USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 GLN : amide:sc= -6.07! C(o=-6.1!,f=-8.2!) USER MOD Set 1.2: A 96 SER OG : rot 85:sc= 0.0133 USER MOD Set 2.1: A 61 LYS NZ :NH3+ 173:sc= 1.04 (180deg=-0.0618) USER MOD Set 2.2: A 73 CYS SG : rot -70:sc= 0.105 USER MOD Single : A 2 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 3 THR OG1 : rot -83:sc= 1.45 USER MOD Single : A 7 ASN : amide:sc= -2.35 K(o=-2.3,f=-9.2!) USER MOD Single : A 8 GLN :FLIP amide:sc= -2.98! C(o=-5.9!,f=-3!) USER MOD Single : A 9 GLN : amide:sc= -0.476 K(o=-0.48,f=-4.7!) USER MOD Single : A 10 LYS NZ :NH3+ -173:sc= -0.017 (180deg=-0.106) USER MOD Single : A 15 SER OG : rot 5:sc= -2.06! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 34 MET CE :methyl -126:sc= -0.919 (180deg=-4.2!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.376 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 85:sc= 0.24 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0669 USER MOD Single : A 45 GLN : amide:sc= -0.763 X(o=-0.76,f=-0.68) USER MOD Single : A 47 SER OG : rot -140:sc= -0.237 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 30:sc= -0.166 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 0.0402 X(o=0.04,f=-0.42) USER MOD Single : A 62 SER OG : rot 118:sc= 1.23 USER MOD Single : A 63 SER OG : rot -160:sc= -0.701 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= -0.689! (180deg=-0.919!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.06) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.629 F(o=-1.6,f=-0.63) USER MOD Single : A 91 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.1) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 107:sc= 1.27 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-4.4!) USER MOD Single : A 105 THR OG1 : rot 46:sc= 0.0548 USER MOD Single : A 109 TYR OH : rot -140:sc= -2.06! USER MOD Single : A 111 SER OG : rot -109:sc= 0.336 USER MOD Single : A 113 THR OG1 : rot -45:sc= -0.268 USER MOD Single : A 114 ASN : amide:sc=-0.00646 X(o=-0.0065,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 2 -0.118 4.897 8.359 1.00 0.00 N ATOM 19 CA ASN A 2 -0.811 5.765 7.424 1.00 0.00 C ATOM 20 C ASN A 2 -2.200 5.987 7.912 1.00 0.00 C ATOM 21 O ASN A 2 -3.134 5.288 7.556 1.00 0.00 O ATOM 22 CB ASN A 2 -0.835 5.172 6.016 1.00 0.00 C ATOM 23 CG ASN A 2 0.544 4.861 5.495 1.00 0.00 C ATOM 24 OD1 ASN A 2 1.195 5.851 4.931 1.00 0.00 O flip ATOM 25 ND2 ASN A 2 1.040 3.754 5.638 1.00 0.00 N flip ATOM 0 HA ASN A 2 -0.277 6.713 7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.432 4.260 6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.326 5.872 5.339 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.504 3.008 6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 2 1.991 3.575 5.314 1.00 0.00 H new ATOM 32 N THR A 3 -2.308 6.909 8.795 1.00 0.00 N ATOM 33 CA THR A 3 -3.511 7.151 9.467 1.00 0.00 C ATOM 34 C THR A 3 -4.021 8.585 9.233 1.00 0.00 C ATOM 35 O THR A 3 -4.600 8.877 8.151 1.00 0.00 O ATOM 36 CB THR A 3 -3.248 6.765 10.930 1.00 0.00 C ATOM 37 OG1 THR A 3 -2.933 5.363 10.981 1.00 0.00 O ATOM 38 CG2 THR A 3 -4.389 7.086 11.866 1.00 0.00 C ATOM 0 H THR A 3 -1.542 7.524 9.070 1.00 0.00 H new ATOM 0 HA THR A 3 -4.339 6.551 9.088 1.00 0.00 H new ATOM 0 HB THR A 3 -2.412 7.369 11.282 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.763 4.841 10.988 1.00 0.00 H new ATOM 0 HG21 THR A 3 -4.125 6.783 12.879 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.584 8.158 11.847 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.283 6.549 11.548 1.00 0.00 H new ATOM 46 N ASP A 4 -3.767 9.495 10.157 1.00 0.00 N ATOM 47 CA ASP A 4 -4.190 10.881 10.093 1.00 0.00 C ATOM 48 C ASP A 4 -3.152 11.595 9.275 1.00 0.00 C ATOM 49 O ASP A 4 -2.117 12.015 9.793 1.00 0.00 O ATOM 50 CB ASP A 4 -4.274 11.481 11.508 1.00 0.00 C ATOM 51 CG ASP A 4 -4.959 12.841 11.569 1.00 0.00 C ATOM 52 OD1 ASP A 4 -4.394 13.849 11.085 1.00 0.00 O ATOM 53 OD2 ASP A 4 -6.078 12.921 12.139 1.00 0.00 O ATOM 0 H ASP A 4 -3.241 9.280 11.004 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.180 10.977 9.646 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.811 10.787 12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.266 11.576 11.911 1.00 0.00 H new ATOM 58 N VAL A 5 -3.388 11.627 7.976 1.00 0.00 N ATOM 59 CA VAL A 5 -2.457 12.112 6.975 1.00 0.00 C ATOM 60 C VAL A 5 -3.046 11.792 5.604 1.00 0.00 C ATOM 61 O VAL A 5 -2.995 12.598 4.687 1.00 0.00 O ATOM 62 CB VAL A 5 -1.022 11.484 7.103 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.041 9.966 6.971 1.00 0.00 C ATOM 64 CG2 VAL A 5 -0.061 12.098 6.093 1.00 0.00 C ATOM 0 H VAL A 5 -4.268 11.303 7.574 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.327 13.185 7.119 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.666 11.718 8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.026 9.580 7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.667 9.540 7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.444 9.691 5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.924 11.644 6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.431 11.918 5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.012 13.172 6.267 1.00 0.00 H new ATOM 74 N LEU A 6 -3.660 10.609 5.485 1.00 0.00 N ATOM 75 CA LEU A 6 -4.202 10.204 4.205 1.00 0.00 C ATOM 76 C LEU A 6 -5.355 9.240 4.296 1.00 0.00 C ATOM 77 O LEU A 6 -6.285 9.361 3.544 1.00 0.00 O ATOM 78 CB LEU A 6 -3.099 9.638 3.296 1.00 0.00 C ATOM 79 CG LEU A 6 -2.373 8.374 3.771 1.00 0.00 C ATOM 80 CD1 LEU A 6 -3.128 7.088 3.435 1.00 0.00 C ATOM 81 CD2 LEU A 6 -0.959 8.349 3.259 1.00 0.00 C ATOM 0 H LEU A 6 -3.787 9.939 6.243 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.609 11.114 3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.541 9.427 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.353 10.418 3.145 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.339 8.416 4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.563 6.229 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.107 7.106 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.253 7.011 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.462 7.444 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.966 8.362 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.423 9.223 3.629 1.00 0.00 H new ATOM 93 N ASN A 7 -5.335 8.305 5.216 1.00 0.00 N ATOM 94 CA ASN A 7 -6.317 7.235 5.136 1.00 0.00 C ATOM 95 C ASN A 7 -7.655 7.663 5.621 1.00 0.00 C ATOM 96 O ASN A 7 -8.623 7.436 4.990 1.00 0.00 O ATOM 97 CB ASN A 7 -5.854 5.981 5.824 1.00 0.00 C ATOM 98 CG ASN A 7 -6.303 4.730 5.062 1.00 0.00 C ATOM 99 OD1 ASN A 7 -7.391 4.204 5.261 1.00 0.00 O ATOM 100 ND2 ASN A 7 -5.442 4.230 4.202 1.00 0.00 N ATOM 0 H ASN A 7 -4.683 8.255 5.999 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.421 6.996 4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.767 5.989 5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.250 5.953 6.839 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.674 3.384 3.682 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.543 4.688 4.056 1.00 0.00 H new ATOM 107 N GLN A 8 -7.693 8.453 6.629 1.00 0.00 N ATOM 108 CA GLN A 8 -8.960 8.903 7.104 1.00 0.00 C ATOM 109 C GLN A 8 -9.374 10.167 6.396 1.00 0.00 C ATOM 110 O GLN A 8 -10.529 10.433 6.228 1.00 0.00 O ATOM 111 CB GLN A 8 -9.006 9.007 8.640 1.00 0.00 C ATOM 112 CG GLN A 8 -7.768 9.592 9.328 1.00 0.00 C ATOM 113 CD GLN A 8 -7.385 10.978 8.854 1.00 0.00 C ATOM 114 OE1 GLN A 8 -6.459 11.058 7.911 1.00 0.00 O flip ATOM 115 NE2 GLN A 8 -7.870 11.972 9.360 1.00 0.00 N flip ATOM 0 H GLN A 8 -6.880 8.800 7.138 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.706 8.148 6.856 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.867 9.616 8.914 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.180 8.009 9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.946 9.625 10.403 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.925 8.920 9.165 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.582 11.880 10.085 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.565 12.898 9.060 1.00 0.00 H new ATOM 124 N GLN A 9 -8.422 10.862 5.834 1.00 0.00 N ATOM 125 CA GLN A 9 -8.688 12.150 5.277 1.00 0.00 C ATOM 126 C GLN A 9 -8.863 12.024 3.787 1.00 0.00 C ATOM 127 O GLN A 9 -9.942 12.239 3.245 1.00 0.00 O ATOM 128 CB GLN A 9 -7.488 13.047 5.590 1.00 0.00 C ATOM 129 CG GLN A 9 -7.510 14.417 4.959 1.00 0.00 C ATOM 130 CD GLN A 9 -8.577 15.340 5.501 1.00 0.00 C ATOM 131 OE1 GLN A 9 -9.638 14.911 5.947 1.00 0.00 O ATOM 132 NE2 GLN A 9 -8.297 16.620 5.471 1.00 0.00 N ATOM 0 H GLN A 9 -7.454 10.552 5.752 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.599 12.576 5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.420 13.167 6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -6.581 12.534 5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.536 14.885 5.102 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.655 14.306 3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.405 16.938 5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.971 17.298 5.826 1.00 0.00 H new ATOM 141 N LYS A 10 -7.797 11.588 3.149 1.00 0.00 N ATOM 142 CA LYS A 10 -7.742 11.478 1.726 1.00 0.00 C ATOM 143 C LYS A 10 -8.504 10.279 1.229 1.00 0.00 C ATOM 144 O LYS A 10 -8.870 10.229 0.077 1.00 0.00 O ATOM 145 CB LYS A 10 -6.320 11.428 1.235 1.00 0.00 C ATOM 146 CG LYS A 10 -6.210 11.669 -0.260 1.00 0.00 C ATOM 147 CD LYS A 10 -4.786 11.643 -0.727 1.00 0.00 C ATOM 148 CE LYS A 10 -3.951 12.625 0.053 1.00 0.00 C ATOM 149 NZ LYS A 10 -4.427 14.025 -0.082 1.00 0.00 N ATOM 0 H LYS A 10 -6.939 11.299 3.620 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.217 12.372 1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.730 12.176 1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.891 10.455 1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.781 10.909 -0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.655 12.633 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.378 10.639 -0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.742 11.884 -1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.958 12.344 1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.917 12.564 -0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.750 14.668 0.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.508 14.268 -1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.357 14.121 0.373 1.00 0.00 H new ATOM 163 N ILE A 11 -8.820 9.340 2.085 1.00 0.00 N ATOM 164 CA ILE A 11 -9.620 8.277 1.584 1.00 0.00 C ATOM 165 C ILE A 11 -11.057 8.597 1.849 1.00 0.00 C ATOM 166 O ILE A 11 -11.920 8.184 1.121 1.00 0.00 O ATOM 167 CB ILE A 11 -9.188 6.888 2.091 1.00 0.00 C ATOM 168 CG1 ILE A 11 -8.942 5.957 0.938 1.00 0.00 C ATOM 169 CG2 ILE A 11 -10.251 6.285 2.995 1.00 0.00 C ATOM 170 CD1 ILE A 11 -8.474 4.579 1.361 1.00 0.00 C ATOM 0 H ILE A 11 -8.552 9.295 3.068 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.473 8.202 0.507 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.266 7.018 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.860 5.858 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.195 6.399 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.922 5.305 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.411 6.937 3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.184 6.181 2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.317 3.961 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.539 4.666 1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.230 4.117 1.997 1.00 0.00 H new ATOM 182 N GLU A 12 -11.318 9.384 2.859 1.00 0.00 N ATOM 183 CA GLU A 12 -12.655 9.833 3.046 1.00 0.00 C ATOM 184 C GLU A 12 -13.083 10.666 1.840 1.00 0.00 C ATOM 185 O GLU A 12 -14.167 10.472 1.288 1.00 0.00 O ATOM 186 CB GLU A 12 -12.699 10.622 4.314 1.00 0.00 C ATOM 187 CG GLU A 12 -13.504 9.954 5.418 1.00 0.00 C ATOM 188 CD GLU A 12 -14.988 9.905 5.099 1.00 0.00 C ATOM 189 OE1 GLU A 12 -15.411 9.115 4.235 1.00 0.00 O ATOM 190 OE2 GLU A 12 -15.763 10.687 5.687 1.00 0.00 O ATOM 0 H GLU A 12 -10.638 9.715 3.543 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.350 8.997 3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.680 10.785 4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.126 11.603 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.134 8.940 5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.353 10.494 6.353 1.00 0.00 H new ATOM 197 N GLU A 13 -12.181 11.522 1.397 1.00 0.00 N ATOM 198 CA GLU A 13 -12.466 12.407 0.274 1.00 0.00 C ATOM 199 C GLU A 13 -12.249 11.750 -1.098 1.00 0.00 C ATOM 200 O GLU A 13 -13.064 11.924 -1.996 1.00 0.00 O ATOM 201 CB GLU A 13 -11.683 13.707 0.357 1.00 0.00 C ATOM 202 CG GLU A 13 -10.185 13.549 0.365 1.00 0.00 C ATOM 203 CD GLU A 13 -9.467 14.866 0.219 1.00 0.00 C ATOM 204 OE1 GLU A 13 -9.350 15.374 -0.912 1.00 0.00 O ATOM 205 OE2 GLU A 13 -8.985 15.414 1.229 1.00 0.00 O ATOM 0 H GLU A 13 -11.247 11.626 1.793 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.529 12.631 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.962 14.336 -0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.982 14.237 1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.878 13.072 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.888 12.885 -0.447 1.00 0.00 H new ATOM 212 N LEU A 14 -11.165 11.000 -1.267 1.00 0.00 N ATOM 213 CA LEU A 14 -10.893 10.387 -2.564 1.00 0.00 C ATOM 214 C LEU A 14 -11.685 9.141 -2.771 1.00 0.00 C ATOM 215 O LEU A 14 -12.091 8.871 -3.891 1.00 0.00 O ATOM 216 CB LEU A 14 -9.407 10.144 -2.857 1.00 0.00 C ATOM 217 CG LEU A 14 -8.635 11.262 -3.580 1.00 0.00 C ATOM 218 CD1 LEU A 14 -9.187 11.472 -4.974 1.00 0.00 C ATOM 219 CD2 LEU A 14 -8.649 12.568 -2.806 1.00 0.00 C ATOM 0 H LEU A 14 -10.475 10.804 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.219 11.133 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.905 9.946 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.326 9.237 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.596 10.939 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.629 12.266 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.091 10.549 -5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.238 11.752 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.091 13.324 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.678 12.901 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.188 12.417 -1.830 1.00 0.00 H new ATOM 231 N SER A 15 -11.804 8.313 -1.742 1.00 0.00 N ATOM 232 CA SER A 15 -12.713 7.222 -1.839 1.00 0.00 C ATOM 233 C SER A 15 -14.119 7.762 -2.022 1.00 0.00 C ATOM 234 O SER A 15 -14.544 7.839 -3.148 1.00 0.00 O ATOM 235 CB SER A 15 -12.564 6.183 -0.722 1.00 0.00 C ATOM 236 OG SER A 15 -11.432 5.373 -0.956 1.00 0.00 O ATOM 0 H SER A 15 -11.292 8.386 -0.863 1.00 0.00 H new ATOM 0 HA SER A 15 -12.463 6.639 -2.726 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.468 6.685 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.459 5.563 -0.670 1.00 0.00 H new ATOM 0 HG SER A 15 -10.949 5.704 -1.742 1.00 0.00 H new ATOM 242 N ALA A 16 -14.824 8.174 -0.963 1.00 0.00 N ATOM 243 CA ALA A 16 -16.148 8.793 -1.139 1.00 0.00 C ATOM 244 C ALA A 16 -17.065 7.974 -2.086 1.00 0.00 C ATOM 245 O ALA A 16 -17.094 6.747 -2.015 1.00 0.00 O ATOM 246 CB ALA A 16 -15.924 10.198 -1.664 1.00 0.00 C ATOM 0 H ALA A 16 -14.512 8.094 0.005 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.670 8.818 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.886 10.690 -1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.330 10.764 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.395 10.151 -2.616 1.00 0.00 H new ATOM 252 N GLU A 17 -17.753 8.657 -3.017 1.00 0.00 N ATOM 253 CA GLU A 17 -18.635 8.003 -3.999 1.00 0.00 C ATOM 254 C GLU A 17 -17.844 7.194 -5.010 1.00 0.00 C ATOM 255 O GLU A 17 -18.409 6.494 -5.859 1.00 0.00 O ATOM 256 CB GLU A 17 -19.500 8.985 -4.761 1.00 0.00 C ATOM 257 CG GLU A 17 -20.394 9.843 -3.896 1.00 0.00 C ATOM 258 CD GLU A 17 -21.504 10.477 -4.691 1.00 0.00 C ATOM 259 OE1 GLU A 17 -21.234 11.261 -5.618 1.00 0.00 O ATOM 260 OE2 GLU A 17 -22.686 10.144 -4.437 1.00 0.00 O ATOM 0 H GLU A 17 -17.714 9.672 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.278 7.348 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.854 9.636 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.121 8.431 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -20.820 9.234 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.799 10.622 -3.419 1.00 0.00 H new ATOM 267 N ILE A 18 -16.552 7.256 -4.887 1.00 0.00 N ATOM 268 CA ILE A 18 -15.672 6.467 -5.660 1.00 0.00 C ATOM 269 C ILE A 18 -15.108 5.326 -4.845 1.00 0.00 C ATOM 270 O ILE A 18 -15.804 4.317 -4.738 1.00 0.00 O ATOM 271 CB ILE A 18 -14.715 7.246 -6.637 1.00 0.00 C ATOM 272 CG1 ILE A 18 -13.553 6.381 -7.130 1.00 0.00 C ATOM 273 CG2 ILE A 18 -14.257 8.594 -6.094 1.00 0.00 C ATOM 274 CD1 ILE A 18 -12.593 7.075 -8.082 1.00 0.00 C ATOM 0 H ILE A 18 -16.080 7.875 -4.228 1.00 0.00 H new ATOM 0 HA ILE A 18 -16.264 5.973 -6.430 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.320 7.481 -7.513 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.991 6.027 -6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -13.961 5.501 -7.627 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.601 9.075 -6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.125 9.228 -5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.717 8.445 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.805 6.381 -8.375 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.134 7.404 -8.969 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.150 7.939 -7.586 1.00 0.00 H new ATOM 286 N GLY A 19 -13.900 5.354 -4.292 1.00 0.00 N ATOM 287 CA GLY A 19 -13.300 4.337 -3.462 1.00 0.00 C ATOM 288 C GLY A 19 -14.151 3.640 -2.431 1.00 0.00 C ATOM 289 O GLY A 19 -13.781 2.554 -2.060 1.00 0.00 O ATOM 0 H GLY A 19 -13.276 6.150 -4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.891 3.572 -4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.458 4.792 -2.941 1.00 0.00 H new ATOM 293 N SER A 20 -15.273 4.184 -1.963 1.00 0.00 N ATOM 294 CA SER A 20 -16.087 3.424 -1.015 1.00 0.00 C ATOM 295 C SER A 20 -16.548 2.117 -1.690 1.00 0.00 C ATOM 296 O SER A 20 -16.777 1.103 -1.032 1.00 0.00 O ATOM 297 CB SER A 20 -17.275 4.266 -0.520 1.00 0.00 C ATOM 298 OG SER A 20 -18.043 3.585 0.467 1.00 0.00 O ATOM 0 H SER A 20 -15.629 5.107 -2.210 1.00 0.00 H new ATOM 0 HA SER A 20 -15.494 3.172 -0.136 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.906 5.205 -0.107 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.915 4.520 -1.365 1.00 0.00 H new ATOM 0 HG SER A 20 -18.786 4.156 0.755 1.00 0.00 H new ATOM 304 N ASP A 21 -16.674 2.174 -3.005 1.00 0.00 N ATOM 305 CA ASP A 21 -16.967 0.997 -3.808 1.00 0.00 C ATOM 306 C ASP A 21 -15.742 0.469 -4.539 1.00 0.00 C ATOM 307 O ASP A 21 -15.718 -0.679 -4.933 1.00 0.00 O ATOM 308 CB ASP A 21 -18.016 1.369 -4.832 1.00 0.00 C ATOM 309 CG ASP A 21 -18.506 0.219 -5.686 1.00 0.00 C ATOM 310 OD1 ASP A 21 -19.051 -0.762 -5.139 1.00 0.00 O ATOM 311 OD2 ASP A 21 -18.374 0.297 -6.928 1.00 0.00 O ATOM 0 H ASP A 21 -16.577 3.034 -3.545 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.314 0.212 -3.136 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.869 1.808 -4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -17.608 2.140 -5.485 1.00 0.00 H new ATOM 316 N ASN A 22 -14.698 1.273 -4.670 1.00 0.00 N ATOM 317 CA ASN A 22 -13.571 0.872 -5.505 1.00 0.00 C ATOM 318 C ASN A 22 -12.395 0.331 -4.701 1.00 0.00 C ATOM 319 O ASN A 22 -11.860 -0.728 -5.028 1.00 0.00 O ATOM 320 CB ASN A 22 -13.119 2.006 -6.438 1.00 0.00 C ATOM 321 CG ASN A 22 -14.110 2.296 -7.531 1.00 0.00 C ATOM 322 OD1 ASN A 22 -15.013 3.199 -7.256 1.00 0.00 O flip ATOM 323 ND2 ASN A 22 -14.053 1.718 -8.613 1.00 0.00 N flip ATOM 0 H ASN A 22 -14.605 2.185 -4.222 1.00 0.00 H new ATOM 0 HA ASN A 22 -13.937 0.050 -6.120 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.959 2.910 -5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.160 1.742 -6.885 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.329 1.020 -8.781 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.730 1.936 -9.344 1.00 0.00 H new ATOM 330 N VAL A 23 -12.005 1.036 -3.636 1.00 0.00 N ATOM 331 CA VAL A 23 -10.856 0.609 -2.847 1.00 0.00 C ATOM 332 C VAL A 23 -11.034 -0.768 -2.175 1.00 0.00 C ATOM 333 O VAL A 23 -10.114 -1.543 -2.236 1.00 0.00 O ATOM 334 CB VAL A 23 -10.247 1.687 -1.878 1.00 0.00 C ATOM 335 CG1 VAL A 23 -11.149 2.042 -0.719 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.870 1.270 -1.372 1.00 0.00 C ATOM 0 H VAL A 23 -12.460 1.888 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.086 0.481 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.145 2.590 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.662 2.791 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.089 2.442 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.348 1.149 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.479 2.039 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.951 0.327 -0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.194 1.146 -2.218 1.00 0.00 H new ATOM 346 N PRO A 24 -12.212 -1.149 -1.568 1.00 0.00 N ATOM 347 CA PRO A 24 -12.349 -2.486 -0.979 1.00 0.00 C ATOM 348 C PRO A 24 -12.204 -3.546 -2.059 1.00 0.00 C ATOM 349 O PRO A 24 -11.582 -4.583 -1.834 1.00 0.00 O ATOM 350 CB PRO A 24 -13.767 -2.502 -0.392 1.00 0.00 C ATOM 351 CG PRO A 24 -14.130 -1.069 -0.251 1.00 0.00 C ATOM 352 CD PRO A 24 -13.458 -0.377 -1.396 1.00 0.00 C ATOM 0 HA PRO A 24 -11.590 -2.696 -0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.462 -3.024 -1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.792 -3.014 0.570 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.211 -0.932 -0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.790 -0.669 0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.072 -0.397 -2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.256 0.670 -1.172 1.00 0.00 H new ATOM 360 N VAL A 25 -12.798 -3.254 -3.227 1.00 0.00 N ATOM 361 CA VAL A 25 -12.635 -4.162 -4.366 1.00 0.00 C ATOM 362 C VAL A 25 -11.150 -4.382 -4.651 1.00 0.00 C ATOM 363 O VAL A 25 -10.649 -5.475 -4.494 1.00 0.00 O ATOM 364 CB VAL A 25 -13.342 -3.660 -5.654 1.00 0.00 C ATOM 365 CG1 VAL A 25 -13.067 -4.595 -6.831 1.00 0.00 C ATOM 366 CG2 VAL A 25 -14.837 -3.564 -5.425 1.00 0.00 C ATOM 0 H VAL A 25 -13.373 -2.430 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.112 -5.101 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.945 -2.673 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.574 -4.220 -7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.994 -4.640 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.437 -5.593 -6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.323 -3.211 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.229 -4.547 -5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.037 -2.865 -4.613 1.00 0.00 H new ATOM 376 N LEU A 26 -10.456 -3.307 -4.957 1.00 0.00 N ATOM 377 CA LEU A 26 -9.052 -3.343 -5.368 1.00 0.00 C ATOM 378 C LEU A 26 -8.148 -3.904 -4.223 1.00 0.00 C ATOM 379 O LEU A 26 -7.519 -4.957 -4.349 1.00 0.00 O ATOM 380 CB LEU A 26 -8.663 -1.885 -5.748 1.00 0.00 C ATOM 381 CG LEU A 26 -7.466 -1.657 -6.693 1.00 0.00 C ATOM 382 CD1 LEU A 26 -6.166 -2.190 -6.114 1.00 0.00 C ATOM 383 CD2 LEU A 26 -7.758 -2.295 -8.037 1.00 0.00 C ATOM 0 H LEU A 26 -10.848 -2.366 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.907 -4.009 -6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.536 -1.419 -6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.460 -1.346 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.333 -0.582 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.353 -2.006 -6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.953 -1.685 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.258 -3.262 -5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.913 -2.135 -8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.919 -3.365 -7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.652 -1.844 -8.467 1.00 0.00 H new ATOM 395 N LEU A 27 -8.027 -3.081 -3.214 1.00 0.00 N ATOM 396 CA LEU A 27 -7.304 -3.444 -1.995 1.00 0.00 C ATOM 397 C LEU A 27 -7.493 -4.903 -1.545 1.00 0.00 C ATOM 398 O LEU A 27 -6.513 -5.593 -1.306 1.00 0.00 O ATOM 399 CB LEU A 27 -7.676 -2.472 -0.876 1.00 0.00 C ATOM 400 CG LEU A 27 -7.425 -2.909 0.558 1.00 0.00 C ATOM 401 CD1 LEU A 27 -5.943 -3.065 0.860 1.00 0.00 C ATOM 402 CD2 LEU A 27 -8.066 -1.933 1.508 1.00 0.00 C ATOM 0 H LEU A 27 -8.421 -2.140 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.243 -3.365 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.129 -1.544 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.736 -2.239 -0.974 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.877 -3.892 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.814 -3.378 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.514 -3.817 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.438 -2.112 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.883 -2.251 2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.640 -0.942 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.140 -1.899 1.325 1.00 0.00 H new ATOM 414 N ASP A 28 -8.710 -5.405 -1.454 1.00 0.00 N ATOM 415 CA ASP A 28 -8.840 -6.759 -0.928 1.00 0.00 C ATOM 416 C ASP A 28 -8.426 -7.824 -1.948 1.00 0.00 C ATOM 417 O ASP A 28 -7.818 -8.830 -1.574 1.00 0.00 O ATOM 418 CB ASP A 28 -10.226 -7.054 -0.348 1.00 0.00 C ATOM 419 CG ASP A 28 -10.243 -8.337 0.462 1.00 0.00 C ATOM 420 OD1 ASP A 28 -9.936 -8.285 1.682 1.00 0.00 O ATOM 421 OD2 ASP A 28 -10.528 -9.413 -0.095 1.00 0.00 O ATOM 0 H ASP A 28 -9.576 -4.935 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.139 -6.811 -0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.539 -6.223 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.950 -7.128 -1.159 1.00 0.00 H new ATOM 426 N ILE A 29 -8.658 -7.558 -3.235 1.00 0.00 N ATOM 427 CA ILE A 29 -8.405 -8.555 -4.280 1.00 0.00 C ATOM 428 C ILE A 29 -6.917 -8.689 -4.526 1.00 0.00 C ATOM 429 O ILE A 29 -6.347 -9.773 -4.451 1.00 0.00 O ATOM 430 CB ILE A 29 -9.132 -8.263 -5.653 1.00 0.00 C ATOM 431 CG1 ILE A 29 -8.708 -6.900 -6.233 1.00 0.00 C ATOM 432 CG2 ILE A 29 -10.647 -8.359 -5.512 1.00 0.00 C ATOM 433 CD1 ILE A 29 -9.260 -6.528 -7.589 1.00 0.00 C ATOM 0 H ILE A 29 -9.018 -6.668 -3.578 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.825 -9.486 -3.898 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.820 -9.032 -6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.000 -6.125 -5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.620 -6.882 -6.294 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.116 -8.153 -6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.919 -9.362 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.991 -7.631 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.883 -5.547 -7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.947 -7.269 -8.325 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.349 -6.500 -7.543 1.00 0.00 H new ATOM 445 N PHE A 30 -6.277 -7.564 -4.735 1.00 0.00 N ATOM 446 CA PHE A 30 -4.897 -7.518 -5.101 1.00 0.00 C ATOM 447 C PHE A 30 -4.002 -7.892 -3.966 1.00 0.00 C ATOM 448 O PHE A 30 -2.895 -8.265 -4.183 1.00 0.00 O ATOM 449 CB PHE A 30 -4.560 -6.153 -5.672 1.00 0.00 C ATOM 450 CG PHE A 30 -4.896 -5.968 -7.138 1.00 0.00 C ATOM 451 CD1 PHE A 30 -5.433 -6.996 -7.911 1.00 0.00 C ATOM 452 CD2 PHE A 30 -4.640 -4.761 -7.748 1.00 0.00 C ATOM 453 CE1 PHE A 30 -5.707 -6.801 -9.250 1.00 0.00 C ATOM 454 CE2 PHE A 30 -4.912 -4.561 -9.083 1.00 0.00 C ATOM 455 CZ PHE A 30 -5.445 -5.581 -9.836 1.00 0.00 C ATOM 0 H PHE A 30 -6.714 -6.646 -4.652 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.722 -8.264 -5.876 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.090 -5.395 -5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.494 -5.972 -5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.637 -7.955 -7.458 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.217 -3.954 -7.168 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.126 -7.604 -9.838 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.707 -3.604 -9.539 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.658 -5.427 -10.884 1.00 0.00 H new ATOM 465 N LEU A 31 -4.532 -7.866 -2.776 1.00 0.00 N ATOM 466 CA LEU A 31 -3.788 -8.229 -1.644 1.00 0.00 C ATOM 467 C LEU A 31 -4.055 -9.631 -1.202 1.00 0.00 C ATOM 468 O LEU A 31 -3.127 -10.355 -0.958 1.00 0.00 O ATOM 469 CB LEU A 31 -3.882 -7.171 -0.544 1.00 0.00 C ATOM 470 CG LEU A 31 -3.060 -5.884 -0.758 1.00 0.00 C ATOM 471 CD1 LEU A 31 -1.581 -6.188 -0.955 1.00 0.00 C ATOM 472 CD2 LEU A 31 -3.590 -4.996 -1.879 1.00 0.00 C ATOM 0 H LEU A 31 -5.495 -7.590 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.736 -8.246 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.929 -6.892 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.566 -7.626 0.395 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.175 -5.311 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.035 -5.256 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.194 -6.700 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.454 -6.826 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.961 -4.110 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.576 -5.549 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.612 -4.693 -1.651 1.00 0.00 H new ATOM 484 N GLY A 32 -5.310 -10.046 -1.160 1.00 0.00 N ATOM 485 CA GLY A 32 -5.640 -11.385 -0.723 1.00 0.00 C ATOM 486 C GLY A 32 -5.242 -12.443 -1.736 1.00 0.00 C ATOM 487 O GLY A 32 -4.818 -13.537 -1.371 1.00 0.00 O ATOM 0 H GLY A 32 -6.113 -9.474 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.140 -11.588 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.712 -11.449 -0.538 1.00 0.00 H new ATOM 491 N GLU A 33 -5.364 -12.126 -3.010 1.00 0.00 N ATOM 492 CA GLU A 33 -4.975 -13.058 -4.060 1.00 0.00 C ATOM 493 C GLU A 33 -3.461 -12.933 -4.307 1.00 0.00 C ATOM 494 O GLU A 33 -2.774 -13.902 -4.696 1.00 0.00 O ATOM 495 CB GLU A 33 -5.819 -12.785 -5.303 1.00 0.00 C ATOM 496 CG GLU A 33 -7.307 -12.756 -4.956 1.00 0.00 C ATOM 497 CD GLU A 33 -8.227 -12.510 -6.131 1.00 0.00 C ATOM 498 OE1 GLU A 33 -8.583 -13.472 -6.835 1.00 0.00 O ATOM 499 OE2 GLU A 33 -8.652 -11.357 -6.341 1.00 0.00 O ATOM 0 H GLU A 33 -5.728 -11.234 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.163 -14.091 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.526 -11.833 -5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.631 -13.555 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.577 -13.706 -4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.477 -11.979 -4.211 1.00 0.00 H new ATOM 506 N MET A 34 -2.963 -11.717 -4.038 1.00 0.00 N ATOM 507 CA MET A 34 -1.503 -11.557 -4.022 1.00 0.00 C ATOM 508 C MET A 34 -0.971 -12.539 -3.031 1.00 0.00 C ATOM 509 O MET A 34 -0.124 -13.361 -3.334 1.00 0.00 O ATOM 510 CB MET A 34 -1.108 -10.263 -3.427 1.00 0.00 C ATOM 511 CG MET A 34 0.278 -9.841 -3.809 1.00 0.00 C ATOM 512 SD MET A 34 0.445 -9.791 -5.597 1.00 0.00 S ATOM 513 CE MET A 34 2.158 -9.379 -5.713 1.00 0.00 C ATOM 0 H MET A 34 -3.509 -10.879 -3.840 1.00 0.00 H new ATOM 0 HA MET A 34 -1.144 -11.663 -5.046 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.815 -9.495 -3.740 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.174 -10.333 -2.341 1.00 0.00 H new ATOM 0 HG2 MET A 34 0.495 -8.859 -3.389 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.006 -10.535 -3.388 1.00 0.00 H new ATOM 0 HE1 MET A 34 2.278 -8.492 -6.335 1.00 0.00 H new ATOM 0 HE2 MET A 34 2.553 -9.179 -4.717 1.00 0.00 H new ATOM 0 HE3 MET A 34 2.703 -10.211 -6.159 1.00 0.00 H new ATOM 523 N ASP A 35 -1.593 -12.478 -1.861 1.00 0.00 N ATOM 524 CA ASP A 35 -1.332 -13.255 -0.670 1.00 0.00 C ATOM 525 C ASP A 35 -1.392 -14.748 -0.948 1.00 0.00 C ATOM 526 O ASP A 35 -0.773 -15.548 -0.242 1.00 0.00 O ATOM 527 CB ASP A 35 -2.345 -12.815 0.400 1.00 0.00 C ATOM 528 CG ASP A 35 -2.387 -13.708 1.633 1.00 0.00 C ATOM 529 OD1 ASP A 35 -1.543 -13.562 2.543 1.00 0.00 O ATOM 530 OD2 ASP A 35 -3.302 -14.555 1.729 1.00 0.00 O ATOM 0 H ASP A 35 -2.361 -11.823 -1.715 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.319 -13.072 -0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.107 -11.798 0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.339 -12.787 -0.047 1.00 0.00 H new ATOM 535 N SER A 36 -2.110 -15.114 -1.995 1.00 0.00 N ATOM 536 CA SER A 36 -2.140 -16.487 -2.422 1.00 0.00 C ATOM 537 C SER A 36 -0.741 -16.937 -2.818 1.00 0.00 C ATOM 538 O SER A 36 -0.268 -18.013 -2.442 1.00 0.00 O ATOM 539 CB SER A 36 -3.088 -16.690 -3.578 1.00 0.00 C ATOM 540 OG SER A 36 -4.396 -16.260 -3.234 1.00 0.00 O ATOM 0 H SER A 36 -2.675 -14.478 -2.558 1.00 0.00 H new ATOM 0 HA SER A 36 -2.497 -17.088 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.734 -16.135 -4.447 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.108 -17.743 -3.858 1.00 0.00 H new ATOM 0 HG SER A 36 -4.997 -16.398 -3.996 1.00 0.00 H new ATOM 546 N TYR A 37 -0.064 -16.066 -3.536 1.00 0.00 N ATOM 547 CA TYR A 37 1.308 -16.317 -3.975 1.00 0.00 C ATOM 548 C TYR A 37 2.266 -16.236 -2.819 1.00 0.00 C ATOM 549 O TYR A 37 3.327 -16.804 -2.793 1.00 0.00 O ATOM 550 CB TYR A 37 1.653 -15.353 -5.082 1.00 0.00 C ATOM 551 CG TYR A 37 0.733 -15.634 -6.205 1.00 0.00 C ATOM 552 CD1 TYR A 37 0.884 -16.790 -6.900 1.00 0.00 C ATOM 553 CD2 TYR A 37 -0.329 -14.819 -6.496 1.00 0.00 C ATOM 554 CE1 TYR A 37 0.044 -17.176 -7.870 1.00 0.00 C ATOM 555 CE2 TYR A 37 -1.213 -15.171 -7.497 1.00 0.00 C ATOM 556 CZ TYR A 37 -1.026 -16.366 -8.188 1.00 0.00 C ATOM 557 OH TYR A 37 -1.910 -16.745 -9.176 1.00 0.00 O ATOM 0 H TYR A 37 -0.440 -15.166 -3.835 1.00 0.00 H new ATOM 0 HA TYR A 37 1.393 -17.330 -4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.544 -14.323 -4.743 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.690 -15.479 -5.393 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.721 -17.429 -6.660 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.475 -13.903 -5.943 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.202 -18.107 -8.395 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.043 -14.525 -7.742 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.606 -16.061 -9.272 1.00 0.00 H new ATOM 567 N ILE A 38 1.859 -15.552 -1.863 1.00 0.00 N ATOM 568 CA ILE A 38 2.595 -15.470 -0.629 1.00 0.00 C ATOM 569 C ILE A 38 2.542 -16.796 0.094 1.00 0.00 C ATOM 570 O ILE A 38 3.559 -17.299 0.536 1.00 0.00 O ATOM 571 CB ILE A 38 2.166 -14.279 0.257 1.00 0.00 C ATOM 572 CG1 ILE A 38 2.718 -13.002 -0.346 1.00 0.00 C ATOM 573 CG2 ILE A 38 2.679 -14.424 1.688 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.159 -12.576 -1.696 1.00 0.00 C ATOM 0 H ILE A 38 0.995 -15.010 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 38 3.637 -15.263 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 38 1.077 -14.253 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.547 -12.191 0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.798 -13.114 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.356 -13.567 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.280 -15.338 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.768 -14.471 1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.638 -11.649 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.354 -13.355 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.084 -12.418 -1.611 1.00 0.00 H new ATOM 586 N GLY A 39 1.379 -17.378 0.159 1.00 0.00 N ATOM 587 CA GLY A 39 1.275 -18.680 0.746 1.00 0.00 C ATOM 588 C GLY A 39 2.017 -19.725 -0.077 1.00 0.00 C ATOM 589 O GLY A 39 3.032 -20.284 0.357 1.00 0.00 O ATOM 0 H GLY A 39 0.504 -16.979 -0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.680 -18.657 1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.225 -18.960 0.829 1.00 0.00 H new ATOM 593 N THR A 40 1.591 -19.865 -1.310 1.00 0.00 N ATOM 594 CA THR A 40 2.033 -20.901 -2.180 1.00 0.00 C ATOM 595 C THR A 40 3.456 -20.634 -2.671 1.00 0.00 C ATOM 596 O THR A 40 4.381 -21.371 -2.340 1.00 0.00 O ATOM 597 CB THR A 40 1.053 -20.974 -3.364 1.00 0.00 C ATOM 598 OG1 THR A 40 -0.290 -21.019 -2.850 1.00 0.00 O ATOM 599 CG2 THR A 40 1.305 -22.196 -4.225 1.00 0.00 C ATOM 0 H THR A 40 0.909 -19.238 -1.737 1.00 0.00 H new ATOM 0 HA THR A 40 2.052 -21.852 -1.647 1.00 0.00 H new ATOM 0 HB THR A 40 1.199 -20.092 -3.988 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.608 -20.107 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.593 -22.213 -5.050 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.320 -22.159 -4.621 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.183 -23.097 -3.623 1.00 0.00 H new ATOM 607 N LEU A 41 3.643 -19.547 -3.406 1.00 0.00 N ATOM 608 CA LEU A 41 4.897 -19.209 -4.055 1.00 0.00 C ATOM 609 C LEU A 41 6.026 -18.898 -3.078 1.00 0.00 C ATOM 610 O LEU A 41 7.153 -19.060 -3.421 1.00 0.00 O ATOM 611 CB LEU A 41 4.709 -17.994 -4.911 1.00 0.00 C ATOM 612 CG LEU A 41 3.929 -18.049 -6.186 1.00 0.00 C ATOM 613 CD1 LEU A 41 4.875 -18.146 -7.367 1.00 0.00 C ATOM 614 CD2 LEU A 41 2.918 -19.187 -6.238 1.00 0.00 C ATOM 0 H LEU A 41 2.907 -18.860 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 41 5.177 -20.088 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.240 -17.235 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.704 -17.628 -5.164 1.00 0.00 H new ATOM 0 HG LEU A 41 3.354 -17.124 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.300 -18.186 -8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.528 -17.273 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.479 -19.049 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.391 -19.162 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.437 -20.140 -6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.201 -19.074 -5.425 1.00 0.00 H new ATOM 626 N THR A 42 5.737 -18.466 -1.864 1.00 0.00 N ATOM 627 CA THR A 42 6.840 -18.209 -0.922 1.00 0.00 C ATOM 628 C THR A 42 7.391 -19.515 -0.414 1.00 0.00 C ATOM 629 O THR A 42 8.597 -19.725 -0.256 1.00 0.00 O ATOM 630 CB THR A 42 6.346 -17.332 0.220 1.00 0.00 C ATOM 631 OG1 THR A 42 5.919 -16.067 -0.310 1.00 0.00 O ATOM 632 CG2 THR A 42 7.370 -17.144 1.333 1.00 0.00 C ATOM 0 H THR A 42 4.798 -18.289 -1.507 1.00 0.00 H new ATOM 0 HA THR A 42 7.645 -17.679 -1.432 1.00 0.00 H new ATOM 0 HB THR A 42 5.506 -17.846 0.687 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.598 -15.498 0.420 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.948 -16.508 2.112 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.629 -18.114 1.757 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.266 -16.675 0.927 1.00 0.00 H new ATOM 640 N GLU A 43 6.481 -20.389 -0.214 1.00 0.00 N ATOM 641 CA GLU A 43 6.803 -21.751 0.163 1.00 0.00 C ATOM 642 C GLU A 43 7.265 -22.580 -1.041 1.00 0.00 C ATOM 643 O GLU A 43 7.566 -23.759 -0.909 1.00 0.00 O ATOM 644 CB GLU A 43 5.658 -22.430 0.893 1.00 0.00 C ATOM 645 CG GLU A 43 5.347 -21.778 2.219 1.00 0.00 C ATOM 646 CD GLU A 43 4.374 -22.584 3.035 1.00 0.00 C ATOM 647 OE1 GLU A 43 4.812 -23.510 3.746 1.00 0.00 O ATOM 648 OE2 GLU A 43 3.151 -22.318 2.973 1.00 0.00 O ATOM 0 H GLU A 43 5.482 -20.201 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 43 7.638 -21.691 0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.768 -22.409 0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.907 -23.478 1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.271 -21.647 2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.936 -20.783 2.045 1.00 0.00 H new ATOM 655 N LEU A 44 7.315 -21.960 -2.211 1.00 0.00 N ATOM 656 CA LEU A 44 7.753 -22.619 -3.421 1.00 0.00 C ATOM 657 C LEU A 44 8.958 -21.925 -4.090 1.00 0.00 C ATOM 658 O LEU A 44 9.706 -22.552 -4.843 1.00 0.00 O ATOM 659 CB LEU A 44 6.560 -22.739 -4.384 1.00 0.00 C ATOM 660 CG LEU A 44 5.483 -23.758 -4.010 1.00 0.00 C ATOM 661 CD1 LEU A 44 4.463 -23.881 -5.122 1.00 0.00 C ATOM 662 CD2 LEU A 44 6.091 -25.109 -3.674 1.00 0.00 C ATOM 0 H LEU A 44 7.051 -20.984 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 44 8.111 -23.613 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.089 -21.760 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.943 -22.994 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 44 4.974 -23.399 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.703 -24.610 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.991 -22.913 -5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.959 -24.208 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.298 -25.810 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.639 -25.486 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.773 -25.001 -2.830 1.00 0.00 H new ATOM 674 N GLN A 45 9.154 -20.650 -3.805 1.00 0.00 N ATOM 675 CA GLN A 45 10.191 -19.841 -4.437 1.00 0.00 C ATOM 676 C GLN A 45 10.414 -18.555 -3.669 1.00 0.00 C ATOM 677 O GLN A 45 9.791 -18.305 -2.646 1.00 0.00 O ATOM 678 CB GLN A 45 9.782 -19.508 -5.881 1.00 0.00 C ATOM 679 CG GLN A 45 8.637 -18.507 -6.047 1.00 0.00 C ATOM 680 CD GLN A 45 8.356 -18.223 -7.508 1.00 0.00 C ATOM 681 OE1 GLN A 45 8.536 -19.084 -8.370 1.00 0.00 O ATOM 682 NE2 GLN A 45 7.960 -17.009 -7.810 1.00 0.00 N ATOM 0 H GLN A 45 8.595 -20.139 -3.122 1.00 0.00 H new ATOM 0 HA GLN A 45 11.119 -20.413 -4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.656 -19.118 -6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.501 -20.436 -6.380 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.738 -18.899 -5.572 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.888 -17.577 -5.536 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.820 -16.320 -7.071 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.792 -16.755 -8.783 1.00 0.00 H new ATOM 691 N GLY A 46 11.298 -17.735 -4.201 1.00 0.00 N ATOM 692 CA GLY A 46 11.617 -16.429 -3.662 1.00 0.00 C ATOM 693 C GLY A 46 10.595 -15.394 -4.052 1.00 0.00 C ATOM 694 O GLY A 46 10.931 -14.256 -4.235 1.00 0.00 O ATOM 0 H GLY A 46 11.828 -17.965 -5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.676 -16.490 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.600 -16.120 -4.017 1.00 0.00 H new ATOM 698 N SER A 47 9.378 -15.880 -4.233 1.00 0.00 N ATOM 699 CA SER A 47 8.196 -15.139 -4.520 1.00 0.00 C ATOM 700 C SER A 47 8.237 -13.764 -3.899 1.00 0.00 C ATOM 701 O SER A 47 7.944 -12.823 -4.557 1.00 0.00 O ATOM 702 CB SER A 47 7.069 -15.903 -3.925 1.00 0.00 C ATOM 703 OG SER A 47 5.818 -15.316 -4.225 1.00 0.00 O ATOM 0 H SER A 47 9.195 -16.882 -4.175 1.00 0.00 H new ATOM 0 HA SER A 47 8.091 -15.008 -5.597 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.088 -16.927 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.196 -15.954 -2.844 1.00 0.00 H new ATOM 0 HG SER A 47 5.238 -15.362 -3.437 1.00 0.00 H new ATOM 709 N GLU A 48 8.270 -13.751 -2.588 1.00 0.00 N ATOM 710 CA GLU A 48 8.535 -12.520 -1.794 1.00 0.00 C ATOM 711 C GLU A 48 9.222 -11.377 -2.651 1.00 0.00 C ATOM 712 O GLU A 48 8.748 -10.244 -2.704 1.00 0.00 O ATOM 713 CB GLU A 48 9.477 -12.950 -0.678 1.00 0.00 C ATOM 714 CG GLU A 48 8.948 -14.120 0.153 1.00 0.00 C ATOM 715 CD GLU A 48 10.036 -14.740 1.003 1.00 0.00 C ATOM 716 OE1 GLU A 48 10.344 -14.232 2.089 1.00 0.00 O ATOM 717 OE2 GLU A 48 10.632 -15.747 0.564 1.00 0.00 O ATOM 0 H GLU A 48 8.117 -14.582 -2.017 1.00 0.00 H new ATOM 0 HA GLU A 48 7.597 -12.103 -1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.438 -13.228 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.659 -12.100 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.138 -13.774 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.528 -14.877 -0.510 1.00 0.00 H new ATOM 724 N GLN A 49 10.307 -11.754 -3.338 1.00 0.00 N ATOM 725 CA GLN A 49 11.014 -10.867 -4.298 1.00 0.00 C ATOM 726 C GLN A 49 10.023 -10.266 -5.340 1.00 0.00 C ATOM 727 O GLN A 49 9.906 -9.051 -5.500 1.00 0.00 O ATOM 728 CB GLN A 49 12.057 -11.692 -5.061 1.00 0.00 C ATOM 729 CG GLN A 49 12.757 -10.919 -6.161 1.00 0.00 C ATOM 730 CD GLN A 49 13.383 -11.826 -7.181 1.00 0.00 C ATOM 731 OE1 GLN A 49 14.539 -12.223 -7.066 1.00 0.00 O ATOM 732 NE2 GLN A 49 12.625 -12.151 -8.205 1.00 0.00 N ATOM 0 H GLN A 49 10.727 -12.679 -3.251 1.00 0.00 H new ATOM 0 HA GLN A 49 11.480 -10.058 -3.736 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.803 -12.060 -4.356 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.570 -12.565 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.041 -10.261 -6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.526 -10.282 -5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.669 -11.800 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.993 -12.754 -8.941 1.00 0.00 H new ATOM 741 N LEU A 50 9.319 -11.161 -6.018 1.00 0.00 N ATOM 742 CA LEU A 50 8.307 -10.935 -7.015 1.00 0.00 C ATOM 743 C LEU A 50 7.194 -10.101 -6.452 1.00 0.00 C ATOM 744 O LEU A 50 6.872 -9.060 -7.004 1.00 0.00 O ATOM 745 CB LEU A 50 7.762 -12.312 -7.425 1.00 0.00 C ATOM 746 CG LEU A 50 6.621 -12.387 -8.434 1.00 0.00 C ATOM 747 CD1 LEU A 50 7.109 -12.087 -9.839 1.00 0.00 C ATOM 748 CD2 LEU A 50 5.951 -13.751 -8.358 1.00 0.00 C ATOM 0 H LEU A 50 9.464 -12.158 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 50 8.726 -10.404 -7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.595 -12.889 -7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.432 -12.818 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 50 5.883 -11.625 -8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.273 -12.148 -10.535 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.534 -11.084 -9.870 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.871 -12.813 -10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.137 -13.797 -9.081 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.681 -14.528 -8.583 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.554 -13.906 -7.355 1.00 0.00 H new ATOM 760 N LEU A 51 6.681 -10.508 -5.301 1.00 0.00 N ATOM 761 CA LEU A 51 5.484 -9.908 -4.740 1.00 0.00 C ATOM 762 C LEU A 51 5.644 -8.441 -4.433 1.00 0.00 C ATOM 763 O LEU A 51 4.681 -7.705 -4.414 1.00 0.00 O ATOM 764 CB LEU A 51 4.961 -10.680 -3.528 1.00 0.00 C ATOM 765 CG LEU A 51 5.821 -10.691 -2.258 1.00 0.00 C ATOM 766 CD1 LEU A 51 5.708 -9.412 -1.439 1.00 0.00 C ATOM 767 CD2 LEU A 51 5.472 -11.871 -1.420 1.00 0.00 C ATOM 0 H LEU A 51 7.080 -11.257 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 51 4.729 -9.979 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.985 -10.271 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.802 -11.714 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 51 6.859 -10.756 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.342 -9.488 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.029 -8.563 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.672 -9.267 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.087 -11.873 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.420 -11.821 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.654 -12.785 -1.985 1.00 0.00 H new ATOM 779 N TYR A 52 6.856 -8.001 -4.376 1.00 0.00 N ATOM 780 CA TYR A 52 7.215 -6.685 -3.976 1.00 0.00 C ATOM 781 C TYR A 52 7.111 -5.736 -5.123 1.00 0.00 C ATOM 782 O TYR A 52 6.590 -4.653 -4.987 1.00 0.00 O ATOM 783 CB TYR A 52 8.633 -6.785 -3.562 1.00 0.00 C ATOM 784 CG TYR A 52 9.248 -5.499 -3.085 1.00 0.00 C ATOM 785 CD1 TYR A 52 8.686 -4.774 -2.048 1.00 0.00 C ATOM 786 CD2 TYR A 52 10.405 -5.025 -3.669 1.00 0.00 C ATOM 787 CE1 TYR A 52 9.266 -3.601 -1.603 1.00 0.00 C ATOM 788 CE2 TYR A 52 11.002 -3.858 -3.232 1.00 0.00 C ATOM 789 CZ TYR A 52 10.429 -3.152 -2.196 1.00 0.00 C ATOM 790 OH TYR A 52 11.015 -1.988 -1.757 1.00 0.00 O ATOM 0 H TYR A 52 7.661 -8.579 -4.619 1.00 0.00 H new ATOM 0 HA TYR A 52 6.562 -6.318 -3.184 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.712 -7.525 -2.766 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.216 -7.159 -4.404 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.781 -5.130 -1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.852 -5.576 -4.483 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.813 -3.041 -0.798 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.909 -3.502 -3.698 1.00 0.00 H new ATOM 0 HH TYR A 52 10.821 -1.863 -0.805 1.00 0.00 H new ATOM 800 N LEU A 53 7.570 -6.199 -6.260 1.00 0.00 N ATOM 801 CA LEU A 53 7.487 -5.237 -7.355 1.00 0.00 C ATOM 802 C LEU A 53 6.049 -5.121 -7.750 1.00 0.00 C ATOM 803 O LEU A 53 5.555 -4.059 -8.084 1.00 0.00 O ATOM 804 CB LEU A 53 8.325 -5.561 -8.590 1.00 0.00 C ATOM 805 CG LEU A 53 9.569 -6.394 -8.403 1.00 0.00 C ATOM 806 CD1 LEU A 53 9.188 -7.846 -8.547 1.00 0.00 C ATOM 807 CD2 LEU A 53 10.621 -5.998 -9.416 1.00 0.00 C ATOM 0 H LEU A 53 7.962 -7.120 -6.454 1.00 0.00 H new ATOM 0 HA LEU A 53 7.905 -4.305 -6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.682 -6.076 -9.304 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.621 -4.618 -9.050 1.00 0.00 H new ATOM 0 HG LEU A 53 9.994 -6.228 -7.413 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.073 -8.469 -8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.447 -8.104 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.769 -8.016 -9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.514 -6.606 -9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.234 -6.156 -10.423 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.874 -4.946 -9.286 1.00 0.00 H new ATOM 819 N LYS A 54 5.367 -6.223 -7.647 1.00 0.00 N ATOM 820 CA LYS A 54 4.003 -6.248 -8.057 1.00 0.00 C ATOM 821 C LYS A 54 3.002 -5.662 -7.114 1.00 0.00 C ATOM 822 O LYS A 54 2.225 -4.845 -7.532 1.00 0.00 O ATOM 823 CB LYS A 54 3.533 -7.533 -8.700 1.00 0.00 C ATOM 824 CG LYS A 54 4.362 -8.743 -8.373 1.00 0.00 C ATOM 825 CD LYS A 54 5.164 -9.162 -9.583 1.00 0.00 C ATOM 826 CE LYS A 54 6.000 -8.041 -10.173 1.00 0.00 C ATOM 827 NZ LYS A 54 6.764 -8.449 -11.381 1.00 0.00 N ATOM 0 H LYS A 54 5.731 -7.105 -7.286 1.00 0.00 H new ATOM 0 HA LYS A 54 4.041 -5.523 -8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.504 -7.721 -8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.523 -7.399 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.031 -8.522 -7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.716 -9.561 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.820 -9.987 -9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.484 -9.538 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.347 -7.207 -10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.696 -7.680 -9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.313 -7.640 -11.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.411 -9.226 -11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.103 -8.767 -12.118 1.00 0.00 H new ATOM 841 N GLU A 55 3.082 -5.994 -5.856 1.00 0.00 N ATOM 842 CA GLU A 55 2.014 -5.444 -5.035 1.00 0.00 C ATOM 843 C GLU A 55 2.153 -3.936 -4.961 1.00 0.00 C ATOM 844 O GLU A 55 1.186 -3.200 -5.050 1.00 0.00 O ATOM 845 CB GLU A 55 1.894 -6.048 -3.638 1.00 0.00 C ATOM 846 CG GLU A 55 3.018 -5.737 -2.671 1.00 0.00 C ATOM 847 CD GLU A 55 2.662 -6.244 -1.302 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.810 -5.601 -0.646 1.00 0.00 O ATOM 849 OE2 GLU A 55 3.189 -7.294 -0.896 1.00 0.00 O ATOM 0 H GLU A 55 3.787 -6.576 -5.403 1.00 0.00 H new ATOM 0 HA GLU A 55 1.084 -5.719 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.959 -5.704 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.820 -7.131 -3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.943 -6.201 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.194 -4.662 -2.637 1.00 0.00 H new ATOM 856 N ILE A 56 3.374 -3.503 -4.882 1.00 0.00 N ATOM 857 CA ILE A 56 3.535 -2.074 -4.689 1.00 0.00 C ATOM 858 C ILE A 56 3.428 -1.248 -5.977 1.00 0.00 C ATOM 859 O ILE A 56 2.980 -0.114 -5.930 1.00 0.00 O ATOM 860 CB ILE A 56 4.766 -1.647 -3.876 1.00 0.00 C ATOM 861 CG1 ILE A 56 6.037 -1.825 -4.694 1.00 0.00 C ATOM 862 CG2 ILE A 56 4.842 -2.417 -2.566 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.299 -1.568 -3.920 1.00 0.00 C ATOM 0 H ILE A 56 4.225 -4.062 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 56 2.669 -1.839 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 56 4.668 -0.589 -3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.065 -2.841 -5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.004 -1.151 -5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.722 -2.098 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.947 -2.221 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.912 -3.484 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.161 -1.715 -4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.295 -0.543 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.357 -2.259 -3.079 1.00 0.00 H new ATOM 875 N SER A 57 3.807 -1.798 -7.112 1.00 0.00 N ATOM 876 CA SER A 57 3.761 -1.030 -8.351 1.00 0.00 C ATOM 877 C SER A 57 2.440 -1.306 -9.070 1.00 0.00 C ATOM 878 O SER A 57 1.917 -0.481 -9.810 1.00 0.00 O ATOM 879 CB SER A 57 4.974 -1.366 -9.244 1.00 0.00 C ATOM 880 OG SER A 57 5.057 -0.529 -10.390 1.00 0.00 O ATOM 0 H SER A 57 4.145 -2.755 -7.209 1.00 0.00 H new ATOM 0 HA SER A 57 3.814 0.034 -8.122 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.889 -1.268 -8.660 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.909 -2.406 -9.562 1.00 0.00 H new ATOM 0 HG SER A 57 5.841 -0.780 -10.922 1.00 0.00 H new ATOM 886 N HIS A 58 1.960 -2.497 -8.900 1.00 0.00 N ATOM 887 CA HIS A 58 0.717 -2.882 -9.461 1.00 0.00 C ATOM 888 C HIS A 58 -0.458 -2.498 -8.562 1.00 0.00 C ATOM 889 O HIS A 58 -1.200 -1.588 -8.932 1.00 0.00 O ATOM 890 CB HIS A 58 0.811 -4.335 -9.988 1.00 0.00 C ATOM 891 CG HIS A 58 -0.317 -5.276 -9.742 1.00 0.00 C ATOM 892 ND1 HIS A 58 -0.438 -5.895 -8.532 1.00 0.00 N ATOM 893 CD2 HIS A 58 -1.233 -5.778 -10.596 1.00 0.00 C ATOM 894 CE1 HIS A 58 -1.400 -6.765 -8.669 1.00 0.00 C ATOM 895 NE2 HIS A 58 -1.916 -6.741 -9.903 1.00 0.00 N ATOM 0 H HIS A 58 2.427 -3.229 -8.364 1.00 0.00 H new ATOM 0 HA HIS A 58 0.482 -2.305 -10.355 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.964 -4.283 -11.066 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.709 -4.781 -9.560 1.00 0.00 H new ATOM 0 HD1 HIS A 58 0.112 -5.714 -7.692 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.395 -5.480 -11.621 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -1.738 -7.424 -7.883 1.00 0.00 H new ATOM 903 N ALA A 59 -0.623 -3.021 -7.347 1.00 0.00 N ATOM 904 CA ALA A 59 -1.773 -2.782 -6.491 1.00 0.00 C ATOM 905 C ALA A 59 -1.675 -1.437 -5.784 1.00 0.00 C ATOM 906 O ALA A 59 -2.542 -0.575 -5.968 1.00 0.00 O ATOM 907 CB ALA A 59 -1.879 -3.897 -5.465 1.00 0.00 C ATOM 0 H ALA A 59 0.066 -3.642 -6.923 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.665 -2.765 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.741 -3.719 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.999 -4.852 -5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.973 -3.921 -4.859 1.00 0.00 H new ATOM 913 N LEU A 60 -0.617 -1.240 -4.985 1.00 0.00 N ATOM 914 CA LEU A 60 -0.461 0.006 -4.234 1.00 0.00 C ATOM 915 C LEU A 60 -0.324 1.186 -5.118 1.00 0.00 C ATOM 916 O LEU A 60 -0.973 2.171 -4.909 1.00 0.00 O ATOM 917 CB LEU A 60 0.680 0.013 -3.235 1.00 0.00 C ATOM 918 CG LEU A 60 0.446 -0.697 -1.914 1.00 0.00 C ATOM 919 CD1 LEU A 60 0.279 -2.190 -2.096 1.00 0.00 C ATOM 920 CD2 LEU A 60 1.577 -0.362 -0.978 1.00 0.00 C ATOM 0 H LEU A 60 0.132 -1.919 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.389 0.069 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.550 -0.438 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.936 1.051 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.491 -0.348 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.114 -2.659 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.576 -2.384 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.179 -2.604 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.421 -0.866 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.520 -0.693 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.610 0.716 -0.818 1.00 0.00 H new ATOM 932 N LYS A 61 0.477 1.081 -6.135 1.00 0.00 N ATOM 933 CA LYS A 61 0.685 2.206 -7.014 1.00 0.00 C ATOM 934 C LYS A 61 -0.622 2.582 -7.698 1.00 0.00 C ATOM 935 O LYS A 61 -0.855 3.747 -7.980 1.00 0.00 O ATOM 936 CB LYS A 61 1.772 1.897 -8.013 1.00 0.00 C ATOM 937 CG LYS A 61 2.392 3.073 -8.763 1.00 0.00 C ATOM 938 CD LYS A 61 3.479 3.791 -7.945 1.00 0.00 C ATOM 939 CE LYS A 61 2.958 4.787 -6.902 1.00 0.00 C ATOM 940 NZ LYS A 61 2.312 5.962 -7.526 1.00 0.00 N ATOM 0 H LYS A 61 0.996 0.238 -6.381 1.00 0.00 H new ATOM 0 HA LYS A 61 1.013 3.065 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.571 1.372 -7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.365 1.204 -8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.823 2.716 -9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.609 3.785 -9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.084 3.040 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.139 4.321 -8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.244 4.286 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.785 5.120 -6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.872 6.548 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.026 6.522 -8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.583 5.643 -8.196 1.00 0.00 H new ATOM 954 N SER A 62 -1.541 1.638 -7.808 1.00 0.00 N ATOM 955 CA SER A 62 -2.812 1.918 -8.392 1.00 0.00 C ATOM 956 C SER A 62 -3.785 2.524 -7.359 1.00 0.00 C ATOM 957 O SER A 62 -4.242 3.665 -7.497 1.00 0.00 O ATOM 958 CB SER A 62 -3.357 0.654 -9.062 1.00 0.00 C ATOM 959 OG SER A 62 -2.558 0.289 -10.178 1.00 0.00 O ATOM 0 H SER A 62 -1.417 0.675 -7.496 1.00 0.00 H new ATOM 0 HA SER A 62 -2.697 2.677 -9.166 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.379 -0.164 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.385 0.822 -9.384 1.00 0.00 H new ATOM 0 HG SER A 62 -2.163 -0.594 -10.023 1.00 0.00 H new ATOM 965 N SER A 63 -3.982 1.819 -6.264 1.00 0.00 N ATOM 966 CA SER A 63 -4.944 2.182 -5.266 1.00 0.00 C ATOM 967 C SER A 63 -4.440 3.353 -4.450 1.00 0.00 C ATOM 968 O SER A 63 -5.217 4.160 -4.013 1.00 0.00 O ATOM 969 CB SER A 63 -5.210 0.975 -4.358 1.00 0.00 C ATOM 970 OG SER A 63 -6.260 1.218 -3.439 1.00 0.00 O ATOM 0 H SER A 63 -3.466 0.966 -6.047 1.00 0.00 H new ATOM 0 HA SER A 63 -5.873 2.480 -5.752 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.459 0.109 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.301 0.727 -3.811 1.00 0.00 H new ATOM 0 HG SER A 63 -6.195 0.586 -2.693 1.00 0.00 H new ATOM 976 N ALA A 64 -3.145 3.438 -4.243 1.00 0.00 N ATOM 977 CA ALA A 64 -2.598 4.516 -3.432 1.00 0.00 C ATOM 978 C ALA A 64 -2.383 5.762 -4.264 1.00 0.00 C ATOM 979 O ALA A 64 -2.228 6.817 -3.753 1.00 0.00 O ATOM 980 CB ALA A 64 -1.330 4.113 -2.692 1.00 0.00 C ATOM 0 H ALA A 64 -2.455 2.786 -4.617 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.339 4.741 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.968 4.957 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.546 3.275 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.567 3.818 -3.412 1.00 0.00 H new ATOM 986 N ALA A 65 -2.367 5.644 -5.558 1.00 0.00 N ATOM 987 CA ALA A 65 -2.314 6.836 -6.409 1.00 0.00 C ATOM 988 C ALA A 65 -3.654 7.554 -6.343 1.00 0.00 C ATOM 989 O ALA A 65 -3.750 8.759 -6.564 1.00 0.00 O ATOM 990 CB ALA A 65 -2.012 6.487 -7.849 1.00 0.00 C ATOM 0 H ALA A 65 -2.389 4.756 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.512 7.476 -6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.982 7.399 -8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.047 5.983 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.789 5.827 -8.234 1.00 0.00 H new ATOM 996 N SER A 66 -4.692 6.795 -6.059 1.00 0.00 N ATOM 997 CA SER A 66 -6.014 7.354 -5.930 1.00 0.00 C ATOM 998 C SER A 66 -6.441 7.515 -4.455 1.00 0.00 C ATOM 999 O SER A 66 -6.825 8.600 -4.041 1.00 0.00 O ATOM 1000 CB SER A 66 -7.010 6.484 -6.696 1.00 0.00 C ATOM 1001 OG SER A 66 -6.575 6.289 -8.033 1.00 0.00 O ATOM 0 H SER A 66 -4.641 5.787 -5.913 1.00 0.00 H new ATOM 0 HA SER A 66 -6.001 8.356 -6.358 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.118 5.520 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.992 6.956 -6.692 1.00 0.00 H new ATOM 0 HG SER A 66 -7.223 5.729 -8.509 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.282 6.470 -3.642 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.886 6.518 -2.284 1.00 0.00 C ATOM 1009 C PHE A 67 -5.799 6.388 -1.182 1.00 0.00 C ATOM 1010 O PHE A 67 -5.992 5.877 -0.097 1.00 0.00 O ATOM 1011 CB PHE A 67 -8.008 5.456 -2.155 1.00 0.00 C ATOM 1012 CG PHE A 67 -8.833 5.256 -3.401 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -9.729 6.222 -3.819 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -8.694 4.102 -4.163 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -10.475 6.042 -4.964 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -9.439 3.918 -5.311 1.00 0.00 C ATOM 1017 CZ PHE A 67 -10.329 4.891 -5.714 1.00 0.00 C ATOM 0 H PHE A 67 -5.771 5.617 -3.870 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.351 7.493 -2.137 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.557 4.503 -1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.671 5.745 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.846 7.128 -3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.995 3.340 -3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.175 6.803 -5.276 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.325 3.015 -5.892 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.910 4.754 -6.614 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.686 6.943 -1.516 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.529 6.980 -0.605 1.00 0.00 C ATOM 1029 C GLY A 68 -2.471 7.838 -1.210 1.00 0.00 C ATOM 1030 O GLY A 68 -1.278 7.721 -0.913 1.00 0.00 O ATOM 0 H GLY A 68 -4.524 7.390 -2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.826 7.375 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.148 5.973 -0.437 1.00 0.00 H new ATOM 1034 N ALA A 69 -2.998 8.799 -1.936 1.00 0.00 N ATOM 1035 CA ALA A 69 -2.225 9.660 -2.843 1.00 0.00 C ATOM 1036 C ALA A 69 -1.329 10.671 -2.124 1.00 0.00 C ATOM 1037 O ALA A 69 -0.993 11.714 -2.676 1.00 0.00 O ATOM 1038 CB ALA A 69 -3.173 10.381 -3.791 1.00 0.00 C ATOM 0 H ALA A 69 -3.994 9.019 -1.922 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.553 9.005 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.600 11.019 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.731 9.649 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.868 10.992 -3.215 1.00 0.00 H new ATOM 1044 N ASP A 70 -0.897 10.352 -0.926 1.00 0.00 N ATOM 1045 CA ASP A 70 -0.091 11.281 -0.179 1.00 0.00 C ATOM 1046 C ASP A 70 1.306 10.691 0.033 1.00 0.00 C ATOM 1047 O ASP A 70 2.187 10.747 -0.851 1.00 0.00 O ATOM 1048 CB ASP A 70 -0.738 11.705 1.162 1.00 0.00 C ATOM 1049 CG ASP A 70 0.072 12.766 1.879 1.00 0.00 C ATOM 1050 OD1 ASP A 70 0.983 12.417 2.633 1.00 0.00 O ATOM 1051 OD2 ASP A 70 -0.182 13.965 1.665 1.00 0.00 O ATOM 0 H ASP A 70 -1.088 9.468 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.012 12.196 -0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.743 12.083 0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.840 10.832 1.806 1.00 0.00 H new ATOM 1056 N ARG A 71 1.443 9.885 1.050 1.00 0.00 N ATOM 1057 CA ARG A 71 2.673 9.428 1.635 1.00 0.00 C ATOM 1058 C ARG A 71 2.831 7.987 1.345 1.00 0.00 C ATOM 1059 O ARG A 71 3.846 7.540 0.877 1.00 0.00 O ATOM 1060 CB ARG A 71 2.518 9.680 3.138 1.00 0.00 C ATOM 1061 CG ARG A 71 3.708 9.418 4.012 1.00 0.00 C ATOM 1062 CD ARG A 71 3.408 9.829 5.448 1.00 0.00 C ATOM 1063 NE ARG A 71 4.606 9.891 6.294 1.00 0.00 N ATOM 1064 CZ ARG A 71 4.924 10.946 7.069 1.00 0.00 C ATOM 1065 NH1 ARG A 71 4.267 12.105 6.931 1.00 0.00 N ATOM 1066 NH2 ARG A 71 5.937 10.859 7.927 1.00 0.00 N ATOM 0 H ARG A 71 0.630 9.500 1.530 1.00 0.00 H new ATOM 0 HA ARG A 71 3.554 9.938 1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.223 10.720 3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.694 9.064 3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.969 8.360 3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.570 9.972 3.640 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.922 10.805 5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.701 9.121 5.881 1.00 0.00 H new ATOM 0 HE ARG A 71 5.235 9.088 6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.524 12.190 6.238 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.510 12.902 7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.473 9.994 7.998 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.178 11.658 8.514 1.00 0.00 H new ATOM 1080 N LEU A 72 1.792 7.283 1.616 1.00 0.00 N ATOM 1081 CA LEU A 72 1.678 5.894 1.283 1.00 0.00 C ATOM 1082 C LEU A 72 2.033 5.704 -0.200 1.00 0.00 C ATOM 1083 O LEU A 72 2.830 4.863 -0.564 1.00 0.00 O ATOM 1084 CB LEU A 72 0.220 5.556 1.564 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.316 4.244 1.078 1.00 0.00 C ATOM 1086 CD1 LEU A 72 0.492 3.097 1.661 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -1.783 4.129 1.464 1.00 0.00 C ATOM 0 H LEU A 72 0.970 7.660 2.088 1.00 0.00 H new ATOM 0 HA LEU A 72 2.348 5.248 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.073 5.595 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.393 6.346 1.130 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.232 4.193 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.092 2.150 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.533 3.192 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.431 3.125 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.178 3.176 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.879 4.184 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.344 4.945 1.008 1.00 0.00 H new ATOM 1099 N CYS A 73 1.581 6.662 -0.963 1.00 0.00 N ATOM 1100 CA CYS A 73 1.698 6.530 -2.406 1.00 0.00 C ATOM 1101 C CYS A 73 3.142 6.604 -2.865 1.00 0.00 C ATOM 1102 O CYS A 73 3.733 5.605 -3.288 1.00 0.00 O ATOM 1103 CB CYS A 73 0.843 7.551 -3.154 1.00 0.00 C ATOM 1104 SG CYS A 73 0.937 7.431 -4.962 1.00 0.00 S ATOM 0 H CYS A 73 1.140 7.520 -0.632 1.00 0.00 H new ATOM 0 HA CYS A 73 1.316 5.539 -2.652 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.196 7.430 -2.848 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.149 8.553 -2.853 1.00 0.00 H new ATOM 0 HG CYS A 73 2.110 7.822 -5.362 1.00 0.00 H new ATOM 1110 N GLU A 74 3.766 7.726 -2.660 1.00 0.00 N ATOM 1111 CA GLU A 74 5.060 7.896 -3.298 1.00 0.00 C ATOM 1112 C GLU A 74 6.140 7.888 -2.283 1.00 0.00 C ATOM 1113 O GLU A 74 7.267 7.439 -2.532 1.00 0.00 O ATOM 1114 CB GLU A 74 5.060 9.187 -4.090 1.00 0.00 C ATOM 1115 CG GLU A 74 6.337 9.454 -4.847 1.00 0.00 C ATOM 1116 CD GLU A 74 6.633 8.380 -5.870 1.00 0.00 C ATOM 1117 OE1 GLU A 74 5.909 8.309 -6.875 1.00 0.00 O ATOM 1118 OE2 GLU A 74 7.602 7.614 -5.704 1.00 0.00 O ATOM 0 H GLU A 74 3.434 8.505 -2.091 1.00 0.00 H new ATOM 0 HA GLU A 74 5.244 7.067 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.231 9.165 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.876 10.017 -3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.265 10.420 -5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.167 9.521 -4.143 1.00 0.00 H new ATOM 1125 N ARG A 75 5.784 8.344 -1.128 1.00 0.00 N ATOM 1126 CA ARG A 75 6.723 8.421 -0.084 1.00 0.00 C ATOM 1127 C ARG A 75 7.027 6.985 0.342 1.00 0.00 C ATOM 1128 O ARG A 75 8.082 6.712 0.816 1.00 0.00 O ATOM 1129 CB ARG A 75 6.127 9.285 1.048 1.00 0.00 C ATOM 1130 CG ARG A 75 6.891 9.346 2.362 1.00 0.00 C ATOM 1131 CD ARG A 75 6.770 8.050 3.159 1.00 0.00 C ATOM 1132 NE ARG A 75 7.836 7.845 4.138 1.00 0.00 N ATOM 1133 CZ ARG A 75 8.479 6.673 4.292 1.00 0.00 C ATOM 1134 NH1 ARG A 75 8.160 5.649 3.512 1.00 0.00 N ATOM 1135 NH2 ARG A 75 9.456 6.550 5.174 1.00 0.00 N ATOM 0 H ARG A 75 4.845 8.667 -0.893 1.00 0.00 H new ATOM 0 HA ARG A 75 7.658 8.897 -0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.020 10.303 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.123 8.916 1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.943 9.550 2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.515 10.175 2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.811 8.044 3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.763 7.209 2.465 1.00 0.00 H new ATOM 0 HE ARG A 75 8.105 8.628 4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.434 5.754 2.804 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.641 4.756 3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.730 7.349 5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.936 5.657 5.282 1.00 0.00 H new ATOM 1149 N ALA A 76 6.121 6.040 0.140 1.00 0.00 N ATOM 1150 CA ALA A 76 6.465 4.719 0.560 1.00 0.00 C ATOM 1151 C ALA A 76 7.252 4.104 -0.546 1.00 0.00 C ATOM 1152 O ALA A 76 8.388 3.767 -0.387 1.00 0.00 O ATOM 1153 CB ALA A 76 5.238 3.902 0.897 1.00 0.00 C ATOM 0 H ALA A 76 5.202 6.162 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 76 7.055 4.751 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.541 2.904 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.689 4.386 1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.598 3.826 0.018 1.00 0.00 H new ATOM 1159 N ILE A 77 6.659 4.168 -1.698 1.00 0.00 N ATOM 1160 CA ILE A 77 7.265 3.443 -2.800 1.00 0.00 C ATOM 1161 C ILE A 77 8.783 3.681 -3.078 1.00 0.00 C ATOM 1162 O ILE A 77 9.597 2.712 -3.207 1.00 0.00 O ATOM 1163 CB ILE A 77 6.357 3.362 -4.024 1.00 0.00 C ATOM 1164 CG1 ILE A 77 4.995 2.765 -3.592 1.00 0.00 C ATOM 1165 CG2 ILE A 77 6.983 2.503 -5.123 1.00 0.00 C ATOM 1166 CD1 ILE A 77 5.098 1.734 -2.477 1.00 0.00 C ATOM 0 H ILE A 77 5.803 4.681 -1.907 1.00 0.00 H new ATOM 0 HA ILE A 77 7.334 2.422 -2.423 1.00 0.00 H new ATOM 0 HB ILE A 77 6.217 4.364 -4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.342 3.574 -3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.521 2.303 -4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.312 2.465 -5.981 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.936 2.937 -5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.148 1.494 -4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.103 1.363 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.724 0.904 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.541 2.195 -1.595 1.00 0.00 H new ATOM 1178 N ALA A 78 9.214 4.894 -2.862 1.00 0.00 N ATOM 1179 CA ALA A 78 10.563 5.304 -3.188 1.00 0.00 C ATOM 1180 C ALA A 78 11.419 5.224 -1.939 1.00 0.00 C ATOM 1181 O ALA A 78 12.581 4.787 -1.962 1.00 0.00 O ATOM 1182 CB ALA A 78 10.570 6.722 -3.733 1.00 0.00 C ATOM 0 H ALA A 78 8.641 5.633 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 78 10.966 4.641 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.592 7.014 -3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.958 6.769 -4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.165 7.402 -2.984 1.00 0.00 H new ATOM 1188 N ILE A 79 10.773 5.533 -0.840 1.00 0.00 N ATOM 1189 CA ILE A 79 11.419 5.733 0.437 1.00 0.00 C ATOM 1190 C ILE A 79 11.307 4.482 1.287 1.00 0.00 C ATOM 1191 O ILE A 79 11.929 4.361 2.366 1.00 0.00 O ATOM 1192 CB ILE A 79 10.787 6.940 1.120 1.00 0.00 C ATOM 1193 CG1 ILE A 79 10.732 8.085 0.100 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.533 7.366 2.384 1.00 0.00 C ATOM 1195 CD1 ILE A 79 12.066 8.720 -0.255 1.00 0.00 C ATOM 0 H ILE A 79 9.761 5.655 -0.807 1.00 0.00 H new ATOM 0 HA ILE A 79 12.482 5.928 0.295 1.00 0.00 H new ATOM 0 HB ILE A 79 9.784 6.670 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.275 7.709 -0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.074 8.862 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.036 8.230 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.536 6.544 3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.560 7.629 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 79 11.908 9.516 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.522 9.135 0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.726 7.965 -0.681 1.00 0.00 H new ATOM 1207 N ASP A 80 10.813 3.441 0.667 1.00 0.00 N ATOM 1208 CA ASP A 80 10.694 2.160 1.254 1.00 0.00 C ATOM 1209 C ASP A 80 11.716 1.304 0.806 1.00 0.00 C ATOM 1210 O ASP A 80 12.416 0.742 1.643 1.00 0.00 O ATOM 1211 CB ASP A 80 9.288 1.519 1.248 1.00 0.00 C ATOM 1212 CG ASP A 80 8.425 2.006 2.412 1.00 0.00 C ATOM 1213 OD1 ASP A 80 8.264 3.236 2.584 1.00 0.00 O ATOM 1214 OD2 ASP A 80 7.986 1.177 3.229 1.00 0.00 O ATOM 0 H ASP A 80 10.475 3.479 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 80 10.837 2.330 2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.789 1.750 0.307 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.385 0.435 1.299 1.00 0.00 H new ATOM 1219 N LYS A 81 11.840 1.214 -0.531 1.00 0.00 N ATOM 1220 CA LYS A 81 12.950 0.476 -1.059 1.00 0.00 C ATOM 1221 C LYS A 81 14.227 0.912 -0.340 1.00 0.00 C ATOM 1222 O LYS A 81 14.792 0.116 0.437 1.00 0.00 O ATOM 1223 CB LYS A 81 13.055 0.575 -2.591 1.00 0.00 C ATOM 1224 CG LYS A 81 12.685 1.918 -3.198 1.00 0.00 C ATOM 1225 CD LYS A 81 13.040 1.964 -4.673 1.00 0.00 C ATOM 1226 CE LYS A 81 12.503 3.211 -5.359 1.00 0.00 C ATOM 1227 NZ LYS A 81 11.034 3.129 -5.589 1.00 0.00 N ATOM 0 H LYS A 81 11.209 1.628 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 81 12.791 -0.585 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.078 0.337 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.413 -0.189 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.617 2.097 -3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.206 2.716 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.124 1.929 -4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.640 1.079 -5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.727 4.086 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.013 3.349 -6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.679 4.056 -5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.837 2.419 -6.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.559 2.855 -4.705 1.00 0.00 H new ATOM 1241 N LYS A 82 14.639 2.178 -0.560 1.00 0.00 N ATOM 1242 CA LYS A 82 15.810 2.728 0.126 1.00 0.00 C ATOM 1243 C LYS A 82 16.089 2.306 1.582 1.00 0.00 C ATOM 1244 O LYS A 82 17.063 1.573 1.839 1.00 0.00 O ATOM 1245 CB LYS A 82 16.069 4.215 -0.198 1.00 0.00 C ATOM 1246 CG LYS A 82 14.968 5.217 0.127 1.00 0.00 C ATOM 1247 CD LYS A 82 14.805 5.503 1.611 1.00 0.00 C ATOM 1248 CE LYS A 82 16.078 6.020 2.264 1.00 0.00 C ATOM 1249 NZ LYS A 82 16.549 7.310 1.709 1.00 0.00 N ATOM 0 H LYS A 82 14.180 2.826 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 82 16.615 2.168 -0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.969 4.522 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.288 4.292 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.179 6.153 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.023 4.842 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.010 6.236 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.489 4.591 2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.906 6.136 3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.865 5.275 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.418 7.602 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.744 7.200 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.815 8.035 1.844 1.00 0.00 H new ATOM 1263 N ALA A 83 15.220 2.520 2.531 1.00 0.00 N ATOM 1264 CA ALA A 83 15.657 2.280 3.890 1.00 0.00 C ATOM 1265 C ALA A 83 14.638 1.523 4.608 1.00 0.00 C ATOM 1266 O ALA A 83 14.930 0.858 5.550 1.00 0.00 O ATOM 1267 CB ALA A 83 15.961 3.571 4.629 1.00 0.00 C ATOM 0 H ALA A 83 14.259 2.841 2.410 1.00 0.00 H new ATOM 0 HA ALA A 83 16.582 1.705 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.285 3.342 5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.752 4.110 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.064 4.189 4.666 1.00 0.00 H new ATOM 1273 N LYS A 84 13.430 1.784 4.256 1.00 0.00 N ATOM 1274 CA LYS A 84 12.418 0.975 4.885 1.00 0.00 C ATOM 1275 C LYS A 84 12.726 -0.470 4.754 1.00 0.00 C ATOM 1276 O LYS A 84 12.613 -1.189 5.733 1.00 0.00 O ATOM 1277 CB LYS A 84 11.074 1.272 4.373 1.00 0.00 C ATOM 1278 CG LYS A 84 10.754 2.709 4.596 1.00 0.00 C ATOM 1279 CD LYS A 84 10.448 2.929 6.049 1.00 0.00 C ATOM 1280 CE LYS A 84 9.082 2.315 6.390 1.00 0.00 C ATOM 1281 NZ LYS A 84 8.697 2.480 7.806 1.00 0.00 N ATOM 0 H LYS A 84 13.120 2.491 3.590 1.00 0.00 H new ATOM 0 HA LYS A 84 12.424 1.230 5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.021 1.039 3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.337 0.644 4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.595 3.332 4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.901 3.003 3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.225 2.477 6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.444 3.996 6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.320 2.772 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.100 1.252 6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.767 2.043 7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.404 2.020 8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.648 3.493 8.037 1.00 0.00 H new ATOM 1295 N ALA A 85 13.201 -0.919 3.616 1.00 0.00 N ATOM 1296 CA ALA A 85 13.543 -2.269 3.473 1.00 0.00 C ATOM 1297 C ALA A 85 14.974 -2.517 3.934 1.00 0.00 C ATOM 1298 O ALA A 85 15.248 -3.522 4.633 1.00 0.00 O ATOM 1299 CB ALA A 85 13.451 -2.544 1.987 1.00 0.00 C ATOM 0 H ALA A 85 13.351 -0.346 2.785 1.00 0.00 H new ATOM 0 HA ALA A 85 12.890 -2.908 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.706 -3.586 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.435 -2.349 1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.146 -1.895 1.453 1.00 0.00 H new ATOM 1305 N ASN A 86 15.897 -1.572 3.680 1.00 0.00 N ATOM 1306 CA ASN A 86 17.290 -1.894 4.011 1.00 0.00 C ATOM 1307 C ASN A 86 17.633 -1.652 5.460 1.00 0.00 C ATOM 1308 O ASN A 86 18.625 -2.165 5.959 1.00 0.00 O ATOM 1309 CB ASN A 86 18.215 -1.067 3.140 1.00 0.00 C ATOM 1310 CG ASN A 86 19.597 -1.686 2.969 1.00 0.00 C ATOM 1311 OD1 ASN A 86 20.509 -1.447 3.752 1.00 0.00 O ATOM 1312 ND2 ASN A 86 19.768 -2.472 1.920 1.00 0.00 N ATOM 0 H ASN A 86 15.724 -0.650 3.279 1.00 0.00 H new ATOM 0 HA ASN A 86 17.419 -2.960 3.826 1.00 0.00 H new ATOM 0 HB2 ASN A 86 17.759 -0.937 2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 86 18.321 -0.074 3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 86 20.678 -2.898 1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 86 18.990 -2.652 1.286 1.00 0.00 H new ATOM 1319 N GLN A 87 16.849 -0.847 6.115 1.00 0.00 N ATOM 1320 CA GLN A 87 17.083 -0.521 7.494 1.00 0.00 C ATOM 1321 C GLN A 87 16.335 -1.480 8.361 1.00 0.00 C ATOM 1322 O GLN A 87 16.804 -1.785 9.458 1.00 0.00 O ATOM 1323 CB GLN A 87 16.688 0.948 7.793 1.00 0.00 C ATOM 1324 CG GLN A 87 17.116 1.552 9.134 1.00 0.00 C ATOM 1325 CD GLN A 87 16.419 1.008 10.391 1.00 0.00 C ATOM 1326 OE1 GLN A 87 15.185 0.531 10.269 1.00 0.00 O flip ATOM 1327 NE2 GLN A 87 17.006 1.006 11.474 1.00 0.00 N flip ATOM 0 H GLN A 87 16.028 -0.397 5.709 1.00 0.00 H new ATOM 0 HA GLN A 87 18.147 -0.612 7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 87 17.100 1.572 7.000 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.603 1.022 7.725 1.00 0.00 H new ATOM 0 HG2 GLN A 87 18.189 1.401 9.248 1.00 0.00 H new ATOM 0 HG3 GLN A 87 16.949 2.628 9.091 1.00 0.00 H new ATOM 0 HE21 GLN A 87 17.953 1.378 11.541 1.00 0.00 H new ATOM 0 HE22 GLN A 87 16.545 0.632 12.303 1.00 0.00 H new ATOM 1336 N LEU A 88 15.184 -2.010 7.913 1.00 0.00 N ATOM 1337 CA LEU A 88 14.324 -2.946 8.590 1.00 0.00 C ATOM 1338 C LEU A 88 15.177 -4.084 9.080 1.00 0.00 C ATOM 1339 O LEU A 88 15.274 -4.362 10.279 1.00 0.00 O ATOM 1340 CB LEU A 88 13.329 -3.459 7.520 1.00 0.00 C ATOM 1341 CG LEU A 88 11.980 -4.014 7.939 1.00 0.00 C ATOM 1342 CD1 LEU A 88 12.098 -5.230 8.850 1.00 0.00 C ATOM 1343 CD2 LEU A 88 11.135 -2.923 8.568 1.00 0.00 C ATOM 0 H LEU A 88 14.818 -1.763 6.993 1.00 0.00 H new ATOM 0 HA LEU A 88 13.796 -2.503 9.435 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.140 -2.635 6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 88 13.837 -4.238 6.952 1.00 0.00 H new ATOM 0 HG LEU A 88 11.479 -4.366 7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.102 -5.583 9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.637 -6.023 8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.640 -4.955 9.755 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.170 -3.335 8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.646 -2.528 9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.981 -2.121 7.847 1.00 0.00 H new ATOM 1355 N GLN A 89 15.775 -4.741 8.139 1.00 0.00 N ATOM 1356 CA GLN A 89 16.650 -5.838 8.364 1.00 0.00 C ATOM 1357 C GLN A 89 18.046 -5.300 8.413 1.00 0.00 C ATOM 1358 O GLN A 89 18.348 -4.324 7.745 1.00 0.00 O ATOM 1359 CB GLN A 89 16.614 -6.726 7.163 1.00 0.00 C ATOM 1360 CG GLN A 89 15.252 -6.935 6.567 1.00 0.00 C ATOM 1361 CD GLN A 89 15.356 -7.821 5.357 1.00 0.00 C ATOM 1362 OE1 GLN A 89 14.469 -8.596 5.034 1.00 0.00 O ATOM 1363 NE2 GLN A 89 16.450 -7.677 4.643 1.00 0.00 N ATOM 0 H GLN A 89 15.659 -4.515 7.151 1.00 0.00 H new ATOM 0 HA GLN A 89 16.363 -6.364 9.275 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.267 -6.305 6.399 1.00 0.00 H new ATOM 0 HB3 GLN A 89 17.027 -7.697 7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.588 -7.387 7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.815 -5.976 6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.171 -7.020 4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.578 -8.222 3.790 1.00 0.00 H new ATOM 1372 N GLU A 90 18.922 -5.962 9.119 1.00 0.00 N ATOM 1373 CA GLU A 90 20.318 -5.609 9.076 1.00 0.00 C ATOM 1374 C GLU A 90 20.907 -6.430 7.911 1.00 0.00 C ATOM 1375 O GLU A 90 22.098 -6.401 7.626 1.00 0.00 O ATOM 1376 CB GLU A 90 20.994 -6.048 10.374 1.00 0.00 C ATOM 1377 CG GLU A 90 20.395 -5.479 11.652 1.00 0.00 C ATOM 1378 CD GLU A 90 20.581 -3.989 11.794 1.00 0.00 C ATOM 1379 OE1 GLU A 90 21.728 -3.542 11.988 1.00 0.00 O ATOM 1380 OE2 GLU A 90 19.592 -3.235 11.742 1.00 0.00 O ATOM 0 H GLU A 90 18.696 -6.747 9.730 1.00 0.00 H new ATOM 0 HA GLU A 90 20.464 -4.536 8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 90 20.959 -7.136 10.431 1.00 0.00 H new ATOM 0 HB3 GLU A 90 22.045 -5.764 10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 90 19.330 -5.708 11.677 1.00 0.00 H new ATOM 0 HG3 GLU A 90 20.849 -5.977 12.509 1.00 0.00 H new ATOM 1387 N GLN A 91 20.015 -7.205 7.266 1.00 0.00 N ATOM 1388 CA GLN A 91 20.377 -8.086 6.188 1.00 0.00 C ATOM 1389 C GLN A 91 20.317 -7.376 4.857 1.00 0.00 C ATOM 1390 O GLN A 91 20.688 -7.948 3.844 1.00 0.00 O ATOM 1391 CB GLN A 91 19.464 -9.312 6.144 1.00 0.00 C ATOM 1392 CG GLN A 91 19.372 -10.085 7.448 1.00 0.00 C ATOM 1393 CD GLN A 91 20.729 -10.436 8.020 1.00 0.00 C ATOM 1394 OE1 GLN A 91 21.708 -10.608 7.295 1.00 0.00 O ATOM 1395 NE2 GLN A 91 20.811 -10.515 9.319 1.00 0.00 N ATOM 0 H GLN A 91 19.021 -7.223 7.495 1.00 0.00 H new ATOM 0 HA GLN A 91 21.401 -8.410 6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.463 -8.992 5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.820 -9.985 5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.818 -9.494 8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 91 18.805 -11.001 7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 91 19.980 -10.367 9.892 1.00 0.00 H new ATOM 0 HE22 GLN A 91 21.706 -10.725 9.762 1.00 0.00 H new ATOM 1404 N GLY A 92 19.887 -6.120 4.848 1.00 0.00 N ATOM 1405 CA GLY A 92 19.839 -5.414 3.593 1.00 0.00 C ATOM 1406 C GLY A 92 18.746 -5.882 2.630 1.00 0.00 C ATOM 1407 O GLY A 92 19.069 -6.498 1.628 1.00 0.00 O ATOM 0 H GLY A 92 19.579 -5.594 5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.694 -4.353 3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.805 -5.515 3.099 1.00 0.00 H new ATOM 1411 N MET A 93 17.463 -5.600 2.958 1.00 0.00 N ATOM 1412 CA MET A 93 16.269 -5.860 2.112 1.00 0.00 C ATOM 1413 C MET A 93 16.234 -7.231 1.413 1.00 0.00 C ATOM 1414 O MET A 93 16.817 -7.415 0.337 1.00 0.00 O ATOM 1415 CB MET A 93 15.881 -4.721 1.187 1.00 0.00 C ATOM 1416 CG MET A 93 16.835 -4.445 0.038 1.00 0.00 C ATOM 1417 SD MET A 93 16.261 -3.144 -1.071 1.00 0.00 S ATOM 1418 CE MET A 93 17.432 -3.366 -2.404 1.00 0.00 C ATOM 0 H MET A 93 17.220 -5.170 3.850 1.00 0.00 H new ATOM 0 HA MET A 93 15.476 -5.912 2.858 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.896 -4.935 0.772 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.786 -3.812 1.781 1.00 0.00 H new ATOM 0 HG2 MET A 93 17.808 -4.165 0.442 1.00 0.00 H new ATOM 0 HG3 MET A 93 16.979 -5.362 -0.533 1.00 0.00 H new ATOM 0 HE1 MET A 93 17.230 -2.639 -3.191 1.00 0.00 H new ATOM 0 HE2 MET A 93 18.444 -3.220 -2.027 1.00 0.00 H new ATOM 0 HE3 MET A 93 17.337 -4.374 -2.808 1.00 0.00 H new ATOM 1428 N GLU A 94 15.522 -8.195 1.997 1.00 0.00 N ATOM 1429 CA GLU A 94 15.573 -9.537 1.443 1.00 0.00 C ATOM 1430 C GLU A 94 14.377 -10.445 1.800 1.00 0.00 C ATOM 1431 O GLU A 94 14.380 -11.615 1.393 1.00 0.00 O ATOM 1432 CB GLU A 94 16.916 -10.218 1.798 1.00 0.00 C ATOM 1433 CG GLU A 94 17.083 -10.705 3.228 1.00 0.00 C ATOM 1434 CD GLU A 94 18.339 -11.524 3.371 1.00 0.00 C ATOM 1435 OE1 GLU A 94 19.440 -10.962 3.283 1.00 0.00 O ATOM 1436 OE2 GLU A 94 18.240 -12.764 3.556 1.00 0.00 O ATOM 0 H GLU A 94 14.929 -8.077 2.818 1.00 0.00 H new ATOM 0 HA GLU A 94 15.499 -9.403 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.051 -11.070 1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.720 -9.515 1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.121 -9.852 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.219 -11.303 3.517 1.00 0.00 H new ATOM 1443 N THR A 95 13.355 -9.918 2.500 1.00 0.00 N ATOM 1444 CA THR A 95 12.183 -10.730 2.909 1.00 0.00 C ATOM 1445 C THR A 95 11.237 -9.989 3.879 1.00 0.00 C ATOM 1446 O THR A 95 10.037 -9.819 3.596 1.00 0.00 O ATOM 1447 CB THR A 95 12.576 -12.128 3.538 1.00 0.00 C ATOM 1448 OG1 THR A 95 11.413 -12.841 3.988 1.00 0.00 O ATOM 1449 CG2 THR A 95 13.554 -11.996 4.709 1.00 0.00 C ATOM 0 H THR A 95 13.312 -8.942 2.794 1.00 0.00 H new ATOM 0 HA THR A 95 11.652 -10.909 1.974 1.00 0.00 H new ATOM 0 HB THR A 95 13.068 -12.683 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.233 -13.589 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.788 -12.986 5.101 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.470 -11.516 4.365 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.101 -11.392 5.495 1.00 0.00 H new ATOM 1457 N SER A 96 11.793 -9.485 4.978 1.00 0.00 N ATOM 1458 CA SER A 96 11.034 -9.004 6.116 1.00 0.00 C ATOM 1459 C SER A 96 10.187 -7.800 5.806 1.00 0.00 C ATOM 1460 O SER A 96 9.171 -7.552 6.453 1.00 0.00 O ATOM 1461 CB SER A 96 12.019 -8.656 7.211 1.00 0.00 C ATOM 1462 OG SER A 96 12.868 -9.763 7.501 1.00 0.00 O ATOM 0 H SER A 96 12.802 -9.400 5.099 1.00 0.00 H new ATOM 0 HA SER A 96 10.344 -9.792 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.622 -7.801 6.905 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.479 -8.361 8.111 1.00 0.00 H new ATOM 0 HG SER A 96 13.623 -9.769 6.876 1.00 0.00 H new ATOM 1468 N GLU A 97 10.587 -7.095 4.806 1.00 0.00 N ATOM 1469 CA GLU A 97 9.974 -5.858 4.457 1.00 0.00 C ATOM 1470 C GLU A 97 8.882 -6.074 3.416 1.00 0.00 C ATOM 1471 O GLU A 97 7.851 -5.453 3.467 1.00 0.00 O ATOM 1472 CB GLU A 97 11.041 -4.884 3.977 1.00 0.00 C ATOM 1473 CG GLU A 97 11.700 -5.237 2.651 1.00 0.00 C ATOM 1474 CD GLU A 97 12.542 -6.471 2.734 1.00 0.00 C ATOM 1475 OE1 GLU A 97 13.686 -6.395 3.145 1.00 0.00 O ATOM 1476 OE2 GLU A 97 12.029 -7.541 2.446 1.00 0.00 O ATOM 0 H GLU A 97 11.360 -7.364 4.198 1.00 0.00 H new ATOM 0 HA GLU A 97 9.491 -5.427 5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.592 -3.895 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.815 -4.815 4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.929 -5.379 1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.319 -4.401 2.324 1.00 0.00 H new ATOM 1483 N MET A 98 9.143 -6.928 2.457 1.00 0.00 N ATOM 1484 CA MET A 98 8.189 -7.320 1.423 1.00 0.00 C ATOM 1485 C MET A 98 6.973 -7.929 2.097 1.00 0.00 C ATOM 1486 O MET A 98 5.859 -7.500 1.887 1.00 0.00 O ATOM 1487 CB MET A 98 8.855 -8.353 0.516 1.00 0.00 C ATOM 1488 CG MET A 98 10.225 -7.905 0.086 1.00 0.00 C ATOM 1489 SD MET A 98 11.115 -9.082 -0.951 1.00 0.00 S ATOM 1490 CE MET A 98 12.667 -8.217 -1.176 1.00 0.00 C ATOM 0 H MET A 98 10.048 -7.388 2.363 1.00 0.00 H new ATOM 0 HA MET A 98 7.882 -6.459 0.829 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.930 -9.305 1.041 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.233 -8.522 -0.363 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.131 -6.964 -0.456 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.821 -7.702 0.976 1.00 0.00 H new ATOM 0 HE1 MET A 98 13.331 -8.817 -1.799 1.00 0.00 H new ATOM 0 HE2 MET A 98 12.482 -7.258 -1.661 1.00 0.00 H new ATOM 0 HE3 MET A 98 13.134 -8.049 -0.205 1.00 0.00 H new ATOM 1500 N LEU A 99 7.229 -8.908 2.961 1.00 0.00 N ATOM 1501 CA LEU A 99 6.170 -9.539 3.758 1.00 0.00 C ATOM 1502 C LEU A 99 5.510 -8.491 4.653 1.00 0.00 C ATOM 1503 O LEU A 99 4.313 -8.571 4.995 1.00 0.00 O ATOM 1504 CB LEU A 99 6.783 -10.622 4.639 1.00 0.00 C ATOM 1505 CG LEU A 99 7.584 -11.698 3.914 1.00 0.00 C ATOM 1506 CD1 LEU A 99 8.194 -12.663 4.912 1.00 0.00 C ATOM 1507 CD2 LEU A 99 6.726 -12.417 2.881 1.00 0.00 C ATOM 0 H LEU A 99 8.161 -9.285 3.130 1.00 0.00 H new ATOM 0 HA LEU A 99 5.426 -9.975 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.434 -10.143 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.981 -11.107 5.196 1.00 0.00 H new ATOM 0 HG LEU A 99 8.400 -11.219 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.763 -13.426 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.857 -12.119 5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.401 -13.139 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.323 -13.179 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.878 -12.889 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.363 -11.699 2.146 1.00 0.00 H new ATOM 1519 N ALA A 100 6.330 -7.511 5.023 1.00 0.00 N ATOM 1520 CA ALA A 100 5.869 -6.417 5.845 1.00 0.00 C ATOM 1521 C ALA A 100 4.708 -5.687 5.219 1.00 0.00 C ATOM 1522 O ALA A 100 3.818 -5.239 5.930 1.00 0.00 O ATOM 1523 CB ALA A 100 6.964 -5.443 6.263 1.00 0.00 C ATOM 0 H ALA A 100 7.315 -7.460 4.762 1.00 0.00 H new ATOM 0 HA ALA A 100 5.523 -6.890 6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.533 -4.653 6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.724 -5.974 6.836 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.419 -5.005 5.375 1.00 0.00 H new ATOM 1529 N LEU A 101 4.656 -5.661 3.891 1.00 0.00 N ATOM 1530 CA LEU A 101 3.631 -4.962 3.138 1.00 0.00 C ATOM 1531 C LEU A 101 2.258 -5.470 3.437 1.00 0.00 C ATOM 1532 O LEU A 101 1.316 -4.691 3.531 1.00 0.00 O ATOM 1533 CB LEU A 101 3.873 -5.035 1.654 1.00 0.00 C ATOM 1534 CG LEU A 101 4.802 -3.983 1.003 1.00 0.00 C ATOM 1535 CD1 LEU A 101 4.085 -2.651 0.892 1.00 0.00 C ATOM 1536 CD2 LEU A 101 6.076 -3.770 1.794 1.00 0.00 C ATOM 0 H LEU A 101 5.340 -6.135 3.301 1.00 0.00 H new ATOM 0 HA LEU A 101 3.693 -3.922 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.283 -6.021 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.905 -4.974 1.157 1.00 0.00 H new ATOM 0 HG LEU A 101 5.065 -4.367 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.748 -1.918 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.192 -2.768 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.799 -2.308 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.693 -3.023 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.828 -3.425 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.625 -4.709 1.859 1.00 0.00 H new ATOM 1548 N LEU A 102 2.124 -6.750 3.640 1.00 0.00 N ATOM 1549 CA LEU A 102 0.850 -7.325 3.934 1.00 0.00 C ATOM 1550 C LEU A 102 0.359 -6.896 5.312 1.00 0.00 C ATOM 1551 O LEU A 102 -0.782 -6.451 5.465 1.00 0.00 O ATOM 1552 CB LEU A 102 0.910 -8.838 3.854 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.391 -9.521 4.222 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.456 -9.279 3.157 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -0.185 -10.997 4.492 1.00 0.00 C ATOM 0 H LEU A 102 2.894 -7.419 3.606 1.00 0.00 H new ATOM 0 HA LEU A 102 0.144 -6.962 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.188 -9.128 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.698 -9.197 4.516 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.752 -9.077 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.380 -9.780 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.638 -8.209 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.112 -9.675 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.139 -11.456 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.217 -11.477 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.516 -11.122 5.318 1.00 0.00 H new ATOM 1567 N HIS A 103 1.207 -7.056 6.319 1.00 0.00 N ATOM 1568 CA HIS A 103 0.749 -6.647 7.643 1.00 0.00 C ATOM 1569 C HIS A 103 0.479 -5.133 7.692 1.00 0.00 C ATOM 1570 O HIS A 103 -0.390 -4.689 8.412 1.00 0.00 O ATOM 1571 CB HIS A 103 1.614 -7.141 8.828 1.00 0.00 C ATOM 1572 CG HIS A 103 3.036 -6.666 8.879 1.00 0.00 C ATOM 1573 ND1 HIS A 103 3.347 -5.333 9.012 1.00 0.00 N ATOM 1574 CD2 HIS A 103 4.180 -7.384 8.815 1.00 0.00 C ATOM 1575 CE1 HIS A 103 4.664 -5.269 9.012 1.00 0.00 C ATOM 1576 NE2 HIS A 103 5.209 -6.484 8.906 1.00 0.00 N ATOM 0 H HIS A 103 2.151 -7.438 6.260 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.196 -7.169 7.792 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.123 -6.840 9.754 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.622 -8.231 8.810 1.00 0.00 H new ATOM 0 HD2 HIS A 103 4.266 -8.456 8.712 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.229 -4.352 9.088 1.00 0.00 H new ATOM 0 HE2 HIS A 103 6.206 -6.701 8.895 1.00 0.00 H new ATOM 1584 N ILE A 104 1.156 -4.378 6.836 1.00 0.00 N ATOM 1585 CA ILE A 104 0.928 -2.920 6.808 1.00 0.00 C ATOM 1586 C ILE A 104 -0.324 -2.590 6.003 1.00 0.00 C ATOM 1587 O ILE A 104 -1.108 -1.741 6.390 1.00 0.00 O ATOM 1588 CB ILE A 104 2.193 -2.054 6.396 1.00 0.00 C ATOM 1589 CG1 ILE A 104 1.921 -0.537 6.260 1.00 0.00 C ATOM 1590 CG2 ILE A 104 2.858 -2.546 5.144 1.00 0.00 C ATOM 1591 CD1 ILE A 104 1.347 -0.117 4.908 1.00 0.00 C ATOM 0 H ILE A 104 1.846 -4.725 6.170 1.00 0.00 H new ATOM 0 HA ILE A 104 0.753 -2.617 7.840 1.00 0.00 H new ATOM 0 HB ILE A 104 2.868 -2.191 7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.229 -0.233 7.045 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.852 0.003 6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.715 -1.913 4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.193 -3.573 5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.149 -2.510 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.187 0.961 4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.046 -0.386 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.397 -0.626 4.742 1.00 0.00 H new ATOM 1603 N THR A 105 -0.556 -3.340 4.954 1.00 0.00 N ATOM 1604 CA THR A 105 -1.735 -3.099 4.141 1.00 0.00 C ATOM 1605 C THR A 105 -2.997 -3.509 4.921 1.00 0.00 C ATOM 1606 O THR A 105 -4.083 -2.972 4.752 1.00 0.00 O ATOM 1607 CB THR A 105 -1.641 -3.795 2.747 1.00 0.00 C ATOM 1608 OG1 THR A 105 -2.591 -3.229 1.839 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.911 -5.284 2.842 1.00 0.00 C ATOM 0 H THR A 105 0.038 -4.108 4.643 1.00 0.00 H new ATOM 0 HA THR A 105 -1.798 -2.031 3.930 1.00 0.00 H new ATOM 0 HB THR A 105 -0.625 -3.637 2.385 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.563 -2.252 1.903 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.836 -5.731 1.851 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.179 -5.745 3.505 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.913 -5.448 3.239 1.00 0.00 H new ATOM 1617 N ARG A 106 -2.832 -4.463 5.783 1.00 0.00 N ATOM 1618 CA ARG A 106 -3.977 -4.849 6.565 1.00 0.00 C ATOM 1619 C ARG A 106 -4.145 -3.945 7.774 1.00 0.00 C ATOM 1620 O ARG A 106 -5.242 -3.510 8.094 1.00 0.00 O ATOM 1621 CB ARG A 106 -3.941 -6.293 6.980 1.00 0.00 C ATOM 1622 CG ARG A 106 -4.009 -7.278 5.827 1.00 0.00 C ATOM 1623 CD ARG A 106 -4.030 -8.692 6.367 1.00 0.00 C ATOM 1624 NE ARG A 106 -4.092 -9.732 5.332 1.00 0.00 N ATOM 1625 CZ ARG A 106 -3.810 -11.030 5.540 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -3.400 -11.448 6.731 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -3.940 -11.904 4.560 1.00 0.00 N ATOM 0 H ARG A 106 -1.965 -4.970 5.963 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.845 -4.730 5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.025 -6.474 7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.774 -6.485 7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.902 -7.093 5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.151 -7.142 5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.138 -8.851 6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.888 -8.803 7.029 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.368 -9.450 4.391 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.297 -10.783 7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.188 -12.435 6.880 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.255 -11.596 3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.725 -12.888 4.722 1.00 0.00 H new ATOM 1641 N ASP A 107 -3.055 -3.639 8.415 1.00 0.00 N ATOM 1642 CA ASP A 107 -3.077 -2.807 9.609 1.00 0.00 C ATOM 1643 C ASP A 107 -3.446 -1.359 9.289 1.00 0.00 C ATOM 1644 O ASP A 107 -4.498 -0.852 9.716 1.00 0.00 O ATOM 1645 CB ASP A 107 -1.710 -2.874 10.306 1.00 0.00 C ATOM 1646 CG ASP A 107 -1.574 -1.931 11.483 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -2.214 -2.178 12.528 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -0.782 -0.962 11.379 1.00 0.00 O ATOM 0 H ASP A 107 -2.125 -3.951 8.137 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.847 -3.193 10.277 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.538 -3.894 10.649 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.931 -2.646 9.579 1.00 0.00 H new ATOM 1653 N ALA A 108 -2.662 -0.760 8.417 1.00 0.00 N ATOM 1654 CA ALA A 108 -2.720 0.664 8.133 1.00 0.00 C ATOM 1655 C ALA A 108 -3.823 1.022 7.155 1.00 0.00 C ATOM 1656 O ALA A 108 -4.051 2.186 6.885 1.00 0.00 O ATOM 1657 CB ALA A 108 -1.386 1.077 7.556 1.00 0.00 C ATOM 0 H ALA A 108 -1.954 -1.255 7.875 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.939 1.190 9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -1.401 2.144 7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.597 0.868 8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.197 0.517 6.640 1.00 0.00 H new ATOM 1663 N TYR A 109 -4.413 0.024 6.555 1.00 0.00 N ATOM 1664 CA TYR A 109 -5.519 0.334 5.644 1.00 0.00 C ATOM 1665 C TYR A 109 -6.845 -0.045 6.279 1.00 0.00 C ATOM 1666 O TYR A 109 -7.679 0.796 6.548 1.00 0.00 O ATOM 1667 CB TYR A 109 -5.429 -0.408 4.313 1.00 0.00 C ATOM 1668 CG TYR A 109 -4.298 -0.058 3.384 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -2.983 -0.125 3.796 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -4.554 0.253 2.060 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -1.950 0.102 2.928 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -3.526 0.499 1.178 1.00 0.00 C ATOM 1673 CZ TYR A 109 -2.226 0.417 1.615 1.00 0.00 C ATOM 1674 OH TYR A 109 -1.203 0.628 0.731 1.00 0.00 O ATOM 0 H TYR A 109 -4.177 -0.963 6.660 1.00 0.00 H new ATOM 0 HA TYR A 109 -5.451 1.405 5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.366 -1.475 4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.364 -0.246 3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -2.764 -0.362 4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.576 0.303 1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -0.927 0.035 3.269 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.740 0.754 0.151 1.00 0.00 H new ATOM 0 HH TYR A 109 -1.428 1.379 0.143 1.00 0.00 H new ATOM 1684 N ARG A 110 -6.974 -1.336 6.533 1.00 0.00 N ATOM 1685 CA ARG A 110 -8.251 -1.945 6.979 1.00 0.00 C ATOM 1686 C ARG A 110 -8.867 -1.277 8.221 1.00 0.00 C ATOM 1687 O ARG A 110 -10.037 -1.454 8.507 1.00 0.00 O ATOM 1688 CB ARG A 110 -8.129 -3.454 7.190 1.00 0.00 C ATOM 1689 CG ARG A 110 -7.460 -4.206 6.046 1.00 0.00 C ATOM 1690 CD ARG A 110 -8.134 -4.015 4.698 1.00 0.00 C ATOM 1691 NE ARG A 110 -9.527 -4.428 4.693 1.00 0.00 N ATOM 1692 CZ ARG A 110 -10.033 -5.444 3.985 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -9.231 -6.319 3.378 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -11.341 -5.589 3.905 1.00 0.00 N ATOM 0 H ARG A 110 -6.209 -2.004 6.441 1.00 0.00 H new ATOM 0 HA ARG A 110 -8.941 -1.763 6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -7.564 -3.635 8.105 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -9.126 -3.867 7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.422 -3.881 5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.445 -5.269 6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.072 -2.965 4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.590 -4.583 3.943 1.00 0.00 H new ATOM 0 HE ARG A 110 -10.173 -3.899 5.278 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.219 -6.218 3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.630 -7.089 2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.957 -4.930 4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.737 -6.360 3.368 1.00 0.00 H new ATOM 1708 N SER A 111 -8.092 -0.497 8.939 1.00 0.00 N ATOM 1709 CA SER A 111 -8.648 0.191 10.081 1.00 0.00 C ATOM 1710 C SER A 111 -9.391 1.503 9.681 1.00 0.00 C ATOM 1711 O SER A 111 -10.083 2.096 10.515 1.00 0.00 O ATOM 1712 CB SER A 111 -7.559 0.454 11.125 1.00 0.00 C ATOM 1713 OG SER A 111 -8.100 1.044 12.296 1.00 0.00 O ATOM 0 H SER A 111 -7.102 -0.326 8.761 1.00 0.00 H new ATOM 0 HA SER A 111 -9.401 -0.461 10.525 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.065 -0.483 11.382 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.798 1.110 10.703 1.00 0.00 H new ATOM 0 HG SER A 111 -7.816 1.980 12.352 1.00 0.00 H new ATOM 1719 N TRP A 112 -9.297 1.929 8.412 1.00 0.00 N ATOM 1720 CA TRP A 112 -9.885 3.212 7.946 1.00 0.00 C ATOM 1721 C TRP A 112 -10.401 3.088 6.511 1.00 0.00 C ATOM 1722 O TRP A 112 -10.817 4.069 5.900 1.00 0.00 O ATOM 1723 CB TRP A 112 -8.854 4.385 8.039 1.00 0.00 C ATOM 1724 CG TRP A 112 -7.573 3.989 8.684 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -6.528 3.465 8.038 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -7.204 4.034 10.073 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -5.537 3.167 8.886 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -5.907 3.499 10.152 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -7.825 4.463 11.247 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -5.221 3.368 11.345 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -7.143 4.338 12.441 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -5.851 3.796 12.484 1.00 0.00 C ATOM 0 H TRP A 112 -8.818 1.406 7.680 1.00 0.00 H new ATOM 0 HA TRP A 112 -10.723 3.439 8.606 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -8.648 4.760 7.036 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -9.298 5.207 8.601 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -6.488 3.303 6.971 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -4.642 2.754 8.624 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -8.819 4.884 11.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -4.228 2.945 11.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -7.613 4.663 13.357 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.342 3.714 13.433 1.00 0.00 H new ATOM 1743 N THR A 113 -10.458 1.872 5.998 1.00 0.00 N ATOM 1744 CA THR A 113 -10.818 1.709 4.603 1.00 0.00 C ATOM 1745 C THR A 113 -11.622 0.417 4.360 1.00 0.00 C ATOM 1746 O THR A 113 -11.716 -0.071 3.218 1.00 0.00 O ATOM 1747 CB THR A 113 -9.589 1.826 3.663 1.00 0.00 C ATOM 1748 OG1 THR A 113 -10.039 1.996 2.317 1.00 0.00 O ATOM 1749 CG2 THR A 113 -8.751 0.577 3.687 1.00 0.00 C ATOM 0 H THR A 113 -10.266 1.009 6.507 1.00 0.00 H new ATOM 0 HA THR A 113 -11.479 2.538 4.350 1.00 0.00 H new ATOM 0 HB THR A 113 -8.997 2.674 4.008 1.00 0.00 H new ATOM 0 HG1 THR A 113 -10.764 1.363 2.132 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.900 0.697 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 113 -8.392 0.399 4.701 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.353 -0.271 3.361 1.00 0.00 H new ATOM 1757 N ASN A 114 -12.279 -0.052 5.424 1.00 0.00 N ATOM 1758 CA ASN A 114 -13.141 -1.256 5.436 1.00 0.00 C ATOM 1759 C ASN A 114 -12.293 -2.510 5.323 1.00 0.00 C ATOM 1760 O ASN A 114 -11.210 -2.571 5.951 1.00 0.00 O ATOM 1761 CB ASN A 114 -14.202 -1.271 4.297 1.00 0.00 C ATOM 1762 CG ASN A 114 -14.943 0.035 4.095 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -15.970 0.307 4.716 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -14.419 0.843 3.193 1.00 0.00 N ATOM 1765 OXT ASN A 114 -12.718 -3.471 4.653 1.00 0.00 O ATOM 0 H ASN A 114 -12.230 0.405 6.335 1.00 0.00 H new ATOM 0 HA ASN A 114 -13.676 -1.230 6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -13.707 -1.539 3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -14.929 -2.055 4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.867 1.735 2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.566 0.575 2.703 1.00 0.00 H new