26.698 7.161 1.00 0.00 H new ATOM 1370 N SER A 92 -5.219 21.281 4.242 1.00 0.00 N ATOM 1371 CA SER A 92 -5.117 21.694 2.848 1.00 0.00 C ATOM 1372 C SER A 92 -6.105 20.926 1.978 1.00 0.00 C ATOM 1373 O SER A 92 -7.150 21.506 1.617 1.00 0.00 O ATOM 1374 CB SER A 92 -3.693 21.479 2.335 1.00 0.00 C ATOM 1375 OG SER A 92 -3.118 20.316 2.904 1.00 0.00 O ATOM 1376 OXT SER A 92 -5.824 19.750 1.664 1.00 0.00 O ATOM 0 H SER A 92 -5.542 20.323 4.376 1.00 0.00 H new ATOM 0 HA SER A 92 -5.361 22.755 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.704 21.389 1.249 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.080 22.348 2.577 1.00 0.00 H new ATOM 0 HG SER A 92 -3.724 19.556 2.779 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 13.143 -1.534 1.794 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.467 -2.000 2.370 1.00 0.00 C HETATM 1385 C3 NAG A 178 14.376 -3.454 2.824 1.00 0.00 C HETATM 1386 C4 NAG A 178 13.161 -3.650 3.708 1.00 0.00 C HETATM 1387 C5 NAG A 178 11.918 -3.182 2.988 1.00 0.00 C HETATM 1388 C6 NAG A 178 10.651 -3.324 3.814 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.512 -1.047 1.510 1.00 0.00 C HETATM 1390 C8 NAG A 178 17.518 -0.945 0.375 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.487 -1.878 1.344 1.00 0.00 N HETATM 1392 O3 NAG A 178 15.547 -3.795 3.551 1.00 0.00 O HETATM 1393 O4 NAG A 178 13.009 -5.034 4.054 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.038 -1.806 2.662 1.00 0.00 O HETATM 1395 O6 NAG A 178 9.522 -2.835 3.105 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.668 -0.374 2.530 1.00 0.00 O HETATM 0 HO6 NAG A 178 8.719 -2.939 3.657 1.00 0.00 H new HETATM 0 HO3 NAG A 178 15.489 -4.728 3.845 1.00 0.00 H new HETATM 0 HN2 NAG A 178 15.417 -2.433 0.491 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.964 -1.923 0.195 1.00 0.00 H new HETATM 0 H82 NAG A 178 17.013 -0.605 -0.529 1.00 0.00 H new HETATM 0 H81 NAG A 178 18.299 -0.234 0.644 1.00 0.00 H new HETATM 0 H62 NAG A 178 10.497 -4.372 4.072 1.00 0.00 H new HETATM 0 H61 NAG A 178 10.761 -2.778 4.751 1.00 0.00 H new HETATM 0 H5 NAG A 178 11.836 -3.815 2.104 1.00 0.00 H new HETATM 0 H4 NAG A 178 13.302 -3.066 4.618 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.285 -4.095 1.947 1.00 0.00 H new HETATM 0 H2 NAG A 178 14.719 -1.385 3.234 1.00 0.00 H new HETATM 1410 C1 NAG A 179 12.501 -5.251 5.319 1.00 0.00 C HETATM 1411 C2 NAG A 179 12.039 -6.691 5.461 1.00 0.00 C HETATM 1412 C3 NAG A 179 11.555 -6.947 6.876 1.00 0.00 C HETATM 1413 C4 NAG A 179 12.612 -6.524 7.878 1.00 0.00 C HETATM 1414 C5 NAG A 179 13.068 -5.096 7.613 1.00 0.00 C HETATM 1415 C6 NAG A 179 14.216 -4.677 8.509 1.00 0.00 C HETATM 1416 C7 NAG A 179 11.121 -7.773 3.515 1.00 0.00 C HETATM 1417 C8 NAG A 179 10.014 -7.833 2.474 1.00 0.00 C HETATM 1418 N2 NAG A 179 10.955 -6.934 4.530 1.00 0.00 N HETATM 1419 O3 NAG A 179 11.290 -8.333 7.033 1.00 0.00 O HETATM 1420 O4 NAG A 179 12.060 -6.590 9.203 1.00 0.00 O HETATM 1421 O5 NAG A 179 13.527 -4.943 6.262 1.00 0.00 O HETATM 1422 O6 NAG A 179 15.339 -5.527 8.335 1.00 0.00 O HETATM 1423 O7 NAG A 179 12.115 -8.487 3.393 1.00 0.00 O HETATM 0 HO6 NAG A 179 16.066 -5.233 8.923 1.00 0.00 H new HETATM 0 HO3 NAG A 179 10.978 -8.505 7.946 1.00 0.00 H new HETATM 0 HN2 NAG A 179 10.061 -6.459 4.655 1.00 0.00 H new HETATM 0 H83 NAG A 179 9.082 -8.135 2.951 1.00 0.00 H new HETATM 0 H82 NAG A 179 9.887 -6.850 2.020 1.00 0.00 H new HETATM 0 H81 NAG A 179 10.278 -8.557 1.703 1.00 0.00 H new HETATM 0 H62 NAG A 179 14.498 -3.648 8.286 1.00 0.00 H new HETATM 0 H61 NAG A 179 13.896 -4.702 9.551 1.00 0.00 H new HETATM 0 H5 NAG A 179 12.195 -4.473 7.811 1.00 0.00 H new HETATM 0 H4 NAG A 179 13.466 -7.194 7.783 1.00 0.00 H new HETATM 0 H3 NAG A 179 10.648 -6.369 7.052 1.00 0.00 H new HETATM 0 H2 NAG A 179 12.873 -7.360 5.246 1.00 0.00 H new HETATM 1437 C1 BMA A 180 12.930 -6.988 10.200 1.00 0.00 C HETATM 1438 C2 BMA A 180 12.412 -6.506 11.547 1.00 0.00 C HETATM 1439 C3 BMA A 180 13.293 -7.026 12.666 1.00 0.00 C HETATM 1440 C4 BMA A 180 13.426 -8.536 12.568 1.00 0.00 C HETATM 1441 C5 BMA A 180 13.902 -8.940 11.176 1.00 0.00 C HETATM 1442 C6 BMA A 180 13.928 -10.443 10.984 1.00 0.00 C HETATM 1443 O2 BMA A 180 11.088 -6.984 11.733 1.00 0.00 O HETATM 1444 O3 BMA A 180 12.707 -6.671 13.935 1.00 0.00 O HETATM 1445 O4 BMA A 180 14.369 -8.982 13.531 1.00 0.00 O HETATM 1446 O5 BMA A 180 13.029 -8.416 10.157 1.00 0.00 O HETATM 1447 O6 BMA A 180 14.800 -11.058 11.952 1.00 0.00 O HETATM 0 HO4 BMA A 180 14.492 -9.950 13.444 1.00 0.00 H new HETATM 0 HO2 BMA A 180 10.691 -7.195 10.862 1.00 0.00 H new HETATM 0 H62 BMA A 180 12.920 -10.846 11.085 1.00 0.00 H new HETATM 0 H61 BMA A 180 14.267 -10.681 9.976 1.00 0.00 H new HETATM 0 H5 BMA A 180 14.910 -8.534 11.088 1.00 0.00 H new HETATM 0 H4 BMA A 180 12.453 -8.991 12.754 1.00 0.00 H new HETATM 0 H3 BMA A 180 14.284 -6.580 12.581 1.00 0.00 H new HETATM 0 H2 BMA A 180 12.424 -5.416 11.565 1.00 0.00 H new HETATM 1457 C1 MAN A 181 12.865 -5.325 14.289 1.00 0.00 C HETATM 1458 C2 MAN A 181 12.416 -5.136 15.733 1.00 0.00 C HETATM 1459 C3 MAN A 181 10.909 -5.294 15.865 1.00 0.00 C HETATM 1460 C4 MAN A 181 10.192 -4.395 14.874 1.00 0.00 C HETATM 1461 C5 MAN A 181 10.710 -4.635 13.465 1.00 0.00 C HETATM 1462 C6 MAN A 181 10.117 -3.667 12.460 1.00 0.00 C HETATM 1463 O2 MAN A 181 12.783 -3.811 16.161 1.00 0.00 O HETATM 1464 O3 MAN A 181 10.518 -4.937 17.182 1.00 0.00 O HETATM 1465 O4 MAN A 181 8.799 -4.677 14.914 1.00 0.00 O HETATM 1466 O5 MAN A 181 12.139 -4.470 13.409 1.00 0.00 O HETATM 1467 O6 MAN A 181 8.703 -3.786 12.405 1.00 0.00 O HETATM 0 HO6 MAN A 181 8.346 -3.150 11.751 1.00 0.00 H new HETATM 0 HO4 MAN A 181 8.390 -4.427 14.059 1.00 0.00 H new HETATM 0 HO3 MAN A 181 11.313 -4.715 17.710 1.00 0.00 H new HETATM 0 H62 MAN A 181 10.388 -2.647 12.730 1.00 0.00 H new HETATM 0 H61 MAN A 181 10.539 -3.859 11.474 1.00 0.00 H new HETATM 0 H5 MAN A 181 10.418 -5.655 13.213 1.00 0.00 H new HETATM 0 H4 MAN A 181 10.375 -3.355 15.144 1.00 0.00 H new HETATM 0 H3 MAN A 181 10.643 -6.331 15.659 1.00 0.00 H new HETATM 0 H2 MAN A 181 12.899 -5.894 16.350 1.00 0.00 H new HETATM 1478 C1 MAN A 182 16.113 -10.573 11.874 1.00 0.00 C HETATM 1479 C2 MAN A 182 16.662 -10.836 10.481 1.00 0.00 C HETATM 1480 C3 MAN A 182 16.821 -12.327 10.234 1.00 0.00 C HETATM 1481 C4 MAN A 182 17.650 -12.955 11.339 1.00 0.00 C HETATM 1482 C5 MAN A 182 17.063 -12.620 12.701 1.00 0.00 C HETATM 1483 C6 MAN A 182 17.932 -13.114 13.839 1.00 0.00 C HETATM 1484 O2 MAN A 182 17.951 -10.214 10.380 1.00 0.00 O HETATM 1485 O3 MAN A 182 17.473 -12.525 8.988 1.00 0.00 O HETATM 1486 O4 MAN A 182 17.665 -14.364 11.166 1.00 0.00 O HETATM 1487 O5 MAN A 182 16.931 -11.193 12.864 1.00 0.00 O HETATM 1488 O6 MAN A 182 18.028 -14.531 13.834 1.00 0.00 O HETATM 0 HO6 MAN A 182 18.596 -14.823 14.577 1.00 0.00 H new HETATM 0 HO4 MAN A 182 17.795 -14.799 12.035 1.00 0.00 H new HETATM 0 HO3 MAN A 182 17.964 -11.713 8.743 1.00 0.00 H new HETATM 0 H62 MAN A 182 18.928 -12.679 13.755 1.00 0.00 H new HETATM 0 H61 MAN A 182 17.517 -12.778 14.789 1.00 0.00 H new HETATM 0 H5 MAN A 182 16.093 -13.115 12.736 1.00 0.00 H new HETATM 0 H4 MAN A 182 18.665 -12.561 11.289 1.00 0.00 H new HETATM 0 H3 MAN A 182 15.837 -12.795 10.219 1.00 0.00 H new HETATM 0 H2 MAN A 182 15.969 -10.432 9.743 1.00 0.00 H new HETATM 1499 C1 NAG A 183 18.027 -9.060 9.627 1.00 0.00 C HETATM 1500 C2 NAG A 183 19.486 -8.604 9.589 1.00 0.00 C HETATM 1501 C3 NAG A 183 19.651 -7.413 8.664 1.00 0.00 C HETATM 1502 C4 NAG A 183 19.080 -7.730 7.295 1.00 0.00 C HETATM 1503 C5 NAG A 183 17.649 -8.231 7.420 1.00 0.00 C HETATM 1504 C6 NAG A 183 17.076 -8.685 6.091 1.00 0.00 C HETATM 1505 C7 NAG A 183 20.679 -9.060 11.619 1.00 0.00 C HETATM 1506 C8 NAG A 183 20.747 -8.856 13.123 1.00 0.00 C HETATM 1507 N2 NAG A 183 19.898 -8.236 10.928 1.00 0.00 N HETATM 1508 O3 NAG A 183 21.032 -7.112 8.538 1.00 0.00 O HETATM 1509 O4 NAG A 183 19.096 -6.543 6.476 1.00 0.00 O HETATM 1510 O5 NAG A 183 17.573 -9.362 8.308 1.00 0.00 O HETATM 1511 O6 NAG A 183 17.049 -7.623 5.151 1.00 0.00 O HETATM 1512 O7 NAG A 183 21.330 -9.962 11.094 1.00 0.00 O HETATM 0 HO6 NAG A 183 17.751 -6.975 5.370 1.00 0.00 H new HETATM 0 HO3 NAG A 183 21.234 -6.289 9.030 1.00 0.00 H new HETATM 0 HN2 NAG A 183 19.592 -7.353 11.337 1.00 0.00 H new HETATM 0 H83 NAG A 183 21.120 -7.854 13.338 1.00 0.00 H new HETATM 0 H82 NAG A 183 19.751 -8.972 13.551 1.00 0.00 H new HETATM 0 H81 NAG A 183 21.419 -9.595 13.560 1.00 0.00 H new HETATM 0 H62 NAG A 183 17.673 -9.507 5.697 1.00 0.00 H new HETATM 0 H61 NAG A 183 16.066 -9.068 6.240 1.00 0.00 H new HETATM 0 H5 NAG A 183 17.078 -7.385 7.803 1.00 0.00 H new HETATM 0 H4 NAG A 183 19.691 -8.506 6.834 1.00 0.00 H new HETATM 0 H3 NAG A 183 19.118 -6.559 9.081 1.00 0.00 H new HETATM 0 H2 NAG A 183 20.104 -9.420 9.215 1.00 0.00 H new HETATM 1526 C1 NAG A 184 13.632 -3.736 17.250 1.00 0.00 C HETATM 1527 C2 NAG A 184 13.897 -2.273 17.595 1.00 0.00 C HETATM 1528 C3 NAG A 184 14.773 -2.176 18.830 1.00 0.00 C HETATM 1529 C4 NAG A 184 14.169 -2.979 19.970 1.00 0.00 C HETATM 1530 C5 NAG A 184 13.834 -4.393 19.517 1.00 0.00 C HETATM 1531 C6 NAG A 184 13.084 -5.170 20.576 1.00 0.00 C HETATM 1532 C7 NAG A 184 13.961 -0.634 15.829 1.00 0.00 C HETATM 1533 C8 NAG A 184 14.655 -0.089 14.590 1.00 0.00 C HETATM 1534 N2 NAG A 184 14.561 -1.627 16.479 1.00 0.00 N HETATM 1535 O3 NAG A 184 14.876 -0.813 19.216 1.00 0.00 O HETATM 1536 O4 NAG A 184 15.120 -3.064 21.054 1.00 0.00 O HETATM 1537 O5 NAG A 184 12.998 -4.384 18.346 1.00 0.00 O HETATM 1538 O6 NAG A 184 13.863 -5.316 21.754 1.00 0.00 O HETATM 1539 O7 NAG A 184 12.889 -0.153 16.190 1.00 0.00 O HETATM 0 HO6 NAG A 184 14.574 -4.642 21.762 1.00 0.00 H new HETATM 0 HO3 NAG A 184 14.270 -0.639 19.966 1.00 0.00 H new HETATM 0 HN2 NAG A 184 15.490 -1.935 16.192 1.00 0.00 H new HETATM 0 H83 NAG A 184 15.637 0.296 14.863 1.00 0.00 H new HETATM 0 H82 NAG A 184 14.769 -0.887 13.856 1.00 0.00 H new HETATM 0 H81 NAG A 184 14.056 0.715 14.161 1.00 0.00 H new HETATM 0 H62 NAG A 184 12.152 -4.658 20.815 1.00 0.00 H new HETATM 0 H61 NAG A 184 12.818 -6.153 20.189 1.00 0.00 H new HETATM 0 H5 NAG A 184 14.794 -4.865 19.311 1.00 0.00 H new HETATM 0 H4 NAG A 184 13.257 -2.478 20.294 1.00 0.00 H new HETATM 0 H3 NAG A 184 15.760 -2.578 18.602 1.00 0.00 H new HETATM 0 H2 NAG A 184 12.947 -1.778 17.795 1.00 0.00 H new HETATM 1553 C1 GAL A 185 15.473 -1.882 21.689 1.00 0.00 C HETATM 1554 C2 GAL A 185 14.324 -1.393 22.563 1.00 0.00 C HETATM 1555 C3 GAL A 185 14.748 -0.174 23.365 1.00 0.00 C HETATM 1556 C4 GAL A 185 16.042 -0.448 24.114 1.00 0.00 C HETATM 1557 C5 GAL A 185 17.108 -0.984 23.170 1.00 0.00 C HETATM 1558 C6 GAL A 185 18.372 -1.394 23.899 1.00 0.00 C HETATM 1559 O2 GAL A 185 13.224 -1.043 21.738 1.00 0.00 O HETATM 1560 O3 GAL A 185 13.730 0.148 24.301 1.00 0.00 O HETATM 1561 O4 GAL A 185 15.799 -1.407 25.132 1.00 0.00 O HETATM 1562 O5 GAL A 185 16.638 -2.151 22.473 1.00 0.00 O HETATM 1563 O6 GAL A 185 19.341 -1.912 23.000 1.00 0.00 O HETATM 0 HO6 GAL A 185 18.890 -2.300 22.221 1.00 0.00 H new HETATM 0 HO4 GAL A 185 15.959 -2.307 24.779 1.00 0.00 H new HETATM 0 HO3 GAL A 185 13.920 -0.293 25.156 1.00 0.00 H new HETATM 0 HO2 GAL A 185 12.483 -0.729 22.297 1.00 0.00 H new HETATM 0 H62 GAL A 185 18.785 -0.534 24.427 1.00 0.00 H new HETATM 0 H61 GAL A 185 18.133 -2.145 24.652 1.00 0.00 H new HETATM 0 H5 GAL A 185 17.324 -0.168 22.480 1.00 0.00 H new HETATM 0 H4 GAL A 185 16.397 0.486 24.550 1.00 0.00 H new HETATM 0 H3 GAL A 185 14.907 0.657 22.678 1.00 0.00 H new HETATM 0 H2 GAL A 185 14.042 -2.191 23.250 1.00 0.00 H new HETATM 1575 C1 GAL A 186 20.288 -5.834 6.436 1.00 0.00 C HETATM 1576 C2 GAL A 186 20.278 -4.884 5.246 1.00 0.00 C HETATM 1577 C3 GAL A 186 21.528 -4.022 5.246 1.00 0.00 C HETATM 1578 C4 GAL A 186 21.707 -3.339 6.589 1.00 0.00 C HETATM 1579 C5 GAL A 186 21.646 -4.357 7.720 1.00 0.00 C HETATM 1580 C6 GAL A 186 21.694 -3.702 9.084 1.00 0.00 C HETATM 1581 O2 GAL A 186 20.234 -5.644 4.048 1.00 0.00 O HETATM 1582 O3 GAL A 186 21.417 -3.034 4.233 1.00 0.00 O HETATM 1583 O4 GAL A 186 20.669 -2.385 6.765 1.00 0.00 O HETATM 1584 O5 GAL A 186 20.424 -5.118 7.669 1.00 0.00 O HETATM 1585 O6 GAL A 186 21.630 -4.668 10.123 1.00 0.00 O HETATM 0 HO6 GAL A 186 21.664 -4.216 10.992 1.00 0.00 H new HETATM 0 HO4 GAL A 186 19.910 -2.807 7.218 1.00 0.00 H new HETATM 0 HO3 GAL A 186 21.092 -2.197 4.626 1.00 0.00 H new HETATM 0 HO2 GAL A 186 20.226 -5.039 3.277 1.00 0.00 H new HETATM 0 H62 GAL A 186 22.612 -3.123 9.179 1.00 0.00 H new HETATM 0 H61 GAL A 186 20.864 -3.003 9.183 1.00 0.00 H new HETATM 0 H5 GAL A 186 22.516 -4.999 7.582 1.00 0.00 H new HETATM 0 H4 GAL A 186 22.681 -2.849 6.609 1.00 0.00 H new HETATM 0 H3 GAL A 186 22.392 -4.660 5.057 1.00 0.00 H new HETATM 0 H2 GAL A 186 19.404 -4.237 5.314 1.00 0.00 H new