USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=55 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 183 NAG O6 : rot 180:sc= 0 USER MOD Set 1.2: A 186 GAL O2 : rot 180:sc= 0 USER MOD Set 2.1: A 64 SER OG : rot 102:sc= -4.12! USER MOD Set 2.2: A 80 THR OG1 : rot 144:sc= -3.79! USER MOD Set 3.1: A 52 ASN :FLIP amide:sc= -0.605 F(o=-2.3,f=-0.67) USER MOD Set 3.2: A 55 SER OG : rot -79:sc= -0.063! USER MOD Single : A 1 ALA N :NH3+ -125:sc= -0.361 (180deg=-1.31) USER MOD Single : A 5 GLN : amide:sc= -0.206 K(o=-0.21,f=-2.2!) USER MOD Single : A 11 THR OG1 : rot 70:sc= -0.751! USER MOD Single : A 13 GLN :FLIP amide:sc= -1.86 F(o=-3.1!,f=-1.9) USER MOD Single : A 15 ASN : amide:sc= -11.5! C(o=-12!,f=-18!) USER MOD Single : A 19 SER OG : rot -63:sc= 1.08 USER MOD Single : A 20 GLN : amide:sc= -0.138 K(o=-0.14,f=-6.7!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl -178:sc= -6.09! (180deg=-6.41!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.861! USER MOD Single : A 43 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0616) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.00454) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 47 MET CE :methyl -142:sc= -2.6 (180deg=-4.73!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 52:sc= 0.889 USER MOD Single : A 58 THR OG1 : rot 39:sc= 0.436 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= 1.12 (180deg=0.902) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 69 THR OG1 : rot -58:sc= 0.0749 USER MOD Single : A 71 MET CE :methyl 164:sc= -0.505 (180deg=-1.15) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -15.6! C(o=-16!,f=-17!) USER MOD Single : A 83 HIS : no HE2:sc= -3.34! C(o=-3.3!,f=-3!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0533 USER MOD Single : A 86 THR OG1 : rot 20:sc= 0.206! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HE2:sc= -3.89! C(o=-3.9!,f=-4.8!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 35:sc= 0.0963 USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot 34:sc=-0.00268 USER MOD Single : A 179 NAG O3 : rot 136:sc= 0.124 USER MOD Single : A 179 NAG O6 : rot 39:sc= 0.00593 USER MOD Single : A 180 BMA O2 : rot 150:sc= 0.102 USER MOD Single : A 180 BMA O4 : rot -153:sc= 0.942 USER MOD Single : A 181 MAN O3 : rot -21:sc= 1.24 USER MOD Single : A 181 MAN O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O6 : rot 180:sc= -0.135 USER MOD Single : A 182 MAN O3 : rot 21:sc= 0.0816 USER MOD Single : A 182 MAN O4 : rot -144:sc= 1 USER MOD Single : A 182 MAN O6 : rot 180:sc= 0.873 USER MOD Single : A 183 NAG O3 : rot 126:sc= 0.142 USER MOD Single : A 184 NAG O3 : rot 152:sc= 0 USER MOD Single : A 184 NAG O6 : rot 32:sc= 0.00535 USER MOD Single : A 185 GAL O2 : rot 180:sc= 0 USER MOD Single : A 185 GAL O3 : rot 87:sc= 0.087 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.0685 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0 USER MOD Single : A 186 GAL O3 : rot 93:sc= 0.0806 USER MOD Single : A 186 GAL O4 : rot 91:sc= 0.0835 USER MOD Single : A 186 GAL O6 : rot -32:sc= 0.0239 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.124 -15.666 7.985 1.00 0.00 N ATOM 2 CA ALA A 1 -8.685 -15.357 8.198 1.00 0.00 C ATOM 3 C ALA A 1 -8.048 -14.794 6.928 1.00 0.00 C ATOM 4 O ALA A 1 -7.802 -13.593 6.828 1.00 0.00 O ATOM 5 CB ALA A 1 -7.941 -16.599 8.667 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.695 -15.171 8.700 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.410 -15.352 7.036 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.275 -16.691 8.070 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.613 -14.594 8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.889 -16.357 8.819 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.372 -16.949 9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.028 -17.382 7.914 1.00 0.00 H new ATOM 13 N PRO A 2 -7.779 -15.658 5.935 1.00 0.00 N ATOM 14 CA PRO A 2 -7.175 -15.247 4.666 1.00 0.00 C ATOM 15 C PRO A 2 -7.795 -13.962 4.128 1.00 0.00 C ATOM 16 O PRO A 2 -7.090 -12.991 3.848 1.00 0.00 O ATOM 17 CB PRO A 2 -7.465 -16.424 3.718 1.00 0.00 C ATOM 18 CG PRO A 2 -8.284 -17.402 4.506 1.00 0.00 C ATOM 19 CD PRO A 2 -8.042 -17.096 5.955 1.00 0.00 C ATOM 0 HA PRO A 2 -6.112 -15.033 4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.005 -16.087 2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.539 -16.882 3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.342 -17.307 4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.994 -18.427 4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.907 -17.342 6.572 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.197 -17.658 6.353 1.00 0.00 H new ATOM 27 N ASP A 3 -9.119 -13.964 3.996 1.00 0.00 N ATOM 28 CA ASP A 3 -9.851 -12.802 3.502 1.00 0.00 C ATOM 29 C ASP A 3 -10.102 -12.899 1.999 1.00 0.00 C ATOM 30 O ASP A 3 -9.292 -12.441 1.193 1.00 0.00 O ATOM 31 CB ASP A 3 -9.094 -11.512 3.824 1.00 0.00 C ATOM 32 CG ASP A 3 -9.991 -10.291 3.785 1.00 0.00 C ATOM 33 OD1 ASP A 3 -11.138 -10.382 4.271 1.00 0.00 O ATOM 34 OD2 ASP A 3 -9.548 -9.243 3.269 1.00 0.00 O ATOM 0 H ASP A 3 -9.710 -14.763 4.226 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.817 -12.783 4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.642 -11.596 4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.280 -11.384 3.111 1.00 0.00 H new ATOM 39 N VAL A 4 -11.240 -13.490 1.637 1.00 0.00 N ATOM 40 CA VAL A 4 -11.626 -13.649 0.236 1.00 0.00 C ATOM 41 C VAL A 4 -10.413 -13.640 -0.693 1.00 0.00 C ATOM 42 O VAL A 4 -9.359 -14.181 -0.355 1.00 0.00 O ATOM 43 CB VAL A 4 -12.605 -12.539 -0.195 1.00 0.00 C ATOM 44 CG1 VAL A 4 -13.789 -12.474 0.756 1.00 0.00 C ATOM 45 CG2 VAL A 4 -11.893 -11.196 -0.266 1.00 0.00 C ATOM 0 H VAL A 4 -11.915 -13.869 2.301 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.117 -14.619 0.154 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.981 -12.777 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.470 -11.685 0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.313 -13.430 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.434 -12.261 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.600 -10.425 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.487 -10.947 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -11.081 -11.252 -0.991 1.00 0.00 H new ATOM 55 N GLN A 5 -10.568 -13.028 -1.865 1.00 0.00 N ATOM 56 CA GLN A 5 -9.486 -12.956 -2.840 1.00 0.00 C ATOM 57 C GLN A 5 -9.190 -11.508 -3.219 1.00 0.00 C ATOM 58 O GLN A 5 -9.340 -11.116 -4.377 1.00 0.00 O ATOM 59 CB GLN A 5 -9.848 -13.762 -4.090 1.00 0.00 C ATOM 60 CG GLN A 5 -8.926 -13.499 -5.270 1.00 0.00 C ATOM 61 CD GLN A 5 -8.865 -14.667 -6.234 1.00 0.00 C ATOM 62 OE1 GLN A 5 -9.330 -15.765 -5.929 1.00 0.00 O ATOM 63 NE2 GLN A 5 -8.287 -14.436 -7.408 1.00 0.00 N ATOM 0 H GLN A 5 -11.433 -12.575 -2.161 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.590 -13.382 -2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.821 -14.824 -3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.872 -13.527 -4.380 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.267 -12.611 -5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.923 -13.284 -4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.915 -13.510 -7.620 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.216 -15.184 -8.097 1.00 0.00 H new ATOM 72 N ASP A 6 -8.766 -10.716 -2.239 1.00 0.00 N ATOM 73 CA ASP A 6 -8.448 -9.312 -2.475 1.00 0.00 C ATOM 74 C ASP A 6 -7.102 -8.943 -1.855 1.00 0.00 C ATOM 75 O ASP A 6 -6.697 -9.516 -0.844 1.00 0.00 O ATOM 76 CB ASP A 6 -9.551 -8.412 -1.911 1.00 0.00 C ATOM 77 CG ASP A 6 -9.649 -8.491 -0.401 1.00 0.00 C ATOM 78 OD1 ASP A 6 -8.660 -8.905 0.239 1.00 0.00 O ATOM 79 OD2 ASP A 6 -10.716 -8.134 0.143 1.00 0.00 O ATOM 0 H ASP A 6 -8.635 -11.022 -1.275 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.382 -9.159 -3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.360 -7.380 -2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.507 -8.697 -2.349 1.00 0.00 H new ATOM 84 N CYS A 7 -6.417 -7.985 -2.470 1.00 0.00 N ATOM 85 CA CYS A 7 -5.117 -7.535 -1.982 1.00 0.00 C ATOM 86 C CYS A 7 -5.072 -7.555 -0.453 1.00 0.00 C ATOM 87 O CYS A 7 -5.907 -6.937 0.210 1.00 0.00 O ATOM 88 CB CYS A 7 -4.823 -6.129 -2.505 1.00 0.00 C ATOM 89 SG CYS A 7 -3.401 -5.318 -1.711 1.00 0.00 S ATOM 0 H CYS A 7 -6.741 -7.504 -3.309 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.353 -8.219 -2.351 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.643 -6.184 -3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.707 -5.508 -2.362 1.00 0.00 H new ATOM 94 N PRO A 8 -4.101 -8.282 0.124 1.00 0.00 N ATOM 95 CA PRO A 8 -3.949 -8.407 1.581 1.00 0.00 C ATOM 96 C PRO A 8 -3.744 -7.069 2.291 1.00 0.00 C ATOM 97 O PRO A 8 -2.626 -6.727 2.676 1.00 0.00 O ATOM 98 CB PRO A 8 -2.704 -9.286 1.743 1.00 0.00 C ATOM 99 CG PRO A 8 -2.564 -10.002 0.445 1.00 0.00 C ATOM 100 CD PRO A 8 -3.084 -9.060 -0.604 1.00 0.00 C ATOM 0 HA PRO A 8 -4.851 -8.821 2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.821 -8.684 1.958 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.821 -9.987 2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.523 -10.264 0.254 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.131 -10.933 0.449 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.294 -8.421 -1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.515 -9.596 -1.450 1.00 0.00 H new ATOM 108 N GLU A 9 -4.834 -6.330 2.488 1.00 0.00 N ATOM 109 CA GLU A 9 -4.785 -5.041 3.181 1.00 0.00 C ATOM 110 C GLU A 9 -3.678 -4.144 2.641 1.00 0.00 C ATOM 111 O GLU A 9 -2.756 -4.605 1.969 1.00 0.00 O ATOM 112 CB GLU A 9 -4.576 -5.260 4.680 1.00 0.00 C ATOM 113 CG GLU A 9 -5.322 -4.266 5.555 1.00 0.00 C ATOM 114 CD GLU A 9 -4.890 -4.332 7.008 1.00 0.00 C ATOM 115 OE1 GLU A 9 -4.839 -5.452 7.561 1.00 0.00 O ATOM 116 OE2 GLU A 9 -4.602 -3.266 7.591 1.00 0.00 O ATOM 0 H GLU A 9 -5.766 -6.602 2.177 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.738 -4.542 3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.896 -6.269 4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.511 -5.197 4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.157 -3.258 5.176 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.392 -4.460 5.488 1.00 0.00 H new ATOM 123 N CYS A 10 -3.782 -2.856 2.948 1.00 0.00 N ATOM 124 CA CYS A 10 -2.796 -1.883 2.501 1.00 0.00 C ATOM 125 C CYS A 10 -1.396 -2.267 2.962 1.00 0.00 C ATOM 126 O CYS A 10 -1.175 -2.592 4.128 1.00 0.00 O ATOM 127 CB CYS A 10 -3.145 -0.486 3.017 1.00 0.00 C ATOM 128 SG CYS A 10 -1.809 0.735 2.798 1.00 0.00 S ATOM 0 H CYS A 10 -4.540 -2.462 3.505 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.812 -1.875 1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.037 -0.131 2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.394 -0.552 4.076 1.00 0.00 H new ATOM 133 N THR A 11 -0.453 -2.218 2.030 1.00 0.00 N ATOM 134 CA THR A 11 0.935 -2.548 2.312 1.00 0.00 C ATOM 135 C THR A 11 1.851 -1.729 1.406 1.00 0.00 C ATOM 136 O THR A 11 1.517 -0.601 1.042 1.00 0.00 O ATOM 137 CB THR A 11 1.164 -4.052 2.118 1.00 0.00 C ATOM 138 OG1 THR A 11 2.525 -4.336 1.847 1.00 0.00 O ATOM 139 CG2 THR A 11 0.336 -4.639 0.996 1.00 0.00 C ATOM 0 H THR A 11 -0.629 -1.949 1.062 1.00 0.00 H new ATOM 0 HA THR A 11 1.168 -2.302 3.348 1.00 0.00 H new ATOM 0 HB THR A 11 0.856 -4.509 3.058 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.059 -4.179 2.654 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.544 -5.706 0.910 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.723 -4.492 1.209 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.590 -4.143 0.059 1.00 0.00 H new ATOM 147 N LEU A 12 2.997 -2.288 1.036 1.00 0.00 N ATOM 148 CA LEU A 12 3.934 -1.584 0.169 1.00 0.00 C ATOM 149 C LEU A 12 4.101 -2.310 -1.159 1.00 0.00 C ATOM 150 O LEU A 12 4.140 -3.539 -1.209 1.00 0.00 O ATOM 151 CB LEU A 12 5.293 -1.438 0.852 1.00 0.00 C ATOM 152 CG LEU A 12 5.450 -0.194 1.725 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.167 0.088 2.491 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.616 -0.373 2.678 1.00 0.00 C ATOM 0 H LEU A 12 3.298 -3.220 1.320 1.00 0.00 H new ATOM 0 HA LEU A 12 3.525 -0.593 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.469 -2.320 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.068 -1.425 0.085 1.00 0.00 H new ATOM 0 HG LEU A 12 5.654 0.662 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.299 0.978 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.351 0.252 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.930 -0.763 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.721 0.518 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.435 -1.238 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.532 -0.528 2.107 1.00 0.00 H new ATOM 166 N GLN A 13 4.202 -1.540 -2.234 1.00 0.00 N ATOM 167 CA GLN A 13 4.370 -2.109 -3.563 1.00 0.00 C ATOM 168 C GLN A 13 5.812 -2.079 -3.980 1.00 0.00 C ATOM 169 O GLN A 13 6.147 -1.675 -5.092 1.00 0.00 O ATOM 170 CB GLN A 13 3.561 -1.347 -4.572 1.00 0.00 C ATOM 171 CG GLN A 13 2.124 -1.161 -4.155 1.00 0.00 C ATOM 172 CD GLN A 13 1.143 -1.652 -5.199 1.00 0.00 C ATOM 173 OE1 GLN A 13 0.869 -2.951 -5.187 1.00 0.00 O flip ATOM 174 NE2 GLN A 13 0.638 -0.874 -6.008 1.00 0.00 N flip ATOM 0 H GLN A 13 4.170 -0.521 -2.211 1.00 0.00 H new ATOM 0 HA GLN A 13 4.026 -3.142 -3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.017 -0.370 -4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.592 -1.873 -5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.950 -1.694 -3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.941 -0.105 -3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.878 0.117 -5.980 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.020 -1.220 -6.706 1.00 0.00 H new ATOM 183 N GLU A 14 6.648 -2.486 -3.060 1.00 0.00 N ATOM 184 CA GLU A 14 8.089 -2.502 -3.271 1.00 0.00 C ATOM 185 C GLU A 14 8.427 -2.137 -4.696 1.00 0.00 C ATOM 186 O GLU A 14 8.035 -2.810 -5.647 1.00 0.00 O ATOM 187 CB GLU A 14 8.709 -3.844 -2.930 1.00 0.00 C ATOM 188 CG GLU A 14 10.201 -3.900 -3.226 1.00 0.00 C ATOM 189 CD GLU A 14 10.584 -5.104 -4.063 1.00 0.00 C ATOM 190 OE1 GLU A 14 10.891 -6.163 -3.475 1.00 0.00 O ATOM 191 OE2 GLU A 14 10.579 -4.987 -5.306 1.00 0.00 O ATOM 0 H GLU A 14 6.358 -2.818 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 14 8.509 -1.758 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.545 -4.056 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.202 -4.627 -3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.499 -2.990 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.753 -3.924 -2.287 1.00 0.00 H new ATOM 198 N ASN A 15 9.140 -1.051 -4.812 1.00 0.00 N ATOM 199 CA ASN A 15 9.544 -0.516 -6.091 1.00 0.00 C ATOM 200 C ASN A 15 10.358 -1.507 -6.903 1.00 0.00 C ATOM 201 O ASN A 15 11.552 -1.689 -6.665 1.00 0.00 O ATOM 202 CB ASN A 15 10.331 0.768 -5.900 1.00 0.00 C ATOM 203 CG ASN A 15 9.784 1.893 -6.747 1.00 0.00 C ATOM 204 OD1 ASN A 15 10.234 2.118 -7.870 1.00 0.00 O ATOM 205 ND2 ASN A 15 8.805 2.600 -6.212 1.00 0.00 N ATOM 0 H ASN A 15 9.463 -0.503 -4.014 1.00 0.00 H new ATOM 0 HA ASN A 15 8.633 -0.307 -6.651 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.304 1.058 -4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.376 0.595 -6.156 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.388 3.371 -6.734 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.466 2.375 -5.277 1.00 0.00 H new ATOM 212 N PRO A 16 9.732 -2.127 -7.915 1.00 0.00 N ATOM 213 CA PRO A 16 10.421 -3.055 -8.798 1.00 0.00 C ATOM 214 C PRO A 16 11.254 -2.273 -9.795 1.00 0.00 C ATOM 215 O PRO A 16 11.881 -2.827 -10.699 1.00 0.00 O ATOM 216 CB PRO A 16 9.279 -3.793 -9.489 1.00 0.00 C ATOM 217 CG PRO A 16 8.170 -2.798 -9.535 1.00 0.00 C ATOM 218 CD PRO A 16 8.326 -1.924 -8.312 1.00 0.00 C ATOM 0 HA PRO A 16 11.104 -3.734 -8.287 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.564 -4.118 -10.490 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.989 -4.686 -8.935 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.221 -2.202 -10.446 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.201 -3.297 -9.534 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.121 -0.878 -8.539 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.639 -2.219 -7.519 1.00 0.00 H new ATOM 226 N PHE A 17 11.243 -0.967 -9.587 1.00 0.00 N ATOM 227 CA PHE A 17 11.973 -0.023 -10.407 1.00 0.00 C ATOM 228 C PHE A 17 13.315 0.279 -9.769 1.00 0.00 C ATOM 229 O PHE A 17 14.372 -0.039 -10.314 1.00 0.00 O ATOM 230 CB PHE A 17 11.169 1.271 -10.524 1.00 0.00 C ATOM 231 CG PHE A 17 11.551 2.106 -11.706 1.00 0.00 C ATOM 232 CD1 PHE A 17 12.590 1.719 -12.535 1.00 0.00 C ATOM 233 CD2 PHE A 17 10.868 3.275 -11.988 1.00 0.00 C ATOM 234 CE1 PHE A 17 12.941 2.485 -13.629 1.00 0.00 C ATOM 235 CE2 PHE A 17 11.212 4.045 -13.082 1.00 0.00 C ATOM 236 CZ PHE A 17 12.252 3.651 -13.904 1.00 0.00 C ATOM 0 H PHE A 17 10.717 -0.529 -8.831 1.00 0.00 H new ATOM 0 HA PHE A 17 12.131 -0.451 -11.397 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.109 1.026 -10.589 1.00 0.00 H new ATOM 0 HB3 PHE A 17 11.305 1.858 -9.615 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.132 0.809 -12.324 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.058 3.589 -11.347 1.00 0.00 H new ATOM 0 HE1 PHE A 17 13.753 2.173 -14.269 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.669 4.954 -13.295 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.525 4.253 -14.758 1.00 0.00 H new ATOM 246 N PHE A 18 13.247 0.889 -8.595 1.00 0.00 N ATOM 247 CA PHE A 18 14.434 1.239 -7.840 1.00 0.00 C ATOM 248 C PHE A 18 15.032 -0.006 -7.205 1.00 0.00 C ATOM 249 O PHE A 18 16.093 0.044 -6.587 1.00 0.00 O ATOM 250 CB PHE A 18 14.079 2.269 -6.771 1.00 0.00 C ATOM 251 CG PHE A 18 13.128 3.319 -7.266 1.00 0.00 C ATOM 252 CD1 PHE A 18 13.426 4.050 -8.399 1.00 0.00 C ATOM 253 CD2 PHE A 18 11.939 3.575 -6.603 1.00 0.00 C ATOM 254 CE1 PHE A 18 12.560 5.018 -8.869 1.00 0.00 C ATOM 255 CE2 PHE A 18 11.069 4.544 -7.065 1.00 0.00 C ATOM 256 CZ PHE A 18 11.379 5.267 -8.199 1.00 0.00 C ATOM 0 H PHE A 18 12.371 1.153 -8.144 1.00 0.00 H new ATOM 0 HA PHE A 18 15.174 1.673 -8.512 1.00 0.00 H new ATOM 0 HB2 PHE A 18 13.636 1.759 -5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.992 2.749 -6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 18 14.350 3.862 -8.926 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.689 3.012 -5.716 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.806 5.579 -9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.146 4.736 -6.538 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.700 6.025 -8.561 1.00 0.00 H new ATOM 266 N SER A 19 14.335 -1.128 -7.371 1.00 0.00 N ATOM 267 CA SER A 19 14.787 -2.395 -6.822 1.00 0.00 C ATOM 268 C SER A 19 16.172 -2.741 -7.348 1.00 0.00 C ATOM 269 O SER A 19 16.312 -3.421 -8.365 1.00 0.00 O ATOM 270 CB SER A 19 13.799 -3.511 -7.174 1.00 0.00 C ATOM 271 OG SER A 19 14.479 -4.703 -7.526 1.00 0.00 O ATOM 0 H SER A 19 13.454 -1.181 -7.883 1.00 0.00 H new ATOM 0 HA SER A 19 14.839 -2.299 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.142 -3.701 -6.325 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.166 -3.192 -8.002 1.00 0.00 H new ATOM 0 HG SER A 19 15.012 -4.549 -8.334 1.00 0.00 H new ATOM 277 N GLN A 20 17.195 -2.273 -6.644 1.00 0.00 N ATOM 278 CA GLN A 20 18.571 -2.535 -7.032 1.00 0.00 C ATOM 279 C GLN A 20 19.105 -3.743 -6.277 1.00 0.00 C ATOM 280 O GLN A 20 18.612 -4.071 -5.200 1.00 0.00 O ATOM 281 CB GLN A 20 19.443 -1.308 -6.752 1.00 0.00 C ATOM 282 CG GLN A 20 19.829 -1.152 -5.290 1.00 0.00 C ATOM 283 CD GLN A 20 21.278 -1.518 -5.031 1.00 0.00 C ATOM 284 OE1 GLN A 20 21.806 -2.458 -5.622 1.00 0.00 O ATOM 285 NE2 GLN A 20 21.927 -0.775 -4.143 1.00 0.00 N ATOM 0 H GLN A 20 17.095 -1.709 -5.800 1.00 0.00 H new ATOM 0 HA GLN A 20 18.601 -2.747 -8.101 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.350 -1.373 -7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 20 18.910 -0.414 -7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.657 -0.121 -4.980 1.00 0.00 H new ATOM 0 HG3 GLN A 20 19.183 -1.781 -4.678 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.449 -0.004 -3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.904 -0.975 -3.927 1.00 0.00 H new ATOM 294 N PRO A 21 20.122 -4.421 -6.830 1.00 0.00 N ATOM 295 CA PRO A 21 20.726 -5.595 -6.199 1.00 0.00 C ATOM 296 C PRO A 21 21.065 -5.338 -4.735 1.00 0.00 C ATOM 297 O PRO A 21 22.236 -5.255 -4.361 1.00 0.00 O ATOM 298 CB PRO A 21 22.007 -5.837 -7.017 1.00 0.00 C ATOM 299 CG PRO A 21 22.152 -4.641 -7.905 1.00 0.00 C ATOM 300 CD PRO A 21 20.768 -4.100 -8.103 1.00 0.00 C ATOM 0 HA PRO A 21 20.051 -6.451 -6.196 1.00 0.00 H new ATOM 0 HB2 PRO A 21 22.873 -5.948 -6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 21 21.930 -6.753 -7.603 1.00 0.00 H new ATOM 0 HG2 PRO A 21 22.801 -3.893 -7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 21 22.603 -4.916 -8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.775 -3.027 -8.296 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.263 -4.573 -8.946 1.00 0.00 H new ATOM 308 N GLY A 22 20.029 -5.203 -3.913 1.00 0.00 N ATOM 309 CA GLY A 22 20.231 -4.947 -2.503 1.00 0.00 C ATOM 310 C GLY A 22 19.285 -3.896 -1.956 1.00 0.00 C ATOM 311 O GLY A 22 19.338 -3.572 -0.770 1.00 0.00 O ATOM 0 H GLY A 22 19.053 -5.267 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.097 -5.875 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.259 -4.624 -2.341 1.00 0.00 H new ATOM 315 N ALA A 23 18.421 -3.350 -2.813 1.00 0.00 N ATOM 316 CA ALA A 23 17.483 -2.326 -2.375 1.00 0.00 C ATOM 317 C ALA A 23 16.234 -2.288 -3.235 1.00 0.00 C ATOM 318 O ALA A 23 16.243 -1.815 -4.372 1.00 0.00 O ATOM 319 CB ALA A 23 18.170 -0.974 -2.348 1.00 0.00 C ATOM 0 H ALA A 23 18.354 -3.598 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 23 17.158 -2.579 -1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.462 -0.213 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.013 -1.008 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.529 -0.728 -3.347 1.00 0.00 H new ATOM 325 N PRO A 24 15.150 -2.824 -2.674 1.00 0.00 N ATOM 326 CA PRO A 24 13.850 -2.929 -3.305 1.00 0.00 C ATOM 327 C PRO A 24 12.834 -1.916 -2.779 1.00 0.00 C ATOM 328 O PRO A 24 11.949 -2.252 -1.994 1.00 0.00 O ATOM 329 CB PRO A 24 13.475 -4.342 -2.885 1.00 0.00 C ATOM 330 CG PRO A 24 14.072 -4.508 -1.515 1.00 0.00 C ATOM 331 CD PRO A 24 15.110 -3.431 -1.349 1.00 0.00 C ATOM 0 HA PRO A 24 13.864 -2.732 -4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.393 -4.474 -2.864 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.872 -5.080 -3.582 1.00 0.00 H new ATOM 0 HG2 PRO A 24 13.303 -4.423 -0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.521 -5.495 -1.408 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.828 -2.711 -0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.078 -3.841 -1.061 1.00 0.00 H new ATOM 339 N ILE A 25 12.984 -0.678 -3.229 1.00 0.00 N ATOM 340 CA ILE A 25 12.121 0.426 -2.855 1.00 0.00 C ATOM 341 C ILE A 25 10.647 0.057 -2.783 1.00 0.00 C ATOM 342 O ILE A 25 10.289 -1.116 -2.836 1.00 0.00 O ATOM 343 CB ILE A 25 12.350 1.569 -3.848 1.00 0.00 C ATOM 344 CG1 ILE A 25 13.757 2.064 -3.647 1.00 0.00 C ATOM 345 CG2 ILE A 25 11.370 2.699 -3.622 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.077 2.174 -2.180 1.00 0.00 C ATOM 0 H ILE A 25 13.725 -0.411 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 25 12.386 0.729 -1.842 1.00 0.00 H new ATOM 0 HB ILE A 25 12.200 1.209 -4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 25 14.460 1.383 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.878 3.036 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.559 3.494 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.353 2.329 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.491 3.089 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.099 2.533 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.387 2.873 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.978 1.195 -1.712 1.00 0.00 H new ATOM 358 N LEU A 26 9.800 1.073 -2.584 1.00 0.00 N ATOM 359 CA LEU A 26 8.374 0.864 -2.415 1.00 0.00 C ATOM 360 C LEU A 26 7.527 2.024 -2.868 1.00 0.00 C ATOM 361 O LEU A 26 7.965 2.909 -3.599 1.00 0.00 O ATOM 362 CB LEU A 26 8.141 0.650 -0.946 1.00 0.00 C ATOM 363 CG LEU A 26 9.434 0.405 -0.213 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.352 0.848 1.229 1.00 0.00 C ATOM 365 CD2 LEU A 26 9.843 -1.054 -0.314 1.00 0.00 C ATOM 0 H LEU A 26 10.088 2.050 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 26 8.082 0.014 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.642 1.523 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.473 -0.199 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 26 10.204 1.009 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.304 0.655 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.132 1.915 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.561 0.295 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.779 -1.207 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.067 -1.681 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.977 -1.323 -1.362 1.00 0.00 H new ATOM 377 N GLN A 27 6.297 1.985 -2.390 1.00 0.00 N ATOM 378 CA GLN A 27 5.310 3.017 -2.695 1.00 0.00 C ATOM 379 C GLN A 27 3.895 2.602 -2.269 1.00 0.00 C ATOM 380 O GLN A 27 2.948 2.695 -3.049 1.00 0.00 O ATOM 381 CB GLN A 27 5.343 3.361 -4.187 1.00 0.00 C ATOM 382 CG GLN A 27 4.550 4.608 -4.540 1.00 0.00 C ATOM 383 CD GLN A 27 5.295 5.884 -4.199 1.00 0.00 C ATOM 384 OE1 GLN A 27 6.244 6.265 -4.883 1.00 0.00 O ATOM 385 NE2 GLN A 27 4.869 6.553 -3.133 1.00 0.00 N ATOM 0 H GLN A 27 5.950 1.243 -1.782 1.00 0.00 H new ATOM 0 HA GLN A 27 5.575 3.904 -2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.379 3.499 -4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.950 2.518 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.320 4.599 -5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.599 4.593 -4.008 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.078 6.202 -2.593 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.333 7.418 -2.855 1.00 0.00 H new ATOM 394 N CYS A 28 3.775 2.170 -1.015 1.00 0.00 N ATOM 395 CA CYS A 28 2.497 1.755 -0.416 1.00 0.00 C ATOM 396 C CYS A 28 1.476 1.248 -1.433 1.00 0.00 C ATOM 397 O CYS A 28 1.027 1.987 -2.308 1.00 0.00 O ATOM 398 CB CYS A 28 1.871 2.910 0.371 1.00 0.00 C ATOM 399 SG CYS A 28 0.953 2.383 1.856 1.00 0.00 S ATOM 0 H CYS A 28 4.566 2.096 -0.376 1.00 0.00 H new ATOM 0 HA CYS A 28 2.743 0.923 0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.659 3.602 0.670 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.196 3.460 -0.285 1.00 0.00 H new ATOM 404 N MET A 29 1.077 -0.011 -1.273 1.00 0.00 N ATOM 405 CA MET A 29 0.071 -0.619 -2.142 1.00 0.00 C ATOM 406 C MET A 29 -1.292 0.028 -1.908 1.00 0.00 C ATOM 407 O MET A 29 -1.814 0.729 -2.774 1.00 0.00 O ATOM 408 CB MET A 29 -0.022 -2.124 -1.880 1.00 0.00 C ATOM 409 CG MET A 29 -1.217 -2.784 -2.548 1.00 0.00 C ATOM 410 SD MET A 29 -0.795 -4.351 -3.333 1.00 0.00 S ATOM 411 CE MET A 29 0.208 -5.107 -2.056 1.00 0.00 C ATOM 0 H MET A 29 1.436 -0.632 -0.548 1.00 0.00 H new ATOM 0 HA MET A 29 0.370 -0.457 -3.178 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.891 -2.603 -2.233 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.077 -2.295 -0.805 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.997 -2.952 -1.805 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.630 -2.107 -3.296 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.576 -6.071 -2.406 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.053 -4.458 -1.825 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.394 -5.252 -1.159 1.00 0.00 H new ATOM 421 N GLY A 30 -1.857 -0.206 -0.725 1.00 0.00 N ATOM 422 CA GLY A 30 -3.149 0.369 -0.387 1.00 0.00 C ATOM 423 C GLY A 30 -4.321 -0.472 -0.862 1.00 0.00 C ATOM 424 O GLY A 30 -4.691 -0.424 -2.035 1.00 0.00 O ATOM 0 H GLY A 30 -1.442 -0.784 0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.213 0.492 0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.223 1.364 -0.826 1.00 0.00 H new ATOM 428 N CYS A 31 -4.912 -1.239 0.054 1.00 0.00 N ATOM 429 CA CYS A 31 -6.053 -2.083 -0.274 1.00 0.00 C ATOM 430 C CYS A 31 -6.785 -2.495 0.998 1.00 0.00 C ATOM 431 O CYS A 31 -6.989 -3.681 1.255 1.00 0.00 O ATOM 432 CB CYS A 31 -5.591 -3.322 -1.043 1.00 0.00 C ATOM 433 SG CYS A 31 -4.249 -4.237 -0.220 1.00 0.00 S ATOM 0 H CYS A 31 -4.617 -1.291 1.029 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.738 -1.516 -0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.441 -3.990 -1.183 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.257 -3.019 -2.035 1.00 0.00 H new ATOM 438 N CYS A 32 -7.170 -1.502 1.793 1.00 0.00 N ATOM 439 CA CYS A 32 -7.874 -1.749 3.047 1.00 0.00 C ATOM 440 C CYS A 32 -9.219 -2.421 2.795 1.00 0.00 C ATOM 441 O CYS A 32 -10.273 -1.846 3.068 1.00 0.00 O ATOM 442 CB CYS A 32 -8.077 -0.437 3.811 1.00 0.00 C ATOM 443 SG CYS A 32 -6.823 -0.124 5.099 1.00 0.00 S ATOM 0 H CYS A 32 -7.006 -0.516 1.591 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.263 -2.420 3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.067 0.390 3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.064 -0.448 4.274 1.00 0.00 H new ATOM 448 N PHE A 33 -9.173 -3.641 2.272 1.00 0.00 N ATOM 449 CA PHE A 33 -10.386 -4.398 1.980 1.00 0.00 C ATOM 450 C PHE A 33 -11.379 -3.553 1.194 1.00 0.00 C ATOM 451 O PHE A 33 -11.050 -2.462 0.731 1.00 0.00 O ATOM 452 CB PHE A 33 -11.025 -4.895 3.276 1.00 0.00 C ATOM 453 CG PHE A 33 -10.091 -5.717 4.120 1.00 0.00 C ATOM 454 CD1 PHE A 33 -9.029 -6.391 3.538 1.00 0.00 C ATOM 455 CD2 PHE A 33 -10.273 -5.815 5.491 1.00 0.00 C ATOM 456 CE1 PHE A 33 -8.165 -7.145 4.307 1.00 0.00 C ATOM 457 CE2 PHE A 33 -9.410 -6.569 6.265 1.00 0.00 C ATOM 458 CZ PHE A 33 -8.355 -7.235 5.671 1.00 0.00 C ATOM 0 H PHE A 33 -8.307 -4.128 2.041 1.00 0.00 H new ATOM 0 HA PHE A 33 -10.111 -5.258 1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.369 -4.038 3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.905 -5.491 3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.876 -6.326 2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.097 -5.297 5.959 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.341 -7.664 3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.560 -6.637 7.332 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.680 -7.825 6.273 1.00 0.00 H new ATOM 468 N SER A 34 -12.594 -4.068 1.038 1.00 0.00 N ATOM 469 CA SER A 34 -13.634 -3.364 0.297 1.00 0.00 C ATOM 470 C SER A 34 -13.466 -3.586 -1.204 1.00 0.00 C ATOM 471 O SER A 34 -14.377 -3.323 -1.988 1.00 0.00 O ATOM 472 CB SER A 34 -13.596 -1.867 0.613 1.00 0.00 C ATOM 473 OG SER A 34 -14.861 -1.408 1.058 1.00 0.00 O ATOM 0 H SER A 34 -12.883 -4.971 1.415 1.00 0.00 H new ATOM 0 HA SER A 34 -14.601 -3.763 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.845 -1.673 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.296 -1.312 -0.276 1.00 0.00 H new ATOM 0 HG SER A 34 -14.810 -0.449 1.255 1.00 0.00 H new ATOM 479 N ARG A 35 -12.292 -4.075 -1.592 1.00 0.00 N ATOM 480 CA ARG A 35 -11.991 -4.341 -2.993 1.00 0.00 C ATOM 481 C ARG A 35 -12.443 -5.745 -3.382 1.00 0.00 C ATOM 482 O ARG A 35 -11.915 -6.739 -2.880 1.00 0.00 O ATOM 483 CB ARG A 35 -10.487 -4.171 -3.245 1.00 0.00 C ATOM 484 CG ARG A 35 -9.925 -5.080 -4.330 1.00 0.00 C ATOM 485 CD ARG A 35 -8.469 -5.422 -4.058 1.00 0.00 C ATOM 486 NE ARG A 35 -7.664 -5.420 -5.277 1.00 0.00 N ATOM 487 CZ ARG A 35 -7.887 -6.224 -6.309 1.00 0.00 C ATOM 488 NH1 ARG A 35 -8.902 -7.076 -6.280 1.00 0.00 N ATOM 489 NH2 ARG A 35 -7.095 -6.176 -7.373 1.00 0.00 N ATOM 0 H ARG A 35 -11.530 -4.296 -0.951 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.535 -3.626 -3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.292 -3.134 -3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.951 -4.361 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.513 -5.996 -4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.012 -4.590 -5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.055 -4.704 -3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.410 -6.403 -3.587 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.886 -4.763 -5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.513 -7.114 -5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.072 -7.693 -7.074 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.314 -5.521 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.268 -6.795 -8.166 1.00 0.00 H new ATOM 503 N ALA A 36 -13.425 -5.823 -4.276 1.00 0.00 N ATOM 504 CA ALA A 36 -13.946 -7.108 -4.724 1.00 0.00 C ATOM 505 C ALA A 36 -14.097 -7.148 -6.241 1.00 0.00 C ATOM 506 O ALA A 36 -14.914 -7.898 -6.776 1.00 0.00 O ATOM 507 CB ALA A 36 -15.278 -7.393 -4.051 1.00 0.00 C ATOM 0 H ALA A 36 -13.874 -5.013 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.231 -7.881 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.659 -8.355 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.141 -7.419 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.990 -6.609 -4.307 1.00 0.00 H new ATOM 513 N TYR A 37 -13.302 -6.336 -6.929 1.00 0.00 N ATOM 514 CA TYR A 37 -13.342 -6.278 -8.386 1.00 0.00 C ATOM 515 C TYR A 37 -12.303 -7.216 -8.995 1.00 0.00 C ATOM 516 O TYR A 37 -11.116 -7.130 -8.681 1.00 0.00 O ATOM 517 CB TYR A 37 -13.095 -4.848 -8.873 1.00 0.00 C ATOM 518 CG TYR A 37 -12.840 -3.858 -7.759 1.00 0.00 C ATOM 519 CD1 TYR A 37 -13.781 -3.649 -6.757 1.00 0.00 C ATOM 520 CD2 TYR A 37 -11.658 -3.130 -7.710 1.00 0.00 C ATOM 521 CE1 TYR A 37 -13.550 -2.744 -5.739 1.00 0.00 C ATOM 522 CE2 TYR A 37 -11.419 -2.223 -6.694 1.00 0.00 C ATOM 523 CZ TYR A 37 -12.367 -2.034 -5.712 1.00 0.00 C ATOM 524 OH TYR A 37 -12.134 -1.133 -4.699 1.00 0.00 O ATOM 0 H TYR A 37 -12.621 -5.708 -6.501 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.333 -6.597 -8.707 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -12.240 -4.847 -9.549 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.958 -4.517 -9.450 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.708 -4.203 -6.775 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -10.913 -3.275 -8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.291 -2.593 -4.968 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.494 -1.666 -6.670 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.255 -0.718 -4.826 1.00 0.00 H new ATOM 534 N PRO A 38 -12.741 -8.129 -9.876 1.00 0.00 N ATOM 535 CA PRO A 38 -11.857 -9.085 -10.532 1.00 0.00 C ATOM 536 C PRO A 38 -11.257 -8.531 -11.820 1.00 0.00 C ATOM 537 O PRO A 38 -11.697 -7.499 -12.326 1.00 0.00 O ATOM 538 CB PRO A 38 -12.804 -10.240 -10.839 1.00 0.00 C ATOM 539 CG PRO A 38 -14.115 -9.581 -11.117 1.00 0.00 C ATOM 540 CD PRO A 38 -14.141 -8.303 -10.306 1.00 0.00 C ATOM 0 HA PRO A 38 -10.998 -9.354 -9.918 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.460 -10.819 -11.696 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.876 -10.929 -9.998 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.222 -9.367 -12.180 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.943 -10.233 -10.838 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.484 -7.458 -10.903 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.814 -8.385 -9.453 1.00 0.00 H new ATOM 548 N THR A 39 -10.257 -9.225 -12.349 1.00 0.00 N ATOM 549 CA THR A 39 -9.606 -8.801 -13.581 1.00 0.00 C ATOM 550 C THR A 39 -10.626 -8.643 -14.697 1.00 0.00 C ATOM 551 O THR A 39 -10.772 -7.579 -15.298 1.00 0.00 O ATOM 552 CB THR A 39 -8.533 -9.811 -13.990 1.00 0.00 C ATOM 553 OG1 THR A 39 -8.502 -10.901 -13.085 1.00 0.00 O ATOM 554 CG2 THR A 39 -7.142 -9.220 -14.042 1.00 0.00 C ATOM 0 H THR A 39 -9.880 -10.082 -11.945 1.00 0.00 H new ATOM 0 HA THR A 39 -9.132 -7.836 -13.404 1.00 0.00 H new ATOM 0 HB THR A 39 -8.809 -10.136 -14.993 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.811 -11.538 -13.363 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.430 -9.990 -14.339 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.119 -8.406 -14.767 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.873 -8.837 -13.058 1.00 0.00 H new ATOM 562 N PRO A 40 -11.338 -9.727 -14.966 1.00 0.00 N ATOM 563 CA PRO A 40 -12.372 -9.795 -15.995 1.00 0.00 C ATOM 564 C PRO A 40 -13.697 -9.205 -15.524 1.00 0.00 C ATOM 565 O PRO A 40 -14.091 -9.382 -14.372 1.00 0.00 O ATOM 566 CB PRO A 40 -12.508 -11.299 -16.229 1.00 0.00 C ATOM 567 CG PRO A 40 -12.169 -11.915 -14.911 1.00 0.00 C ATOM 568 CD PRO A 40 -11.169 -10.993 -14.256 1.00 0.00 C ATOM 0 HA PRO A 40 -12.113 -9.224 -16.887 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.518 -11.562 -16.542 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -11.832 -11.641 -17.013 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -13.060 -12.024 -14.293 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.749 -12.912 -15.044 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -11.367 -10.882 -13.190 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.152 -11.373 -14.354 1.00 0.00 H new ATOM 576 N LEU A 41 -14.380 -8.504 -16.421 1.00 0.00 N ATOM 577 CA LEU A 41 -15.661 -7.889 -16.094 1.00 0.00 C ATOM 578 C LEU A 41 -16.802 -8.599 -16.817 1.00 0.00 C ATOM 579 O LEU A 41 -16.569 -9.424 -17.700 1.00 0.00 O ATOM 580 CB LEU A 41 -15.645 -6.404 -16.462 1.00 0.00 C ATOM 581 CG LEU A 41 -14.302 -5.700 -16.257 1.00 0.00 C ATOM 582 CD1 LEU A 41 -14.103 -4.618 -17.307 1.00 0.00 C ATOM 583 CD2 LEU A 41 -14.218 -5.109 -14.857 1.00 0.00 C ATOM 0 H LEU A 41 -14.069 -8.347 -17.380 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.823 -7.985 -15.020 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.936 -6.301 -17.507 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.401 -5.890 -15.869 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.506 -6.436 -16.367 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.143 -4.127 -17.146 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.119 -5.067 -18.300 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.904 -3.883 -17.228 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.256 -4.612 -14.729 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -15.021 -4.385 -14.719 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.316 -5.905 -14.119 1.00 0.00 H new ATOM 595 N ARG A 42 -18.037 -8.275 -16.433 1.00 0.00 N ATOM 596 CA ARG A 42 -19.218 -8.884 -17.043 1.00 0.00 C ATOM 597 C ARG A 42 -18.930 -9.318 -18.477 1.00 0.00 C ATOM 598 O ARG A 42 -18.874 -8.490 -19.385 1.00 0.00 O ATOM 599 CB ARG A 42 -20.392 -7.904 -17.022 1.00 0.00 C ATOM 600 CG ARG A 42 -21.745 -8.572 -16.837 1.00 0.00 C ATOM 601 CD ARG A 42 -22.601 -7.824 -15.829 1.00 0.00 C ATOM 602 NE ARG A 42 -23.021 -6.519 -16.329 1.00 0.00 N ATOM 603 CZ ARG A 42 -23.588 -5.585 -15.570 1.00 0.00 C ATOM 604 NH1 ARG A 42 -23.796 -5.811 -14.280 1.00 0.00 N ATOM 605 NH2 ARG A 42 -23.947 -4.426 -16.101 1.00 0.00 N ATOM 0 H ARG A 42 -18.245 -7.594 -15.702 1.00 0.00 H new ATOM 0 HA ARG A 42 -19.480 -9.768 -16.461 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -20.239 -7.185 -16.217 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -20.400 -7.341 -17.955 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -22.264 -8.617 -17.795 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -21.602 -9.600 -16.503 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -23.481 -8.420 -15.588 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -22.041 -7.694 -14.903 1.00 0.00 H new ATOM 0 HE ARG A 42 -22.871 -6.311 -17.316 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -23.521 -6.702 -13.868 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -24.231 -5.093 -13.700 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -23.789 -4.249 -17.093 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -24.382 -3.711 -15.518 1.00 0.00 H new ATOM 619 N SER A 43 -18.747 -10.621 -18.671 1.00 0.00 N ATOM 620 CA SER A 43 -18.463 -11.171 -19.992 1.00 0.00 C ATOM 621 C SER A 43 -19.638 -10.952 -20.940 1.00 0.00 C ATOM 622 O SER A 43 -20.191 -11.906 -21.487 1.00 0.00 O ATOM 623 CB SER A 43 -18.151 -12.665 -19.888 1.00 0.00 C ATOM 624 OG SER A 43 -17.388 -12.947 -18.726 1.00 0.00 O ATOM 0 H SER A 43 -18.791 -11.317 -17.927 1.00 0.00 H new ATOM 0 HA SER A 43 -17.594 -10.650 -20.394 1.00 0.00 H new ATOM 0 HB2 SER A 43 -19.081 -13.233 -19.863 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.604 -12.988 -20.774 1.00 0.00 H new ATOM 0 HG SER A 43 -17.203 -13.908 -18.681 1.00 0.00 H new ATOM 630 N LYS A 44 -20.013 -9.691 -21.131 1.00 0.00 N ATOM 631 CA LYS A 44 -21.124 -9.347 -22.010 1.00 0.00 C ATOM 632 C LYS A 44 -21.064 -7.875 -22.402 1.00 0.00 C ATOM 633 O LYS A 44 -20.686 -7.023 -21.597 1.00 0.00 O ATOM 634 CB LYS A 44 -22.458 -9.643 -21.321 1.00 0.00 C ATOM 635 CG LYS A 44 -22.799 -11.124 -21.263 1.00 0.00 C ATOM 636 CD LYS A 44 -24.201 -11.347 -20.716 1.00 0.00 C ATOM 637 CE LYS A 44 -24.627 -12.801 -20.849 1.00 0.00 C ATOM 638 NZ LYS A 44 -24.925 -13.167 -22.262 1.00 0.00 N ATOM 0 H LYS A 44 -19.563 -8.890 -20.688 1.00 0.00 H new ATOM 0 HA LYS A 44 -21.044 -9.954 -22.912 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -22.429 -9.246 -20.306 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -23.254 -9.116 -21.847 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -22.722 -11.556 -22.261 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -22.074 -11.642 -20.635 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -24.235 -11.051 -19.667 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -24.906 -10.710 -21.250 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -23.837 -13.447 -20.466 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -25.510 -12.978 -20.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.371 -14.106 -22.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -25.572 -12.464 -22.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.041 -13.187 -22.809 1.00 0.00 H new ATOM 652 N LYS A 45 -21.439 -7.580 -23.642 1.00 0.00 N ATOM 653 CA LYS A 45 -21.430 -6.208 -24.133 1.00 0.00 C ATOM 654 C LYS A 45 -22.249 -5.304 -23.218 1.00 0.00 C ATOM 655 O LYS A 45 -22.658 -5.714 -22.131 1.00 0.00 O ATOM 656 CB LYS A 45 -21.984 -6.149 -25.558 1.00 0.00 C ATOM 657 CG LYS A 45 -20.960 -5.717 -26.595 1.00 0.00 C ATOM 658 CD LYS A 45 -21.054 -6.561 -27.857 1.00 0.00 C ATOM 659 CE LYS A 45 -20.398 -7.920 -27.670 1.00 0.00 C ATOM 660 NZ LYS A 45 -21.386 -9.030 -27.750 1.00 0.00 N ATOM 0 H LYS A 45 -21.752 -8.271 -24.324 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.399 -5.855 -24.139 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.370 -7.132 -25.829 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.826 -5.458 -25.582 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.115 -4.668 -26.846 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.958 -5.800 -26.175 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.101 -6.696 -28.128 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.575 -6.036 -28.684 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.632 -8.061 -28.432 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.896 -7.950 -26.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.955 -9.905 -27.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.222 -8.793 -27.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.672 -9.169 -28.740 1.00 0.00 H new ATOM 674 N THR A 46 -22.486 -4.076 -23.663 1.00 0.00 N ATOM 675 CA THR A 46 -23.261 -3.115 -22.886 1.00 0.00 C ATOM 676 C THR A 46 -22.940 -3.224 -21.399 1.00 0.00 C ATOM 677 O THR A 46 -23.805 -3.561 -20.590 1.00 0.00 O ATOM 678 CB THR A 46 -24.757 -3.336 -23.110 1.00 0.00 C ATOM 679 OG1 THR A 46 -25.006 -4.653 -23.571 1.00 0.00 O ATOM 680 CG2 THR A 46 -25.358 -2.376 -24.114 1.00 0.00 C ATOM 0 H THR A 46 -22.152 -3.721 -24.559 1.00 0.00 H new ATOM 0 HA THR A 46 -22.990 -2.115 -23.224 1.00 0.00 H new ATOM 0 HB THR A 46 -25.224 -3.163 -22.141 1.00 0.00 H new ATOM 0 HG1 THR A 46 -25.969 -4.776 -23.707 1.00 0.00 H new ATOM 0 HG21 THR A 46 -26.422 -2.586 -24.227 1.00 0.00 H new ATOM 0 HG22 THR A 46 -25.226 -1.353 -23.763 1.00 0.00 H new ATOM 0 HG23 THR A 46 -24.860 -2.497 -25.076 1.00 0.00 H new ATOM 688 N MET A 47 -21.693 -2.935 -21.045 1.00 0.00 N ATOM 689 CA MET A 47 -21.260 -2.999 -19.653 1.00 0.00 C ATOM 690 C MET A 47 -21.339 -1.625 -18.990 1.00 0.00 C ATOM 691 O MET A 47 -21.339 -0.597 -19.667 1.00 0.00 O ATOM 692 CB MET A 47 -19.832 -3.546 -19.565 1.00 0.00 C ATOM 693 CG MET A 47 -18.848 -2.850 -20.493 1.00 0.00 C ATOM 694 SD MET A 47 -17.762 -4.007 -21.349 1.00 0.00 S ATOM 695 CE MET A 47 -18.927 -4.835 -22.428 1.00 0.00 C ATOM 0 H MET A 47 -20.964 -2.654 -21.701 1.00 0.00 H new ATOM 0 HA MET A 47 -21.931 -3.673 -19.121 1.00 0.00 H new ATOM 0 HB2 MET A 47 -19.479 -3.449 -18.538 1.00 0.00 H new ATOM 0 HB3 MET A 47 -19.846 -4.611 -19.798 1.00 0.00 H new ATOM 0 HG2 MET A 47 -19.400 -2.264 -21.228 1.00 0.00 H new ATOM 0 HG3 MET A 47 -18.244 -2.150 -19.916 1.00 0.00 H new ATOM 0 HE1 MET A 47 -18.672 -5.893 -22.495 1.00 0.00 H new ATOM 0 HE2 MET A 47 -19.934 -4.729 -22.025 1.00 0.00 H new ATOM 0 HE3 MET A 47 -18.885 -4.388 -23.421 1.00 0.00 H new ATOM 705 N LEU A 48 -21.414 -1.617 -17.661 1.00 0.00 N ATOM 706 CA LEU A 48 -21.501 -0.371 -16.905 1.00 0.00 C ATOM 707 C LEU A 48 -20.255 -0.156 -16.048 1.00 0.00 C ATOM 708 O LEU A 48 -19.384 -1.022 -15.971 1.00 0.00 O ATOM 709 CB LEU A 48 -22.747 -0.379 -16.019 1.00 0.00 C ATOM 710 CG LEU A 48 -23.538 0.928 -16.005 1.00 0.00 C ATOM 711 CD1 LEU A 48 -24.667 0.884 -17.024 1.00 0.00 C ATOM 712 CD2 LEU A 48 -24.085 1.199 -14.612 1.00 0.00 C ATOM 0 H LEU A 48 -21.416 -2.459 -17.086 1.00 0.00 H new ATOM 0 HA LEU A 48 -21.570 0.451 -17.618 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -23.406 -1.181 -16.352 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -22.447 -0.616 -14.998 1.00 0.00 H new ATOM 0 HG LEU A 48 -22.866 1.741 -16.278 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -25.218 1.824 -16.998 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -24.252 0.734 -18.021 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -25.341 0.062 -16.785 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -24.646 2.133 -14.617 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -24.742 0.382 -14.314 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -23.259 1.276 -13.905 1.00 0.00 H new ATOM 724 N VAL A 49 -20.177 1.009 -15.405 1.00 0.00 N ATOM 725 CA VAL A 49 -19.038 1.342 -14.554 1.00 0.00 C ATOM 726 C VAL A 49 -19.481 2.143 -13.332 1.00 0.00 C ATOM 727 O VAL A 49 -20.540 2.771 -13.339 1.00 0.00 O ATOM 728 CB VAL A 49 -17.974 2.148 -15.334 1.00 0.00 C ATOM 729 CG1 VAL A 49 -17.258 3.138 -14.424 1.00 0.00 C ATOM 730 CG2 VAL A 49 -16.979 1.209 -15.998 1.00 0.00 C ATOM 0 H VAL A 49 -20.890 1.737 -15.458 1.00 0.00 H new ATOM 0 HA VAL A 49 -18.599 0.401 -14.224 1.00 0.00 H new ATOM 0 HB VAL A 49 -18.483 2.719 -16.111 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.516 3.690 -15.000 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -17.983 3.835 -14.003 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.763 2.598 -13.617 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.237 1.792 -16.543 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -16.481 0.609 -15.236 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.505 0.552 -16.691 1.00 0.00 H new ATOM 740 N GLN A 50 -18.662 2.119 -12.285 1.00 0.00 N ATOM 741 CA GLN A 50 -18.971 2.847 -11.059 1.00 0.00 C ATOM 742 C GLN A 50 -20.124 2.187 -10.309 1.00 0.00 C ATOM 743 O GLN A 50 -21.200 1.981 -10.869 1.00 0.00 O ATOM 744 CB GLN A 50 -19.319 4.303 -11.388 1.00 0.00 C ATOM 745 CG GLN A 50 -20.561 4.817 -10.678 1.00 0.00 C ATOM 746 CD GLN A 50 -20.947 6.214 -11.122 1.00 0.00 C ATOM 747 OE1 GLN A 50 -21.874 6.393 -11.912 1.00 0.00 O ATOM 748 NE2 GLN A 50 -20.234 7.214 -10.615 1.00 0.00 N ATOM 0 H GLN A 50 -17.781 1.605 -12.261 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.091 2.826 -10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -18.473 4.937 -11.123 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -19.463 4.397 -12.464 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -21.391 4.137 -10.867 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -20.387 4.816 -9.602 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -19.474 7.019 -9.963 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -20.447 8.176 -10.878 1.00 0.00 H new ATOM 757 N LYS A 51 -19.895 1.862 -9.040 1.00 0.00 N ATOM 758 CA LYS A 51 -20.921 1.229 -8.219 1.00 0.00 C ATOM 759 C LYS A 51 -20.348 0.763 -6.882 1.00 0.00 C ATOM 760 O LYS A 51 -19.483 -0.111 -6.837 1.00 0.00 O ATOM 761 CB LYS A 51 -21.537 0.041 -8.961 1.00 0.00 C ATOM 762 CG LYS A 51 -23.052 -0.017 -8.863 1.00 0.00 C ATOM 763 CD LYS A 51 -23.716 0.660 -10.051 1.00 0.00 C ATOM 764 CE LYS A 51 -25.232 0.580 -9.963 1.00 0.00 C ATOM 765 NZ LYS A 51 -25.780 1.508 -8.935 1.00 0.00 N ATOM 0 H LYS A 51 -19.010 2.026 -8.559 1.00 0.00 H new ATOM 0 HA LYS A 51 -21.695 1.970 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.251 0.091 -10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.120 -0.883 -8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -23.374 -1.057 -8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.376 0.465 -7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.408 1.705 -10.095 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.379 0.189 -10.974 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -25.665 0.819 -10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -25.528 -0.441 -9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -26.816 1.422 -8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -25.387 1.265 -8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.520 2.486 -9.176 1.00 0.00 H new ATOM 779 N ASN A 52 -20.842 1.350 -5.795 1.00 0.00 N ATOM 780 CA ASN A 52 -20.386 0.991 -4.456 1.00 0.00 C ATOM 781 C ASN A 52 -21.428 1.369 -3.407 1.00 0.00 C ATOM 782 O ASN A 52 -22.583 1.641 -3.737 1.00 0.00 O ATOM 783 CB ASN A 52 -19.055 1.679 -4.140 1.00 0.00 C ATOM 784 CG ASN A 52 -18.167 0.835 -3.247 1.00 0.00 C ATOM 785 OD1 ASN A 52 -18.048 -0.448 -3.570 1.00 0.00 O flip ATOM 786 ND2 ASN A 52 -17.593 1.330 -2.277 1.00 0.00 N flip ATOM 0 H ASN A 52 -21.558 2.076 -5.816 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.242 -0.089 -4.429 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.530 1.894 -5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.249 2.636 -3.655 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.712 2.321 -2.065 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.998 0.750 -1.686 1.00 0.00 H new ATOM 793 N VAL A 53 -21.016 1.382 -2.142 1.00 0.00 N ATOM 794 CA VAL A 53 -21.920 1.726 -1.051 1.00 0.00 C ATOM 795 C VAL A 53 -21.182 2.416 0.091 1.00 0.00 C ATOM 796 O VAL A 53 -20.492 1.768 0.879 1.00 0.00 O ATOM 797 CB VAL A 53 -22.646 0.482 -0.498 1.00 0.00 C ATOM 798 CG1 VAL A 53 -24.153 0.649 -0.615 1.00 0.00 C ATOM 799 CG2 VAL A 53 -22.185 -0.777 -1.220 1.00 0.00 C ATOM 0 H VAL A 53 -20.065 1.159 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 53 -22.657 2.412 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 53 -22.393 0.378 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -24.649 -0.238 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -24.467 1.524 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -24.424 0.780 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -22.710 -1.642 -0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -22.403 -0.687 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -21.112 -0.905 -1.079 1.00 0.00 H new ATOM 809 N THR A 54 -21.337 3.734 0.178 1.00 0.00 N ATOM 810 CA THR A 54 -20.692 4.514 1.228 1.00 0.00 C ATOM 811 C THR A 54 -19.182 4.302 1.220 1.00 0.00 C ATOM 812 O THR A 54 -18.703 3.172 1.312 1.00 0.00 O ATOM 813 CB THR A 54 -21.264 4.137 2.594 1.00 0.00 C ATOM 814 OG1 THR A 54 -22.679 4.086 2.549 1.00 0.00 O ATOM 815 CG2 THR A 54 -20.875 5.102 3.694 1.00 0.00 C ATOM 0 H THR A 54 -21.904 4.284 -0.467 1.00 0.00 H new ATOM 0 HA THR A 54 -20.891 5.568 1.035 1.00 0.00 H new ATOM 0 HB THR A 54 -20.840 3.159 2.824 1.00 0.00 H new ATOM 0 HG1 THR A 54 -23.026 3.841 3.432 1.00 0.00 H new ATOM 0 HG21 THR A 54 -21.314 4.775 4.637 1.00 0.00 H new ATOM 0 HG22 THR A 54 -19.789 5.127 3.789 1.00 0.00 H new ATOM 0 HG23 THR A 54 -21.241 6.099 3.449 1.00 0.00 H new ATOM 823 N SER A 55 -18.439 5.397 1.113 1.00 0.00 N ATOM 824 CA SER A 55 -16.983 5.335 1.095 1.00 0.00 C ATOM 825 C SER A 55 -16.383 6.719 0.869 1.00 0.00 C ATOM 826 O SER A 55 -17.080 7.652 0.470 1.00 0.00 O ATOM 827 CB SER A 55 -16.504 4.375 0.005 1.00 0.00 C ATOM 828 OG SER A 55 -17.594 3.873 -0.749 1.00 0.00 O ATOM 0 H SER A 55 -18.822 6.340 1.037 1.00 0.00 H new ATOM 0 HA SER A 55 -16.649 4.967 2.065 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.807 4.890 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.960 3.547 0.459 1.00 0.00 H new ATOM 0 HG SER A 55 -18.038 3.158 -0.246 1.00 0.00 H new ATOM 834 N GLU A 56 -15.085 6.843 1.126 1.00 0.00 N ATOM 835 CA GLU A 56 -14.389 8.111 0.951 1.00 0.00 C ATOM 836 C GLU A 56 -13.262 7.974 -0.066 1.00 0.00 C ATOM 837 O GLU A 56 -13.239 8.672 -1.078 1.00 0.00 O ATOM 838 CB GLU A 56 -13.829 8.599 2.289 1.00 0.00 C ATOM 839 CG GLU A 56 -14.332 9.974 2.694 1.00 0.00 C ATOM 840 CD GLU A 56 -15.416 9.912 3.751 1.00 0.00 C ATOM 841 OE1 GLU A 56 -16.494 9.349 3.463 1.00 0.00 O ATOM 842 OE2 GLU A 56 -15.188 10.424 4.866 1.00 0.00 O ATOM 0 H GLU A 56 -14.494 6.080 1.456 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.105 8.843 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.092 7.882 3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.741 8.622 2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.497 10.566 3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.717 10.489 1.814 1.00 0.00 H new ATOM 849 N SER A 57 -12.332 7.067 0.211 1.00 0.00 N ATOM 850 CA SER A 57 -11.201 6.836 -0.680 1.00 0.00 C ATOM 851 C SER A 57 -10.028 6.218 0.072 1.00 0.00 C ATOM 852 O SER A 57 -9.157 5.589 -0.528 1.00 0.00 O ATOM 853 CB SER A 57 -10.763 8.146 -1.334 1.00 0.00 C ATOM 854 OG SER A 57 -11.452 8.364 -2.553 1.00 0.00 O ATOM 0 H SER A 57 -12.339 6.480 1.045 1.00 0.00 H new ATOM 0 HA SER A 57 -11.522 6.138 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.951 8.976 -0.653 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.689 8.122 -1.519 1.00 0.00 H new ATOM 0 HG SER A 57 -12.416 8.272 -2.405 1.00 0.00 H new ATOM 860 N THR A 58 -10.009 6.404 1.388 1.00 0.00 N ATOM 861 CA THR A 58 -8.937 5.866 2.218 1.00 0.00 C ATOM 862 C THR A 58 -7.573 6.197 1.622 1.00 0.00 C ATOM 863 O THR A 58 -7.481 6.811 0.559 1.00 0.00 O ATOM 864 CB THR A 58 -9.086 4.351 2.364 1.00 0.00 C ATOM 865 OG1 THR A 58 -9.320 3.747 1.105 1.00 0.00 O ATOM 866 CG2 THR A 58 -10.217 3.949 3.285 1.00 0.00 C ATOM 0 H THR A 58 -10.722 6.922 1.902 1.00 0.00 H new ATOM 0 HA THR A 58 -9.008 6.327 3.203 1.00 0.00 H new ATOM 0 HB THR A 58 -8.147 4.007 2.797 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.771 4.188 0.424 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.269 2.862 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.040 4.359 4.279 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.159 4.336 2.895 1.00 0.00 H new ATOM 874 N CYS A 59 -6.514 5.783 2.310 1.00 0.00 N ATOM 875 CA CYS A 59 -5.156 6.035 1.842 1.00 0.00 C ATOM 876 C CYS A 59 -4.144 5.867 2.971 1.00 0.00 C ATOM 877 O CYS A 59 -4.409 6.235 4.115 1.00 0.00 O ATOM 878 CB CYS A 59 -5.054 7.439 1.249 1.00 0.00 C ATOM 879 SG CYS A 59 -5.918 8.712 2.224 1.00 0.00 S ATOM 0 H CYS A 59 -6.570 5.273 3.191 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.925 5.303 1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.002 7.712 1.163 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.464 7.428 0.239 1.00 0.00 H new ATOM 884 N CYS A 60 -2.985 5.304 2.639 1.00 0.00 N ATOM 885 CA CYS A 60 -1.931 5.079 3.622 1.00 0.00 C ATOM 886 C CYS A 60 -0.621 5.729 3.187 1.00 0.00 C ATOM 887 O CYS A 60 0.200 5.103 2.515 1.00 0.00 O ATOM 888 CB CYS A 60 -1.714 3.580 3.831 1.00 0.00 C ATOM 889 SG CYS A 60 -2.775 2.518 2.797 1.00 0.00 S ATOM 0 H CYS A 60 -2.753 4.995 1.695 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.248 5.535 4.560 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.670 3.343 3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.893 3.341 4.879 1.00 0.00 H new ATOM 894 N VAL A 61 -0.424 6.983 3.579 1.00 0.00 N ATOM 895 CA VAL A 61 0.793 7.710 3.231 1.00 0.00 C ATOM 896 C VAL A 61 1.957 7.270 4.110 1.00 0.00 C ATOM 897 O VAL A 61 2.495 8.060 4.886 1.00 0.00 O ATOM 898 CB VAL A 61 0.602 9.231 3.377 1.00 0.00 C ATOM 899 CG1 VAL A 61 -0.108 9.798 2.158 1.00 0.00 C ATOM 900 CG2 VAL A 61 -0.166 9.551 4.650 1.00 0.00 C ATOM 0 H VAL A 61 -1.090 7.517 4.137 1.00 0.00 H new ATOM 0 HA VAL A 61 1.015 7.480 2.189 1.00 0.00 H new ATOM 0 HB VAL A 61 1.584 9.699 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.235 10.874 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.486 9.600 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.086 9.327 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.292 10.630 4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.145 9.073 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.388 9.179 5.512 1.00 0.00 H new ATOM 910 N ALA A 62 2.338 6.001 3.980 1.00 0.00 N ATOM 911 CA ALA A 62 3.439 5.433 4.756 1.00 0.00 C ATOM 912 C ALA A 62 3.650 6.148 6.064 1.00 0.00 C ATOM 913 O ALA A 62 4.201 7.248 6.125 1.00 0.00 O ATOM 914 CB ALA A 62 4.726 5.421 3.951 1.00 0.00 C ATOM 0 H ALA A 62 1.896 5.342 3.339 1.00 0.00 H new ATOM 0 HA ALA A 62 3.157 4.406 4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.528 4.993 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.587 4.820 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.988 6.441 3.669 1.00 0.00 H new ATOM 920 N LYS A 63 3.254 5.461 7.112 1.00 0.00 N ATOM 921 CA LYS A 63 3.428 5.945 8.454 1.00 0.00 C ATOM 922 C LYS A 63 4.852 6.383 8.599 1.00 0.00 C ATOM 923 O LYS A 63 5.159 7.466 9.095 1.00 0.00 O ATOM 924 CB LYS A 63 3.191 4.826 9.445 1.00 0.00 C ATOM 925 CG LYS A 63 2.603 3.581 8.844 1.00 0.00 C ATOM 926 CD LYS A 63 1.424 3.065 9.649 1.00 0.00 C ATOM 927 CE LYS A 63 1.570 1.588 9.974 1.00 0.00 C ATOM 928 NZ LYS A 63 0.263 0.878 9.910 1.00 0.00 N ATOM 0 H LYS A 63 2.801 4.549 7.052 1.00 0.00 H new ATOM 0 HA LYS A 63 2.728 6.759 8.643 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.138 4.573 9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.525 5.186 10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.283 3.787 7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.370 2.808 8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.338 3.635 10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.503 3.225 9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.268 1.129 9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.997 1.475 10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.348 -0.048 10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.463 1.443 10.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.010 0.742 8.916 1.00 0.00 H new ATOM 942 N SER A 64 5.717 5.502 8.132 1.00 0.00 N ATOM 943 CA SER A 64 7.125 5.743 8.166 1.00 0.00 C ATOM 944 C SER A 64 7.704 5.515 6.785 1.00 0.00 C ATOM 945 O SER A 64 7.114 4.807 5.969 1.00 0.00 O ATOM 946 CB SER A 64 7.811 4.861 9.210 1.00 0.00 C ATOM 947 OG SER A 64 7.206 3.582 9.275 1.00 0.00 O ATOM 0 H SER A 64 5.453 4.606 7.722 1.00 0.00 H new ATOM 0 HA SER A 64 7.303 6.778 8.458 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.867 4.755 8.963 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.759 5.341 10.187 1.00 0.00 H new ATOM 0 HG SER A 64 7.765 2.931 8.801 1.00 0.00 H new ATOM 953 N TYR A 65 8.836 6.130 6.503 1.00 0.00 N ATOM 954 CA TYR A 65 9.437 5.994 5.192 1.00 0.00 C ATOM 955 C TYR A 65 10.940 5.893 5.256 1.00 0.00 C ATOM 956 O TYR A 65 11.573 6.309 6.225 1.00 0.00 O ATOM 957 CB TYR A 65 9.064 7.189 4.329 1.00 0.00 C ATOM 958 CG TYR A 65 9.102 8.513 5.063 1.00 0.00 C ATOM 959 CD1 TYR A 65 8.336 8.727 6.203 1.00 0.00 C ATOM 960 CD2 TYR A 65 9.914 9.549 4.615 1.00 0.00 C ATOM 961 CE1 TYR A 65 8.378 9.935 6.875 1.00 0.00 C ATOM 962 CE2 TYR A 65 9.958 10.760 5.281 1.00 0.00 C ATOM 963 CZ TYR A 65 9.190 10.947 6.411 1.00 0.00 C ATOM 964 OH TYR A 65 9.235 12.150 7.078 1.00 0.00 O ATOM 0 H TYR A 65 9.352 6.721 7.155 1.00 0.00 H new ATOM 0 HA TYR A 65 9.054 5.069 4.760 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.744 7.237 3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.062 7.036 3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.698 7.937 6.570 1.00 0.00 H new ATOM 0 HD2 TYR A 65 10.520 9.406 3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.777 10.085 7.760 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.591 11.556 4.918 1.00 0.00 H new ATOM 0 HH TYR A 65 9.857 12.754 6.621 1.00 0.00 H new ATOM 974 N ASN A 66 11.507 5.380 4.179 1.00 0.00 N ATOM 975 CA ASN A 66 12.951 5.272 4.071 1.00 0.00 C ATOM 976 C ASN A 66 13.361 5.908 2.770 1.00 0.00 C ATOM 977 O ASN A 66 14.362 5.559 2.146 1.00 0.00 O ATOM 978 CB ASN A 66 13.411 3.823 4.146 1.00 0.00 C ATOM 979 CG ASN A 66 14.341 3.567 5.315 1.00 0.00 C ATOM 980 OD1 ASN A 66 13.900 3.210 6.408 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.636 3.751 5.091 1.00 0.00 N ATOM 0 H ASN A 66 10.992 5.033 3.370 1.00 0.00 H new ATOM 0 HA ASN A 66 13.425 5.786 4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.540 3.173 4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.918 3.558 3.218 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.310 3.596 5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.957 4.047 4.169 1.00 0.00 H new ATOM 988 N ARG A 67 12.529 6.853 2.398 1.00 0.00 N ATOM 989 CA ARG A 67 12.674 7.630 1.181 1.00 0.00 C ATOM 990 C ARG A 67 14.011 7.383 0.503 1.00 0.00 C ATOM 991 O ARG A 67 15.074 7.521 1.109 1.00 0.00 O ATOM 992 CB ARG A 67 12.510 9.108 1.500 1.00 0.00 C ATOM 993 CG ARG A 67 11.623 9.857 0.524 1.00 0.00 C ATOM 994 CD ARG A 67 12.273 11.155 0.071 1.00 0.00 C ATOM 995 NE ARG A 67 12.221 12.179 1.110 1.00 0.00 N ATOM 996 CZ ARG A 67 13.095 13.174 1.213 1.00 0.00 C ATOM 997 NH1 ARG A 67 14.089 13.285 0.340 1.00 0.00 N ATOM 998 NH2 ARG A 67 12.976 14.059 2.192 1.00 0.00 N ATOM 0 H ARG A 67 11.709 7.112 2.946 1.00 0.00 H new ATOM 0 HA ARG A 67 11.897 7.314 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.095 9.208 2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.494 9.577 1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.420 9.228 -0.343 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.663 10.073 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.311 10.966 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.770 11.520 -0.825 1.00 0.00 H new ATOM 0 HE ARG A 67 11.469 12.127 1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.184 12.605 -0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.758 14.051 0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.214 13.976 2.865 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.646 14.824 2.273 1.00 0.00 H new ATOM 1012 N VAL A 68 13.935 7.026 -0.766 1.00 0.00 N ATOM 1013 CA VAL A 68 15.119 6.762 -1.568 1.00 0.00 C ATOM 1014 C VAL A 68 15.053 7.536 -2.870 1.00 0.00 C ATOM 1015 O VAL A 68 15.363 7.009 -3.937 1.00 0.00 O ATOM 1016 CB VAL A 68 15.279 5.257 -1.879 1.00 0.00 C ATOM 1017 CG1 VAL A 68 15.033 4.413 -0.638 1.00 0.00 C ATOM 1018 CG2 VAL A 68 14.340 4.834 -3.002 1.00 0.00 C ATOM 0 H VAL A 68 13.055 6.911 -1.270 1.00 0.00 H new ATOM 0 HA VAL A 68 15.982 7.085 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 68 16.306 5.092 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.152 3.358 -0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.750 4.687 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.021 4.588 -0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.470 3.771 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.309 5.023 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.569 5.405 -3.902 1.00 0.00 H new ATOM 1028 N THR A 69 14.635 8.790 -2.761 1.00 0.00 N ATOM 1029 CA THR A 69 14.500 9.666 -3.918 1.00 0.00 C ATOM 1030 C THR A 69 15.250 9.109 -5.118 1.00 0.00 C ATOM 1031 O THR A 69 16.467 8.927 -5.080 1.00 0.00 O ATOM 1032 CB THR A 69 15.007 11.068 -3.605 1.00 0.00 C ATOM 1033 OG1 THR A 69 14.205 11.688 -2.617 1.00 0.00 O ATOM 1034 CG2 THR A 69 15.028 11.967 -4.821 1.00 0.00 C ATOM 0 H THR A 69 14.381 9.227 -1.875 1.00 0.00 H new ATOM 0 HA THR A 69 13.439 9.720 -4.161 1.00 0.00 H new ATOM 0 HB THR A 69 16.028 10.939 -3.246 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.275 11.722 -2.924 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.398 12.953 -4.538 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.682 11.538 -5.580 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.019 12.060 -5.223 1.00 0.00 H new ATOM 1042 N VAL A 70 14.508 8.834 -6.177 1.00 0.00 N ATOM 1043 CA VAL A 70 15.086 8.287 -7.395 1.00 0.00 C ATOM 1044 C VAL A 70 14.736 9.124 -8.612 1.00 0.00 C ATOM 1045 O VAL A 70 14.217 10.234 -8.500 1.00 0.00 O ATOM 1046 CB VAL A 70 14.625 6.843 -7.649 1.00 0.00 C ATOM 1047 CG1 VAL A 70 15.817 5.968 -7.995 1.00 0.00 C ATOM 1048 CG2 VAL A 70 13.878 6.289 -6.444 1.00 0.00 C ATOM 0 H VAL A 70 13.500 8.981 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 70 16.165 8.301 -7.244 1.00 0.00 H new ATOM 0 HB VAL A 70 13.936 6.844 -8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.479 4.947 -8.173 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.302 6.352 -8.893 1.00 0.00 H new ATOM 0 HG13 VAL A 70 16.527 5.976 -7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 70 13.563 5.266 -6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 70 14.534 6.298 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.002 6.905 -6.244 1.00 0.00 H new ATOM 1058 N MET A 71 15.036 8.571 -9.775 1.00 0.00 N ATOM 1059 CA MET A 71 14.775 9.237 -11.043 1.00 0.00 C ATOM 1060 C MET A 71 15.135 10.712 -10.964 1.00 0.00 C ATOM 1061 O MET A 71 16.184 11.080 -10.435 1.00 0.00 O ATOM 1062 CB MET A 71 13.308 9.083 -11.447 1.00 0.00 C ATOM 1063 CG MET A 71 12.664 7.812 -10.942 1.00 0.00 C ATOM 1064 SD MET A 71 12.424 6.586 -12.244 1.00 0.00 S ATOM 1065 CE MET A 71 14.013 6.641 -13.068 1.00 0.00 C ATOM 0 H MET A 71 15.466 7.651 -9.869 1.00 0.00 H new ATOM 0 HA MET A 71 15.399 8.763 -11.800 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.746 9.938 -11.071 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.236 9.108 -12.534 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.285 7.383 -10.155 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.700 8.052 -10.493 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.126 5.760 -13.699 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.073 7.539 -13.684 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.809 6.658 -12.323 1.00 0.00 H new ATOM 1075 N GLY A 72 14.257 11.555 -11.492 1.00 0.00 N ATOM 1076 CA GLY A 72 14.495 12.978 -11.472 1.00 0.00 C ATOM 1077 C GLY A 72 14.183 13.604 -10.126 1.00 0.00 C ATOM 1078 O GLY A 72 13.955 14.811 -10.033 1.00 0.00 O ATOM 0 H GLY A 72 13.382 11.273 -11.934 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.537 13.172 -11.725 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.886 13.455 -12.240 1.00 0.00 H new ATOM 1082 N GLY A 73 14.172 12.783 -9.080 1.00 0.00 N ATOM 1083 CA GLY A 73 13.885 13.279 -7.750 1.00 0.00 C ATOM 1084 C GLY A 73 12.595 12.711 -7.190 1.00 0.00 C ATOM 1085 O GLY A 73 11.817 13.429 -6.561 1.00 0.00 O ATOM 0 H GLY A 73 14.357 11.781 -9.132 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.710 13.026 -7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.819 14.367 -7.777 1.00 0.00 H new ATOM 1089 N PHE A 74 12.366 11.419 -7.416 1.00 0.00 N ATOM 1090 CA PHE A 74 11.161 10.761 -6.925 1.00 0.00 C ATOM 1091 C PHE A 74 11.211 10.626 -5.410 1.00 0.00 C ATOM 1092 O PHE A 74 12.135 11.124 -4.767 1.00 0.00 O ATOM 1093 CB PHE A 74 10.996 9.387 -7.579 1.00 0.00 C ATOM 1094 CG PHE A 74 10.397 9.451 -8.956 1.00 0.00 C ATOM 1095 CD1 PHE A 74 10.797 10.427 -9.854 1.00 0.00 C ATOM 1096 CD2 PHE A 74 9.429 8.541 -9.351 1.00 0.00 C ATOM 1097 CE1 PHE A 74 10.246 10.495 -11.120 1.00 0.00 C ATOM 1098 CE2 PHE A 74 8.873 8.603 -10.616 1.00 0.00 C ATOM 1099 CZ PHE A 74 9.283 9.581 -11.501 1.00 0.00 C ATOM 0 H PHE A 74 12.998 10.810 -7.935 1.00 0.00 H new ATOM 0 HA PHE A 74 10.300 11.374 -7.190 1.00 0.00 H new ATOM 0 HB2 PHE A 74 11.970 8.901 -7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.365 8.764 -6.945 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.549 11.144 -9.561 1.00 0.00 H new ATOM 0 HD2 PHE A 74 9.105 7.774 -8.663 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.568 11.261 -11.810 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.119 7.888 -10.911 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.851 9.631 -12.490 1.00 0.00 H new ATOM 1109 N LYS A 75 10.212 9.964 -4.841 1.00 0.00 N ATOM 1110 CA LYS A 75 10.157 9.785 -3.396 1.00 0.00 C ATOM 1111 C LYS A 75 9.243 8.627 -2.993 1.00 0.00 C ATOM 1112 O LYS A 75 8.038 8.811 -2.823 1.00 0.00 O ATOM 1113 CB LYS A 75 9.668 11.070 -2.723 1.00 0.00 C ATOM 1114 CG LYS A 75 9.535 12.245 -3.676 1.00 0.00 C ATOM 1115 CD LYS A 75 8.492 11.972 -4.746 1.00 0.00 C ATOM 1116 CE LYS A 75 7.382 13.008 -4.716 1.00 0.00 C ATOM 1117 NZ LYS A 75 7.165 13.629 -6.051 1.00 0.00 N ATOM 0 H LYS A 75 9.435 9.545 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 75 11.168 9.549 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.701 10.880 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.360 11.338 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.261 13.140 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.498 12.446 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.966 11.973 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.068 10.979 -4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.457 12.539 -4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.629 13.783 -3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.399 14.330 -5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.039 14.098 -6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.904 12.893 -6.738 1.00 0.00 H new ATOM 1131 N VAL A 76 9.825 7.447 -2.806 1.00 0.00 N ATOM 1132 CA VAL A 76 9.063 6.273 -2.377 1.00 0.00 C ATOM 1133 C VAL A 76 9.032 6.229 -0.887 1.00 0.00 C ATOM 1134 O VAL A 76 8.683 5.211 -0.288 1.00 0.00 O ATOM 1135 CB VAL A 76 9.718 4.955 -2.852 1.00 0.00 C ATOM 1136 CG1 VAL A 76 9.683 4.862 -4.369 1.00 0.00 C ATOM 1137 CG2 VAL A 76 11.152 4.956 -2.339 1.00 0.00 C ATOM 0 H VAL A 76 10.821 7.275 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 76 8.066 6.359 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 76 9.178 4.091 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.148 3.929 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.648 4.887 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.228 5.703 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.652 4.040 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.683 5.817 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.149 5.012 -1.250 1.00 0.00 H new ATOM 1147 N GLU A 77 9.452 7.328 -0.299 1.00 0.00 N ATOM 1148 CA GLU A 77 9.544 7.408 1.151 1.00 0.00 C ATOM 1149 C GLU A 77 9.761 5.989 1.616 1.00 0.00 C ATOM 1150 O GLU A 77 9.112 5.504 2.539 1.00 0.00 O ATOM 1151 CB GLU A 77 8.263 7.994 1.752 1.00 0.00 C ATOM 1152 CG GLU A 77 7.288 8.524 0.713 1.00 0.00 C ATOM 1153 CD GLU A 77 7.637 9.922 0.244 1.00 0.00 C ATOM 1154 OE1 GLU A 77 8.502 10.562 0.876 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.045 10.376 -0.758 1.00 0.00 O ATOM 0 H GLU A 77 9.734 8.174 -0.793 1.00 0.00 H new ATOM 0 HA GLU A 77 10.354 8.065 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.766 7.226 2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.528 8.802 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.275 7.850 -0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.282 8.526 1.132 1.00 0.00 H new ATOM 1162 N ASN A 78 10.633 5.311 0.859 1.00 0.00 N ATOM 1163 CA ASN A 78 10.908 3.904 1.043 1.00 0.00 C ATOM 1164 C ASN A 78 10.100 3.406 2.209 1.00 0.00 C ATOM 1165 O ASN A 78 10.615 3.096 3.284 1.00 0.00 O ATOM 1166 CB ASN A 78 12.378 3.582 1.206 1.00 0.00 C ATOM 1167 CG ASN A 78 12.545 2.096 1.063 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.056 1.506 0.099 1.00 0.00 O ATOM 1169 ND2 ASN A 78 13.222 1.474 2.000 1.00 0.00 N ATOM 0 H ASN A 78 11.164 5.738 0.100 1.00 0.00 H new ATOM 0 HA ASN A 78 10.614 3.385 0.130 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.969 4.106 0.455 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.735 3.914 2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.611 2.000 2.783 1.00 0.00 H new ATOM 1174 N HIS A 79 8.810 3.413 1.972 1.00 0.00 N ATOM 1175 CA HIS A 79 7.825 3.052 2.956 1.00 0.00 C ATOM 1176 C HIS A 79 8.268 1.967 3.899 1.00 0.00 C ATOM 1177 O HIS A 79 8.604 0.853 3.511 1.00 0.00 O ATOM 1178 CB HIS A 79 6.522 2.675 2.275 1.00 0.00 C ATOM 1179 CG HIS A 79 5.952 3.833 1.550 1.00 0.00 C ATOM 1180 ND1 HIS A 79 4.752 3.831 0.889 1.00 0.00 N ATOM 1181 CD2 HIS A 79 6.472 5.065 1.399 1.00 0.00 C ATOM 1182 CE1 HIS A 79 4.579 5.048 0.356 1.00 0.00 C ATOM 1183 NE2 HIS A 79 5.600 5.840 0.638 1.00 0.00 N ATOM 0 H HIS A 79 8.411 3.675 1.071 1.00 0.00 H new ATOM 0 HA HIS A 79 7.677 3.935 3.578 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.695 1.854 1.579 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.808 2.318 3.018 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.416 5.400 1.804 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.719 5.343 -0.227 1.00 0.00 H new ATOM 0 HE2 HIS A 79 5.723 6.813 0.357 1.00 0.00 H new ATOM 1191 N THR A 80 8.229 2.322 5.157 1.00 0.00 N ATOM 1192 CA THR A 80 8.584 1.405 6.219 1.00 0.00 C ATOM 1193 C THR A 80 7.323 0.977 6.966 1.00 0.00 C ATOM 1194 O THR A 80 7.207 -0.172 7.395 1.00 0.00 O ATOM 1195 CB THR A 80 9.612 2.051 7.138 1.00 0.00 C ATOM 1196 OG1 THR A 80 8.994 2.944 8.043 1.00 0.00 O ATOM 1197 CG2 THR A 80 10.663 2.819 6.363 1.00 0.00 C ATOM 0 H THR A 80 7.952 3.250 5.478 1.00 0.00 H new ATOM 0 HA THR A 80 9.042 0.507 5.804 1.00 0.00 H new ATOM 0 HB THR A 80 10.090 1.235 7.680 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.453 2.903 8.908 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.376 3.263 7.058 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.187 2.140 5.690 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.183 3.607 5.782 1.00 0.00 H new ATOM 1205 N ALA A 81 6.359 1.895 7.082 1.00 0.00 N ATOM 1206 CA ALA A 81 5.099 1.607 7.723 1.00 0.00 C ATOM 1207 C ALA A 81 4.000 2.347 6.967 1.00 0.00 C ATOM 1208 O ALA A 81 4.225 3.457 6.490 1.00 0.00 O ATOM 1209 CB ALA A 81 5.146 2.016 9.188 1.00 0.00 C ATOM 0 H ALA A 81 6.441 2.850 6.732 1.00 0.00 H new ATOM 0 HA ALA A 81 4.893 0.537 7.697 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.189 1.793 9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.937 1.464 9.695 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.346 3.085 9.261 1.00 0.00 H new ATOM 1215 N CYS A 82 2.824 1.743 6.837 1.00 0.00 N ATOM 1216 CA CYS A 82 1.730 2.387 6.112 1.00 0.00 C ATOM 1217 C CYS A 82 0.434 2.389 6.919 1.00 0.00 C ATOM 1218 O CYS A 82 0.004 1.350 7.421 1.00 0.00 O ATOM 1219 CB CYS A 82 1.505 1.692 4.766 1.00 0.00 C ATOM 1220 SG CYS A 82 2.315 2.521 3.356 1.00 0.00 S ATOM 0 H CYS A 82 2.603 0.822 7.217 1.00 0.00 H new ATOM 0 HA CYS A 82 2.018 3.425 5.943 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.873 0.668 4.832 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.434 1.634 4.573 1.00 0.00 H new ATOM 1225 N HIS A 83 -0.195 3.561 7.029 1.00 0.00 N ATOM 1226 CA HIS A 83 -1.452 3.687 7.763 1.00 0.00 C ATOM 1227 C HIS A 83 -2.567 4.190 6.857 1.00 0.00 C ATOM 1228 O HIS A 83 -2.615 5.367 6.503 1.00 0.00 O ATOM 1229 CB HIS A 83 -1.312 4.628 8.956 1.00 0.00 C ATOM 1230 CG HIS A 83 -1.238 6.076 8.583 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -1.778 7.079 9.358 1.00 0.00 N ATOM 1232 CD2 HIS A 83 -0.681 6.689 7.512 1.00 0.00 C ATOM 1233 CE1 HIS A 83 -1.558 8.246 8.782 1.00 0.00 C ATOM 1234 NE2 HIS A 83 -0.893 8.039 7.660 1.00 0.00 N ATOM 0 H HIS A 83 0.145 4.432 6.621 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.706 2.692 8.128 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.159 4.478 9.625 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.414 4.360 9.514 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -2.271 6.941 10.240 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.166 6.207 6.694 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.869 9.207 9.164 1.00 0.00 H new ATOM 1243 N CYS A 84 -3.464 3.288 6.494 1.00 0.00 N ATOM 1244 CA CYS A 84 -4.591 3.628 5.630 1.00 0.00 C ATOM 1245 C CYS A 84 -5.712 4.272 6.439 1.00 0.00 C ATOM 1246 O CYS A 84 -5.958 3.894 7.585 1.00 0.00 O ATOM 1247 CB CYS A 84 -5.103 2.375 4.901 1.00 0.00 C ATOM 1248 SG CYS A 84 -6.818 1.897 5.305 1.00 0.00 S ATOM 0 H CYS A 84 -3.436 2.310 6.784 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.250 4.347 4.885 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.032 2.543 3.826 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.443 1.540 5.137 1.00 0.00 H new ATOM 1253 N SER A 85 -6.390 5.246 5.840 1.00 0.00 N ATOM 1254 CA SER A 85 -7.484 5.933 6.520 1.00 0.00 C ATOM 1255 C SER A 85 -7.919 7.176 5.752 1.00 0.00 C ATOM 1256 O SER A 85 -7.446 7.436 4.646 1.00 0.00 O ATOM 1257 CB SER A 85 -7.069 6.321 7.942 1.00 0.00 C ATOM 1258 OG SER A 85 -5.747 6.829 7.968 1.00 0.00 O ATOM 0 H SER A 85 -6.204 5.576 4.893 1.00 0.00 H new ATOM 0 HA SER A 85 -8.329 5.246 6.567 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.757 7.070 8.333 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.140 5.451 8.595 1.00 0.00 H new ATOM 0 HG SER A 85 -5.507 7.071 8.887 1.00 0.00 H new ATOM 1264 N THR A 86 -8.826 7.939 6.352 1.00 0.00 N ATOM 1265 CA THR A 86 -9.336 9.157 5.734 1.00 0.00 C ATOM 1266 C THR A 86 -8.193 10.019 5.209 1.00 0.00 C ATOM 1267 O THR A 86 -7.260 10.345 5.942 1.00 0.00 O ATOM 1268 CB THR A 86 -10.166 9.954 6.741 1.00 0.00 C ATOM 1269 OG1 THR A 86 -9.332 10.550 7.718 1.00 0.00 O ATOM 1270 CG2 THR A 86 -11.195 9.116 7.469 1.00 0.00 C ATOM 0 H THR A 86 -9.224 7.734 7.269 1.00 0.00 H new ATOM 0 HA THR A 86 -9.969 8.871 4.894 1.00 0.00 H new ATOM 0 HB THR A 86 -10.687 10.708 6.151 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.414 10.601 7.378 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.748 9.744 8.167 1.00 0.00 H new ATOM 0 HG22 THR A 86 -11.886 8.681 6.747 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.693 8.319 8.017 1.00 0.00 H new ATOM 1278 N CYS A 87 -8.275 10.388 3.934 1.00 0.00 N ATOM 1279 CA CYS A 87 -7.250 11.217 3.312 1.00 0.00 C ATOM 1280 C CYS A 87 -7.261 12.621 3.903 1.00 0.00 C ATOM 1281 O CYS A 87 -7.548 13.596 3.208 1.00 0.00 O ATOM 1282 CB CYS A 87 -7.468 11.285 1.798 1.00 0.00 C ATOM 1283 SG CYS A 87 -6.473 10.092 0.845 1.00 0.00 S ATOM 0 H CYS A 87 -9.040 10.126 3.313 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.278 10.764 3.510 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.523 11.112 1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.235 12.293 1.454 1.00 0.00 H new ATOM 1288 N TYR A 88 -6.947 12.715 5.190 1.00 0.00 N ATOM 1289 CA TYR A 88 -6.923 14.000 5.877 1.00 0.00 C ATOM 1290 C TYR A 88 -5.991 13.958 7.084 1.00 0.00 C ATOM 1291 O TYR A 88 -5.915 12.952 7.789 1.00 0.00 O ATOM 1292 CB TYR A 88 -8.334 14.392 6.317 1.00 0.00 C ATOM 1293 CG TYR A 88 -8.998 15.390 5.396 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -9.669 14.970 4.254 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -8.953 16.750 5.668 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -10.276 15.880 3.409 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -9.559 17.666 4.829 1.00 0.00 C ATOM 1298 CZ TYR A 88 -10.218 17.226 3.701 1.00 0.00 C ATOM 1299 OH TYR A 88 -10.822 18.133 2.863 1.00 0.00 O ATOM 0 H TYR A 88 -6.706 11.917 5.778 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.546 14.749 5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.951 13.495 6.373 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.289 14.811 7.322 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.717 13.916 4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.436 17.098 6.550 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.793 15.538 2.525 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.516 18.721 5.056 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.690 19.039 3.212 1.00 0.00 H new ATOM 1309 N TYR A 89 -5.286 15.061 7.316 1.00 0.00 N ATOM 1310 CA TYR A 89 -4.359 15.155 8.436 1.00 0.00 C ATOM 1311 C TYR A 89 -3.177 14.211 8.248 1.00 0.00 C ATOM 1312 O TYR A 89 -3.100 13.160 8.884 1.00 0.00 O ATOM 1313 CB TYR A 89 -5.080 14.838 9.747 1.00 0.00 C ATOM 1314 CG TYR A 89 -5.754 16.040 10.369 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -6.450 16.950 9.584 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -5.691 16.266 11.738 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -7.065 18.052 10.146 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -6.304 17.365 12.307 1.00 0.00 C ATOM 1319 CZ TYR A 89 -6.990 18.254 11.508 1.00 0.00 C ATOM 1320 OH TYR A 89 -7.603 19.352 12.070 1.00 0.00 O ATOM 0 H TYR A 89 -5.340 15.902 6.742 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.978 16.176 8.476 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.828 14.066 9.564 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -4.363 14.426 10.457 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.511 16.794 8.517 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.154 15.572 12.367 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.602 18.751 9.522 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.246 17.527 13.373 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.457 19.348 13.039 1.00 0.00 H new ATOM 1330 N HIS A 90 -2.257 14.596 7.370 1.00 0.00 N ATOM 1331 CA HIS A 90 -1.074 13.787 7.097 1.00 0.00 C ATOM 1332 C HIS A 90 -0.096 13.855 8.266 1.00 0.00 C ATOM 1333 O HIS A 90 0.507 12.850 8.643 1.00 0.00 O ATOM 1334 CB HIS A 90 -0.390 14.265 5.815 1.00 0.00 C ATOM 1335 CG HIS A 90 -0.957 13.658 4.568 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -2.297 13.711 4.245 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -0.357 12.984 3.557 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -2.497 13.097 3.091 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -1.336 12.647 2.653 1.00 0.00 N ATOM 0 H HIS A 90 -2.307 15.463 6.835 1.00 0.00 H new ATOM 0 HA HIS A 90 -1.389 12.752 6.966 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -0.474 15.350 5.751 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.673 14.031 5.872 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -3.022 14.155 4.809 1.00 0.00 H new ATOM 0 HD2 HIS A 90 0.695 12.754 3.477 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -3.448 12.983 2.592 1.00 0.00 H new ATOM 1348 N LYS A 91 0.051 15.050 8.834 1.00 0.00 N ATOM 1349 CA LYS A 91 0.953 15.264 9.962 1.00 0.00 C ATOM 1350 C LYS A 91 2.102 14.260 9.949 1.00 0.00 C ATOM 1351 O LYS A 91 2.163 13.360 10.788 1.00 0.00 O ATOM 1352 CB LYS A 91 0.183 15.160 11.282 1.00 0.00 C ATOM 1353 CG LYS A 91 -0.076 16.504 11.944 1.00 0.00 C ATOM 1354 CD LYS A 91 1.219 17.162 12.394 1.00 0.00 C ATOM 1355 CE LYS A 91 0.987 18.105 13.563 1.00 0.00 C ATOM 1356 NZ LYS A 91 2.239 18.362 14.326 1.00 0.00 N ATOM 0 H LYS A 91 -0.445 15.888 8.530 1.00 0.00 H new ATOM 0 HA LYS A 91 1.375 16.265 9.869 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.771 14.665 11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.743 14.527 11.971 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.596 17.160 11.246 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.733 16.367 12.803 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.938 16.395 12.681 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.657 17.713 11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.587 19.049 13.194 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.237 17.679 14.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.038 19.010 15.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.608 17.465 14.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.947 18.792 13.697 1.00 0.00 H new ATOM 1370 N SER A 92 3.010 14.419 8.990 1.00 0.00 N ATOM 1371 CA SER A 92 4.157 13.528 8.866 1.00 0.00 C ATOM 1372 C SER A 92 4.918 13.429 10.185 1.00 0.00 C ATOM 1373 O SER A 92 5.239 14.488 10.763 1.00 0.00 O ATOM 1374 CB SER A 92 5.092 14.022 7.760 1.00 0.00 C ATOM 1375 OG SER A 92 5.374 15.403 7.908 1.00 0.00 O ATOM 1376 OXT SER A 92 5.186 12.292 10.628 1.00 0.00 O ATOM 0 H SER A 92 2.973 15.158 8.287 1.00 0.00 H new ATOM 0 HA SER A 92 3.788 12.535 8.607 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.022 13.453 7.785 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.635 13.843 6.787 1.00 0.00 H new ATOM 0 HG SER A 92 5.418 15.628 8.861 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 13.252 0.041 1.984 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.673 -0.471 1.887 1.00 0.00 C HETATM 1385 C3 NAG A 178 14.669 -1.987 1.877 1.00 0.00 C HETATM 1386 C4 NAG A 178 13.898 -2.533 3.067 1.00 0.00 C HETATM 1387 C5 NAG A 178 12.529 -1.869 3.182 1.00 0.00 C HETATM 1388 C6 NAG A 178 11.805 -2.238 4.461 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.350 0.814 0.729 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.935 1.299 -0.587 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.283 0.025 0.670 1.00 0.00 N HETATM 1392 O3 NAG A 178 16.007 -2.459 1.936 1.00 0.00 O HETATM 1393 O4 NAG A 178 13.703 -3.950 2.880 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.637 -0.444 3.179 1.00 0.00 O HETATM 1395 O6 NAG A 178 12.565 -1.883 5.607 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.867 1.157 1.793 1.00 0.00 O HETATM 0 HO6 NAG A 178 13.073 -1.066 5.422 1.00 0.00 H new HETATM 0 HO3 NAG A 178 16.009 -3.439 1.931 1.00 0.00 H new HETATM 0 HN2 NAG A 178 14.891 -0.233 -0.236 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.243 0.442 -1.186 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.183 1.871 -1.131 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.800 1.933 -0.389 1.00 0.00 H new HETATM 0 H62 NAG A 178 10.839 -1.734 4.493 1.00 0.00 H new HETATM 0 H61 NAG A 178 11.606 -3.310 4.472 1.00 0.00 H new HETATM 0 H5 NAG A 178 11.971 -2.228 2.317 1.00 0.00 H new HETATM 0 H4 NAG A 178 14.467 -2.330 3.974 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.187 -2.327 0.960 1.00 0.00 H new HETATM 0 H2 NAG A 178 15.245 -0.120 2.746 1.00 0.00 H new HETATM 1410 C1 NAG A 179 13.972 -4.778 3.958 1.00 0.00 C HETATM 1411 C2 NAG A 179 13.006 -5.956 3.928 1.00 0.00 C HETATM 1412 C3 NAG A 179 13.361 -6.960 5.000 1.00 0.00 C HETATM 1413 C4 NAG A 179 14.810 -7.373 4.877 1.00 0.00 C HETATM 1414 C5 NAG A 179 15.723 -6.159 4.876 1.00 0.00 C HETATM 1415 C6 NAG A 179 17.168 -6.528 4.604 1.00 0.00 C HETATM 1416 C7 NAG A 179 10.712 -5.670 3.243 1.00 0.00 C HETATM 1417 C8 NAG A 179 9.305 -5.208 3.584 1.00 0.00 C HETATM 1418 N2 NAG A 179 11.657 -5.478 4.158 1.00 0.00 N HETATM 1419 O3 NAG A 179 12.535 -8.107 4.858 1.00 0.00 O HETATM 1420 O4 NAG A 179 15.150 -8.201 5.997 1.00 0.00 O HETATM 1421 O5 NAG A 179 15.339 -5.210 3.853 1.00 0.00 O HETATM 1422 O6 NAG A 179 17.310 -7.161 3.341 1.00 0.00 O HETATM 1423 O7 NAG A 179 10.937 -6.198 2.153 1.00 0.00 O HETATM 0 HO6 NAG A 179 16.722 -6.725 2.689 1.00 0.00 H new HETATM 0 HO3 NAG A 179 13.078 -8.916 4.960 1.00 0.00 H new HETATM 0 HN2 NAG A 179 11.432 -4.992 5.026 1.00 0.00 H new HETATM 0 H83 NAG A 179 8.956 -5.731 4.474 1.00 0.00 H new HETATM 0 H82 NAG A 179 9.310 -4.135 3.773 1.00 0.00 H new HETATM 0 H81 NAG A 179 8.638 -5.426 2.750 1.00 0.00 H new HETATM 0 H62 NAG A 179 17.787 -5.631 4.635 1.00 0.00 H new HETATM 0 H61 NAG A 179 17.530 -7.192 5.389 1.00 0.00 H new HETATM 0 H5 NAG A 179 15.625 -5.724 5.871 1.00 0.00 H new HETATM 0 H4 NAG A 179 14.941 -7.912 3.939 1.00 0.00 H new HETATM 0 H3 NAG A 179 13.205 -6.503 5.977 1.00 0.00 H new HETATM 0 H2 NAG A 179 13.074 -6.438 2.953 1.00 0.00 H new HETATM 1437 C1 BMA A 180 15.768 -9.396 5.703 1.00 0.00 C HETATM 1438 C2 BMA A 180 16.453 -9.917 6.951 1.00 0.00 C HETATM 1439 C3 BMA A 180 17.044 -11.294 6.696 1.00 0.00 C HETATM 1440 C4 BMA A 180 15.996 -12.226 6.108 1.00 0.00 C HETATM 1441 C5 BMA A 180 15.337 -11.589 4.892 1.00 0.00 C HETATM 1442 C6 BMA A 180 14.203 -12.429 4.344 1.00 0.00 C HETATM 1443 O2 BMA A 180 15.505 -10.001 8.006 1.00 0.00 O HETATM 1444 O3 BMA A 180 17.518 -11.845 7.939 1.00 0.00 O HETATM 1445 O4 BMA A 180 16.620 -13.439 5.717 1.00 0.00 O HETATM 1446 O5 BMA A 180 14.776 -10.308 5.222 1.00 0.00 O HETATM 1447 O6 BMA A 180 14.712 -13.662 3.803 1.00 0.00 O HETATM 0 HO4 BMA A 180 16.112 -13.847 4.985 1.00 0.00 H new HETATM 0 HO2 BMA A 180 15.756 -10.727 8.614 1.00 0.00 H new HETATM 0 H62 BMA A 180 13.483 -12.640 5.134 1.00 0.00 H new HETATM 0 H61 BMA A 180 13.673 -11.875 3.569 1.00 0.00 H new HETATM 0 H5 BMA A 180 16.127 -11.498 4.147 1.00 0.00 H new HETATM 0 H4 BMA A 180 15.233 -12.419 6.862 1.00 0.00 H new HETATM 0 H3 BMA A 180 17.867 -11.196 5.988 1.00 0.00 H new HETATM 0 H2 BMA A 180 17.257 -9.233 7.224 1.00 0.00 H new HETATM 1457 C1 MAN A 181 18.903 -11.806 8.105 1.00 0.00 C HETATM 1458 C2 MAN A 181 19.257 -12.469 9.425 1.00 0.00 C HETATM 1459 C3 MAN A 181 18.781 -11.631 10.602 1.00 0.00 C HETATM 1460 C4 MAN A 181 19.285 -10.206 10.477 1.00 0.00 C HETATM 1461 C5 MAN A 181 18.908 -9.626 9.123 1.00 0.00 C HETATM 1462 C6 MAN A 181 19.504 -8.250 8.899 1.00 0.00 C HETATM 1463 O2 MAN A 181 20.684 -12.602 9.491 1.00 0.00 O HETATM 1464 O3 MAN A 181 19.277 -12.199 11.806 1.00 0.00 O HETATM 1465 O4 MAN A 181 18.703 -9.417 11.504 1.00 0.00 O HETATM 1466 O5 MAN A 181 19.387 -10.466 8.054 1.00 0.00 O HETATM 1467 O6 MAN A 181 19.154 -7.735 7.623 1.00 0.00 O HETATM 0 HO6 MAN A 181 19.551 -6.847 7.509 1.00 0.00 H new HETATM 0 HO4 MAN A 181 19.240 -8.609 11.640 1.00 0.00 H new HETATM 0 HO3 MAN A 181 19.512 -13.138 11.652 1.00 0.00 H new HETATM 0 H62 MAN A 181 19.155 -7.570 9.676 1.00 0.00 H new HETATM 0 H61 MAN A 181 20.589 -8.303 8.986 1.00 0.00 H new HETATM 0 H5 MAN A 181 17.820 -9.563 9.122 1.00 0.00 H new HETATM 0 H4 MAN A 181 20.371 -10.203 10.570 1.00 0.00 H new HETATM 0 H3 MAN A 181 17.691 -11.619 10.611 1.00 0.00 H new HETATM 0 H2 MAN A 181 18.769 -13.442 9.479 1.00 0.00 H new HETATM 1478 C1 MAN A 182 14.597 -13.699 2.409 1.00 0.00 C HETATM 1479 C2 MAN A 182 14.904 -15.116 1.938 1.00 0.00 C HETATM 1480 C3 MAN A 182 16.383 -15.439 2.110 1.00 0.00 C HETATM 1481 C4 MAN A 182 17.241 -14.370 1.460 1.00 0.00 C HETATM 1482 C5 MAN A 182 16.861 -12.993 1.983 1.00 0.00 C HETATM 1483 C6 MAN A 182 17.607 -11.882 1.270 1.00 0.00 C HETATM 1484 O2 MAN A 182 14.566 -15.223 0.547 1.00 0.00 O HETATM 1485 O3 MAN A 182 16.659 -16.690 1.497 1.00 0.00 O HETATM 1486 O4 MAN A 182 18.609 -14.620 1.754 1.00 0.00 O HETATM 1487 O5 MAN A 182 15.457 -12.744 1.789 1.00 0.00 O HETATM 1488 O6 MAN A 182 19.006 -11.973 1.495 1.00 0.00 O HETATM 0 HO6 MAN A 182 19.461 -11.245 1.022 1.00 0.00 H new HETATM 0 HO4 MAN A 182 19.080 -13.768 1.867 1.00 0.00 H new HETATM 0 HO3 MAN A 182 15.958 -16.896 0.844 1.00 0.00 H new HETATM 0 H62 MAN A 182 17.404 -11.933 0.200 1.00 0.00 H new HETATM 0 H61 MAN A 182 17.243 -10.915 1.617 1.00 0.00 H new HETATM 0 H5 MAN A 182 17.122 -12.994 3.041 1.00 0.00 H new HETATM 0 H4 MAN A 182 17.079 -14.397 0.382 1.00 0.00 H new HETATM 0 H3 MAN A 182 16.614 -15.478 3.175 1.00 0.00 H new HETATM 0 H2 MAN A 182 14.321 -15.818 2.535 1.00 0.00 H new HETATM 1499 C1 NAG A 183 13.374 -15.858 0.235 1.00 0.00 C HETATM 1500 C2 NAG A 183 13.223 -15.875 -1.287 1.00 0.00 C HETATM 1501 C3 NAG A 183 11.988 -16.659 -1.691 1.00 0.00 C HETATM 1502 C4 NAG A 183 12.014 -18.038 -1.065 1.00 0.00 C HETATM 1503 C5 NAG A 183 12.227 -17.930 0.440 1.00 0.00 C HETATM 1504 C6 NAG A 183 12.371 -19.281 1.110 1.00 0.00 C HETATM 1505 C7 NAG A 183 14.113 -13.934 -2.387 1.00 0.00 C HETATM 1506 C8 NAG A 183 14.062 -12.424 -2.540 1.00 0.00 C HETATM 1507 N2 NAG A 183 13.097 -14.512 -1.756 1.00 0.00 N HETATM 1508 O3 NAG A 183 11.955 -16.786 -3.104 1.00 0.00 O HETATM 1509 O4 NAG A 183 10.761 -18.696 -1.329 1.00 0.00 O HETATM 1510 O5 NAG A 183 13.429 -17.192 0.734 1.00 0.00 O HETATM 1511 O6 NAG A 183 11.115 -19.935 1.228 1.00 0.00 O HETATM 1512 O7 NAG A 183 15.067 -14.567 -2.837 1.00 0.00 O HETATM 0 HO6 NAG A 183 11.239 -20.805 1.662 1.00 0.00 H new HETATM 0 HO3 NAG A 183 11.868 -17.732 -3.345 1.00 0.00 H new HETATM 0 HN2 NAG A 183 12.230 -13.996 -1.603 1.00 0.00 H new HETATM 0 H83 NAG A 183 13.172 -12.145 -3.104 1.00 0.00 H new HETATM 0 H82 NAG A 183 14.028 -11.959 -1.555 1.00 0.00 H new HETATM 0 H81 NAG A 183 14.950 -12.082 -3.072 1.00 0.00 H new HETATM 0 H62 NAG A 183 13.055 -19.904 0.534 1.00 0.00 H new HETATM 0 H61 NAG A 183 12.812 -19.154 2.099 1.00 0.00 H new HETATM 0 H5 NAG A 183 11.341 -17.424 0.823 1.00 0.00 H new HETATM 0 H4 NAG A 183 12.834 -18.613 -1.494 1.00 0.00 H new HETATM 0 H3 NAG A 183 11.101 -16.128 -1.344 1.00 0.00 H new HETATM 0 H2 NAG A 183 14.098 -16.351 -1.729 1.00 0.00 H new HETATM 1526 C1 NAG A 184 21.166 -13.867 9.759 1.00 0.00 C HETATM 1527 C2 NAG A 184 22.693 -13.845 9.681 1.00 0.00 C HETATM 1528 C3 NAG A 184 23.266 -15.185 10.106 1.00 0.00 C HETATM 1529 C4 NAG A 184 22.719 -15.586 11.461 1.00 0.00 C HETATM 1530 C5 NAG A 184 21.199 -15.531 11.457 1.00 0.00 C HETATM 1531 C6 NAG A 184 20.610 -15.820 12.822 1.00 0.00 C HETATM 1532 C7 NAG A 184 23.529 -12.361 7.988 1.00 0.00 C HETATM 1533 C8 NAG A 184 23.503 -11.986 6.515 1.00 0.00 C HETATM 1534 N2 NAG A 184 23.082 -13.569 8.313 1.00 0.00 N HETATM 1535 O3 NAG A 184 24.681 -15.085 10.184 1.00 0.00 O HETATM 1536 O4 NAG A 184 23.141 -16.928 11.774 1.00 0.00 O HETATM 1537 O5 NAG A 184 20.734 -14.226 11.069 1.00 0.00 O HETATM 1538 O6 NAG A 184 21.059 -14.880 13.787 1.00 0.00 O HETATM 1539 O7 NAG A 184 23.951 -11.557 8.820 1.00 0.00 O HETATM 0 HO6 NAG A 184 21.209 -14.013 13.354 1.00 0.00 H new HETATM 0 HO3 NAG A 184 25.018 -15.724 10.846 1.00 0.00 H new HETATM 0 HN2 NAG A 184 23.013 -14.298 7.603 1.00 0.00 H new HETATM 0 H83 NAG A 184 24.118 -12.686 5.950 1.00 0.00 H new HETATM 0 H82 NAG A 184 22.478 -12.026 6.147 1.00 0.00 H new HETATM 0 H81 NAG A 184 23.894 -10.976 6.390 1.00 0.00 H new HETATM 0 H62 NAG A 184 19.522 -15.793 12.764 1.00 0.00 H new HETATM 0 H61 NAG A 184 20.888 -16.826 13.135 1.00 0.00 H new HETATM 0 H5 NAG A 184 20.877 -16.293 10.747 1.00 0.00 H new HETATM 0 H4 NAG A 184 23.100 -14.891 12.210 1.00 0.00 H new HETATM 0 H3 NAG A 184 22.984 -15.940 9.372 1.00 0.00 H new HETATM 0 H2 NAG A 184 23.077 -13.075 10.350 1.00 0.00 H new HETATM 1553 C1 GAL A 185 23.264 -17.800 10.705 1.00 0.00 C HETATM 1554 C2 GAL A 185 23.605 -19.192 11.220 1.00 0.00 C HETATM 1555 C3 GAL A 185 23.624 -20.192 10.077 1.00 0.00 C HETATM 1556 C4 GAL A 185 22.339 -20.111 9.273 1.00 0.00 C HETATM 1557 C5 GAL A 185 22.063 -18.677 8.848 1.00 0.00 C HETATM 1558 C6 GAL A 185 20.731 -18.527 8.140 1.00 0.00 C HETATM 1559 O2 GAL A 185 24.888 -19.160 11.830 1.00 0.00 O HETATM 1560 O3 GAL A 185 23.760 -21.502 10.609 1.00 0.00 O HETATM 1561 O4 GAL A 185 21.259 -20.573 10.073 1.00 0.00 O HETATM 1562 O5 GAL A 185 22.025 -17.800 9.987 1.00 0.00 O HETATM 1563 O6 GAL A 185 20.709 -19.260 6.924 1.00 0.00 O HETATM 0 HO6 GAL A 185 19.838 -19.147 6.489 1.00 0.00 H new HETATM 0 HO4 GAL A 185 20.860 -19.817 10.553 1.00 0.00 H new HETATM 0 HO3 GAL A 185 22.875 -21.858 10.833 1.00 0.00 H new HETATM 0 HO2 GAL A 185 25.113 -20.053 12.165 1.00 0.00 H new HETATM 0 H62 GAL A 185 19.929 -18.874 8.791 1.00 0.00 H new HETATM 0 H61 GAL A 185 20.542 -17.473 7.936 1.00 0.00 H new HETATM 0 H5 GAL A 185 22.875 -18.414 8.170 1.00 0.00 H new HETATM 0 H4 GAL A 185 22.443 -20.730 8.382 1.00 0.00 H new HETATM 0 H3 GAL A 185 24.463 -19.961 9.420 1.00 0.00 H new HETATM 0 H2 GAL A 185 22.849 -19.496 11.944 1.00 0.00 H new HETATM 1575 C1 GAL A 186 10.841 -19.964 -1.882 1.00 0.00 C HETATM 1576 C2 GAL A 186 9.445 -20.457 -2.234 1.00 0.00 C HETATM 1577 C3 GAL A 186 9.517 -21.804 -2.931 1.00 0.00 C HETATM 1578 C4 GAL A 186 10.485 -21.750 -4.101 1.00 0.00 C HETATM 1579 C5 GAL A 186 11.831 -21.191 -3.659 1.00 0.00 C HETATM 1580 C6 GAL A 186 12.789 -21.011 -4.819 1.00 0.00 C HETATM 1581 O2 GAL A 186 8.681 -20.588 -1.044 1.00 0.00 O HETATM 1582 O3 GAL A 186 8.227 -22.151 -3.409 1.00 0.00 O HETATM 1583 O4 GAL A 186 9.945 -20.913 -5.113 1.00 0.00 O HETATM 1584 O5 GAL A 186 11.676 -19.900 -3.043 1.00 0.00 O HETATM 1585 O6 GAL A 186 14.046 -20.519 -4.378 1.00 0.00 O HETATM 0 HO6 GAL A 186 13.915 -19.939 -3.599 1.00 0.00 H new HETATM 0 HO4 GAL A 186 10.254 -19.993 -4.976 1.00 0.00 H new HETATM 0 HO3 GAL A 186 8.128 -21.845 -4.335 1.00 0.00 H new HETATM 0 HO2 GAL A 186 7.780 -20.904 -1.267 1.00 0.00 H new HETATM 0 H62 GAL A 186 12.928 -21.964 -5.330 1.00 0.00 H new HETATM 0 H61 GAL A 186 12.360 -20.320 -5.544 1.00 0.00 H new HETATM 0 H5 GAL A 186 12.234 -21.919 -2.955 1.00 0.00 H new HETATM 0 H4 GAL A 186 10.632 -22.761 -4.482 1.00 0.00 H new HETATM 0 H3 GAL A 186 9.869 -22.550 -2.218 1.00 0.00 H new HETATM 0 H2 GAL A 186 8.976 -19.737 -2.904 1.00 0.00 H new