USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=27 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 2 ASN : amide:sc= -2 K(o=-4.4,f=-0.91) USER MOD Set 1.2: A 7 ASN : amide:sc= -3.33! C(o=-4.4!,f=-7.8!) USER MOD Set 1.3: A 113 THR OG1 : rot -22:sc= 0.923 USER MOD Set 2.1: A 61 LYS NZ :NH3+ -179:sc= 1.08 (180deg=0) USER MOD Set 2.2: A 73 CYS SG : rot 53:sc= 0.89 USER MOD Set 3.1: A 45 GLN : amide:sc= 0 K(o=-1,f=-2.3) USER MOD Set 3.2: A 47 SER OG : rot 170:sc= -1.03 USER MOD Set 4.1: A 34 MET CE :methyl 176:sc= -0.907 (180deg=-1.07) USER MOD Set 4.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 4.3: A 58 HIS : no HD1:sc= -0.219 X(o=-1.1,f=-1.3) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.732 USER MOD Single : A 8 GLN : amide:sc= -5.17! K(o=-5.2!,f=-2) USER MOD Single : A 9 GLN : amide:sc= 0.00434 X(o=0.0043,f=-0.0012) USER MOD Single : A 10 LYS NZ :NH3+ 162:sc= -1.03 (180deg=-1.66!) USER MOD Single : A 15 SER OG : rot 60:sc= -0.519 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -4.14! C(o=-4.1!,f=-9.8!) USER MOD Single : A 36 SER OG : rot 18:sc= -0.319! USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 42 THR OG1 : rot -129:sc= -2.29! USER MOD Single : A 49 GLN : amide:sc= -0.508 K(o=-0.51,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -132:sc= -0.222 (180deg=-1.01) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 115:sc= 1.34 USER MOD Single : A 63 SER OG : rot 82:sc= -1.48! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00073) USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= -1.07! (180deg=-1.64!) USER MOD Single : A 86 ASN : amide:sc= -0.567 K(o=-0.57,f=-0.043) USER MOD Single : A 87 GLN : amide:sc= -1.95! K(o=-1.9!,f=-0.016) USER MOD Single : A 89 GLN : amide:sc= -6.86! C(o=-6.9!,f=-15!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.0945 USER MOD Single : A 98 MET CE :methyl 155:sc= -0.379 (180deg=-1.16) USER MOD Single : A 103 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-5.2!) USER MOD Single : A 105 THR OG1 : rot 46:sc= 0.199 USER MOD Single : A 109 TYR OH : rot 110:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.0793 X(o=-0.079,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 2 -1.101 4.811 7.756 1.00 0.00 N ATOM 19 CA ASN A 2 -1.982 5.637 6.946 1.00 0.00 C ATOM 20 C ASN A 2 -2.824 6.481 7.887 1.00 0.00 C ATOM 21 O ASN A 2 -3.966 6.192 8.134 1.00 0.00 O ATOM 22 CB ASN A 2 -2.894 4.759 6.071 1.00 0.00 C ATOM 23 CG ASN A 2 -2.168 3.903 5.052 1.00 0.00 C ATOM 24 OD1 ASN A 2 -1.004 3.545 5.224 1.00 0.00 O ATOM 25 ND2 ASN A 2 -2.866 3.522 4.006 1.00 0.00 N ATOM 0 HA ASN A 2 -1.393 6.272 6.284 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.479 4.108 6.720 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.600 5.403 5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.444 2.911 3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.830 3.837 3.894 1.00 0.00 H new ATOM 32 N THR A 3 -2.263 7.532 8.407 1.00 0.00 N ATOM 33 CA THR A 3 -2.869 8.231 9.519 1.00 0.00 C ATOM 34 C THR A 3 -3.809 9.397 9.095 1.00 0.00 C ATOM 35 O THR A 3 -4.248 9.516 7.912 1.00 0.00 O ATOM 36 CB THR A 3 -1.723 8.720 10.452 1.00 0.00 C ATOM 37 OG1 THR A 3 -2.222 9.205 11.705 1.00 0.00 O ATOM 38 CG2 THR A 3 -0.908 9.806 9.771 1.00 0.00 C ATOM 0 H THR A 3 -1.382 7.932 8.083 1.00 0.00 H new ATOM 0 HA THR A 3 -3.526 7.539 10.046 1.00 0.00 H new ATOM 0 HB THR A 3 -1.085 7.859 10.654 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.473 9.501 12.263 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.112 10.136 10.438 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.472 9.412 8.853 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.554 10.651 9.533 1.00 0.00 H new ATOM 46 N ASP A 4 -4.105 10.236 10.083 1.00 0.00 N ATOM 47 CA ASP A 4 -4.943 11.425 10.005 1.00 0.00 C ATOM 48 C ASP A 4 -4.268 12.495 9.181 1.00 0.00 C ATOM 49 O ASP A 4 -3.509 13.319 9.686 1.00 0.00 O ATOM 50 CB ASP A 4 -5.296 11.944 11.407 1.00 0.00 C ATOM 51 CG ASP A 4 -5.905 13.341 11.418 1.00 0.00 C ATOM 52 OD1 ASP A 4 -7.032 13.529 10.930 1.00 0.00 O ATOM 53 OD2 ASP A 4 -5.268 14.275 11.947 1.00 0.00 O ATOM 0 H ASP A 4 -3.739 10.092 11.024 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.876 11.154 9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.996 11.251 11.874 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.394 11.948 12.019 1.00 0.00 H new ATOM 58 N VAL A 5 -4.436 12.357 7.886 1.00 0.00 N ATOM 59 CA VAL A 5 -3.917 13.265 6.894 1.00 0.00 C ATOM 60 C VAL A 5 -4.300 12.742 5.525 1.00 0.00 C ATOM 61 O VAL A 5 -4.658 13.486 4.627 1.00 0.00 O ATOM 62 CB VAL A 5 -2.366 13.393 6.993 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.648 12.068 6.771 1.00 0.00 C ATOM 64 CG2 VAL A 5 -1.843 14.483 6.076 1.00 0.00 C ATOM 0 H VAL A 5 -4.958 11.579 7.481 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.340 14.255 7.063 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.141 13.687 8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.572 12.219 6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.971 11.349 7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.887 11.686 5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.759 14.547 6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.106 14.248 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.288 15.438 6.355 1.00 0.00 H new ATOM 74 N LEU A 6 -4.287 11.430 5.395 1.00 0.00 N ATOM 75 CA LEU A 6 -4.509 10.833 4.120 1.00 0.00 C ATOM 76 C LEU A 6 -5.610 9.803 4.131 1.00 0.00 C ATOM 77 O LEU A 6 -6.493 9.858 3.318 1.00 0.00 O ATOM 78 CB LEU A 6 -3.173 10.281 3.577 1.00 0.00 C ATOM 79 CG LEU A 6 -2.425 9.248 4.458 1.00 0.00 C ATOM 80 CD1 LEU A 6 -2.938 7.849 4.235 1.00 0.00 C ATOM 81 CD2 LEU A 6 -0.925 9.307 4.269 1.00 0.00 C ATOM 0 H LEU A 6 -4.125 10.773 6.158 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.869 11.603 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.366 9.822 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.504 11.124 3.403 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.632 9.522 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.389 7.154 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.999 7.807 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.798 7.573 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.448 8.564 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.681 9.099 3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.564 10.300 4.535 1.00 0.00 H new ATOM 93 N ASN A 7 -5.593 8.889 5.055 1.00 0.00 N ATOM 94 CA ASN A 7 -6.508 7.791 4.961 1.00 0.00 C ATOM 95 C ASN A 7 -7.865 8.145 5.389 1.00 0.00 C ATOM 96 O ASN A 7 -8.773 7.805 4.757 1.00 0.00 O ATOM 97 CB ASN A 7 -6.006 6.585 5.682 1.00 0.00 C ATOM 98 CG ASN A 7 -6.474 5.295 4.987 1.00 0.00 C ATOM 99 OD1 ASN A 7 -7.488 4.686 5.336 1.00 0.00 O ATOM 100 ND2 ASN A 7 -5.770 4.901 3.940 1.00 0.00 N ATOM 0 H ASN A 7 -4.972 8.879 5.864 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.571 7.539 3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.917 6.607 5.721 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.362 6.598 6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.063 4.082 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.934 5.416 3.665 1.00 0.00 H new ATOM 107 N GLN A 8 -8.010 8.925 6.394 1.00 0.00 N ATOM 108 CA GLN A 8 -9.346 9.319 6.739 1.00 0.00 C ATOM 109 C GLN A 8 -9.755 10.577 5.998 1.00 0.00 C ATOM 110 O GLN A 8 -10.912 10.831 5.797 1.00 0.00 O ATOM 111 CB GLN A 8 -9.588 9.369 8.261 1.00 0.00 C ATOM 112 CG GLN A 8 -8.524 10.068 9.103 1.00 0.00 C ATOM 113 CD GLN A 8 -8.272 11.496 8.703 1.00 0.00 C ATOM 114 OE1 GLN A 8 -8.934 12.408 9.168 1.00 0.00 O ATOM 115 NE2 GLN A 8 -7.303 11.703 7.827 1.00 0.00 N ATOM 0 H GLN A 8 -7.262 9.297 6.979 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.020 8.534 6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.542 9.866 8.437 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.690 8.346 8.623 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.828 10.042 10.149 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.591 9.510 9.028 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.770 10.914 7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.088 12.651 7.519 1.00 0.00 H new ATOM 124 N GLN A 9 -8.784 11.286 5.458 1.00 0.00 N ATOM 125 CA GLN A 9 -9.058 12.552 4.846 1.00 0.00 C ATOM 126 C GLN A 9 -9.206 12.361 3.373 1.00 0.00 C ATOM 127 O GLN A 9 -10.268 12.584 2.808 1.00 0.00 O ATOM 128 CB GLN A 9 -7.902 13.511 5.143 1.00 0.00 C ATOM 129 CG GLN A 9 -7.986 14.863 4.468 1.00 0.00 C ATOM 130 CD GLN A 9 -9.235 15.638 4.838 1.00 0.00 C ATOM 131 OE1 GLN A 9 -9.248 16.378 5.822 1.00 0.00 O ATOM 132 NE2 GLN A 9 -10.261 15.532 4.026 1.00 0.00 N ATOM 0 H GLN A 9 -7.805 11.001 5.435 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.981 12.972 5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.849 13.665 6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -6.970 13.032 4.843 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.108 15.451 4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.959 14.725 3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.212 14.908 3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.107 16.074 4.200 1.00 0.00 H new ATOM 141 N LYS A 10 -8.153 11.874 2.776 1.00 0.00 N ATOM 142 CA LYS A 10 -8.107 11.692 1.370 1.00 0.00 C ATOM 143 C LYS A 10 -8.862 10.484 0.926 1.00 0.00 C ATOM 144 O LYS A 10 -9.197 10.371 -0.242 1.00 0.00 O ATOM 145 CB LYS A 10 -6.700 11.728 0.843 1.00 0.00 C ATOM 146 CG LYS A 10 -6.057 13.062 1.116 1.00 0.00 C ATOM 147 CD LYS A 10 -5.134 13.473 0.009 1.00 0.00 C ATOM 148 CE LYS A 10 -3.938 12.564 -0.153 1.00 0.00 C ATOM 149 NZ LYS A 10 -2.951 13.176 -1.088 1.00 0.00 N ATOM 0 H LYS A 10 -7.302 11.594 3.264 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.622 12.544 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.113 10.935 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.704 11.535 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.831 13.819 1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.502 13.013 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.691 13.496 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.785 14.488 0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.471 12.388 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.258 11.594 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.026 12.718 -0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.274 13.045 -2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.864 14.192 -0.885 1.00 0.00 H new ATOM 163 N ILE A 11 -9.175 9.585 1.838 1.00 0.00 N ATOM 164 CA ILE A 11 -10.056 8.530 1.405 1.00 0.00 C ATOM 165 C ILE A 11 -11.479 9.017 1.477 1.00 0.00 C ATOM 166 O ILE A 11 -12.292 8.642 0.660 1.00 0.00 O ATOM 167 CB ILE A 11 -9.853 7.191 2.151 1.00 0.00 C ATOM 168 CG1 ILE A 11 -9.989 6.015 1.221 1.00 0.00 C ATOM 169 CG2 ILE A 11 -10.941 7.002 3.233 1.00 0.00 C ATOM 170 CD1 ILE A 11 -9.634 4.692 1.863 1.00 0.00 C ATOM 0 H ILE A 11 -8.861 9.561 2.808 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.804 8.294 0.371 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.853 7.231 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.015 5.968 0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.348 6.172 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.782 6.054 3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.885 7.819 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.925 6.999 2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.755 3.890 1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.599 4.719 2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.292 4.512 2.713 1.00 0.00 H new ATOM 182 N GLU A 12 -11.776 9.857 2.442 1.00 0.00 N ATOM 183 CA GLU A 12 -13.071 10.436 2.496 1.00 0.00 C ATOM 184 C GLU A 12 -13.353 11.208 1.217 1.00 0.00 C ATOM 185 O GLU A 12 -14.373 10.998 0.579 1.00 0.00 O ATOM 186 CB GLU A 12 -13.174 11.291 3.735 1.00 0.00 C ATOM 187 CG GLU A 12 -13.792 10.565 4.914 1.00 0.00 C ATOM 188 CD GLU A 12 -15.177 10.034 4.607 1.00 0.00 C ATOM 189 OE1 GLU A 12 -16.143 10.831 4.525 1.00 0.00 O ATOM 190 OE2 GLU A 12 -15.329 8.808 4.459 1.00 0.00 O ATOM 0 H GLU A 12 -11.138 10.143 3.185 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.836 9.662 2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.179 11.639 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.769 12.176 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.146 9.737 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.847 11.243 5.766 1.00 0.00 H new ATOM 197 N GLU A 13 -12.386 12.009 0.813 1.00 0.00 N ATOM 198 CA GLU A 13 -12.519 12.837 -0.375 1.00 0.00 C ATOM 199 C GLU A 13 -12.310 12.107 -1.712 1.00 0.00 C ATOM 200 O GLU A 13 -13.056 12.337 -2.664 1.00 0.00 O ATOM 201 CB GLU A 13 -11.645 14.067 -0.291 1.00 0.00 C ATOM 202 CG GLU A 13 -10.193 13.814 0.010 1.00 0.00 C ATOM 203 CD GLU A 13 -9.381 15.089 0.075 1.00 0.00 C ATOM 204 OE1 GLU A 13 -9.179 15.734 -0.977 1.00 0.00 O ATOM 205 OE2 GLU A 13 -8.928 15.468 1.170 1.00 0.00 O ATOM 0 H GLU A 13 -11.491 12.106 1.293 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.567 13.137 -0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.713 14.604 -1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.048 14.725 0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.109 13.286 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.776 13.161 -0.756 1.00 0.00 H new ATOM 212 N LEU A 14 -11.294 11.265 -1.818 1.00 0.00 N ATOM 213 CA LEU A 14 -11.065 10.577 -3.084 1.00 0.00 C ATOM 214 C LEU A 14 -11.894 9.333 -3.217 1.00 0.00 C ATOM 215 O LEU A 14 -12.366 9.039 -4.312 1.00 0.00 O ATOM 216 CB LEU A 14 -9.597 10.273 -3.391 1.00 0.00 C ATOM 217 CG LEU A 14 -8.751 11.402 -3.994 1.00 0.00 C ATOM 218 CD1 LEU A 14 -9.377 11.924 -5.280 1.00 0.00 C ATOM 219 CD2 LEU A 14 -8.499 12.527 -3.005 1.00 0.00 C ATOM 0 H LEU A 14 -10.634 11.045 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.389 11.298 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.119 9.952 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.565 9.426 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.777 10.977 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.758 12.723 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.447 11.114 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.375 12.309 -5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.896 13.301 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.451 12.952 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.969 12.136 -2.137 1.00 0.00 H new ATOM 231 N SER A 15 -11.974 8.545 -2.157 1.00 0.00 N ATOM 232 CA SER A 15 -12.858 7.433 -2.174 1.00 0.00 C ATOM 233 C SER A 15 -14.298 7.925 -2.246 1.00 0.00 C ATOM 234 O SER A 15 -14.820 7.938 -3.336 1.00 0.00 O ATOM 235 CB SER A 15 -12.535 6.393 -1.091 1.00 0.00 C ATOM 236 OG SER A 15 -11.326 5.749 -1.454 1.00 0.00 O ATOM 0 H SER A 15 -11.440 8.666 -1.296 1.00 0.00 H new ATOM 0 HA SER A 15 -12.705 6.851 -3.083 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.434 6.874 -0.118 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.344 5.667 -1.006 1.00 0.00 H new ATOM 0 HG SER A 15 -10.607 6.412 -1.515 1.00 0.00 H new ATOM 242 N ALA A 16 -14.934 8.357 -1.150 1.00 0.00 N ATOM 243 CA ALA A 16 -16.276 8.966 -1.261 1.00 0.00 C ATOM 244 C ALA A 16 -17.268 8.119 -2.100 1.00 0.00 C ATOM 245 O ALA A 16 -17.345 6.899 -1.953 1.00 0.00 O ATOM 246 CB ALA A 16 -16.090 10.345 -1.889 1.00 0.00 C ATOM 0 H ALA A 16 -14.561 8.302 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.718 9.028 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.060 10.833 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.444 10.950 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.633 10.238 -2.873 1.00 0.00 H new ATOM 252 N GLU A 17 -17.975 8.796 -3.029 1.00 0.00 N ATOM 253 CA GLU A 17 -18.942 8.194 -3.959 1.00 0.00 C ATOM 254 C GLU A 17 -18.258 7.241 -4.934 1.00 0.00 C ATOM 255 O GLU A 17 -18.912 6.556 -5.723 1.00 0.00 O ATOM 256 CB GLU A 17 -19.638 9.259 -4.776 1.00 0.00 C ATOM 257 CG GLU A 17 -20.289 10.362 -3.969 1.00 0.00 C ATOM 258 CD GLU A 17 -21.029 11.321 -4.859 1.00 0.00 C ATOM 259 OE1 GLU A 17 -20.403 11.932 -5.739 1.00 0.00 O ATOM 260 OE2 GLU A 17 -22.262 11.425 -4.752 1.00 0.00 O ATOM 0 H GLU A 17 -17.883 9.804 -3.153 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.662 7.649 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.912 9.706 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.400 8.782 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -20.978 9.928 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.528 10.900 -3.403 1.00 0.00 H new ATOM 267 N ILE A 18 -16.955 7.203 -4.873 1.00 0.00 N ATOM 268 CA ILE A 18 -16.176 6.273 -5.604 1.00 0.00 C ATOM 269 C ILE A 18 -15.675 5.175 -4.680 1.00 0.00 C ATOM 270 O ILE A 18 -16.455 4.262 -4.410 1.00 0.00 O ATOM 271 CB ILE A 18 -15.157 6.891 -6.637 1.00 0.00 C ATOM 272 CG1 ILE A 18 -14.014 5.939 -7.040 1.00 0.00 C ATOM 273 CG2 ILE A 18 -14.678 8.274 -6.261 1.00 0.00 C ATOM 274 CD1 ILE A 18 -12.959 6.545 -7.956 1.00 0.00 C ATOM 0 H ILE A 18 -16.403 7.838 -4.296 1.00 0.00 H new ATOM 0 HA ILE A 18 -16.827 5.774 -6.322 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.742 7.025 -7.547 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.524 5.581 -6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.445 5.068 -7.534 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.980 8.635 -7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.531 8.951 -6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.177 8.235 -5.294 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.199 5.796 -8.181 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.428 6.876 -8.882 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.493 7.397 -7.461 1.00 0.00 H new ATOM 286 N GLY A 19 -14.440 5.160 -4.171 1.00 0.00 N ATOM 287 CA GLY A 19 -13.820 4.185 -3.307 1.00 0.00 C ATOM 288 C GLY A 19 -14.511 3.718 -2.070 1.00 0.00 C ATOM 289 O GLY A 19 -13.995 2.811 -1.445 1.00 0.00 O ATOM 0 H GLY A 19 -13.791 5.917 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.615 3.303 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.856 4.593 -3.002 1.00 0.00 H new ATOM 293 N SER A 20 -15.620 4.287 -1.661 1.00 0.00 N ATOM 294 CA SER A 20 -16.317 3.688 -0.550 1.00 0.00 C ATOM 295 C SER A 20 -16.860 2.325 -1.035 1.00 0.00 C ATOM 296 O SER A 20 -17.080 1.394 -0.256 1.00 0.00 O ATOM 297 CB SER A 20 -17.423 4.639 -0.067 1.00 0.00 C ATOM 298 OG SER A 20 -18.044 4.188 1.127 1.00 0.00 O ATOM 0 H SER A 20 -16.044 5.125 -2.059 1.00 0.00 H new ATOM 0 HA SER A 20 -15.664 3.519 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.999 5.629 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.176 4.742 -0.848 1.00 0.00 H new ATOM 0 HG SER A 20 -18.738 4.825 1.395 1.00 0.00 H new ATOM 304 N ASP A 21 -17.031 2.232 -2.354 1.00 0.00 N ATOM 305 CA ASP A 21 -17.428 0.977 -2.964 1.00 0.00 C ATOM 306 C ASP A 21 -16.329 0.310 -3.782 1.00 0.00 C ATOM 307 O ASP A 21 -16.227 -0.903 -3.770 1.00 0.00 O ATOM 308 CB ASP A 21 -18.619 1.240 -3.861 1.00 0.00 C ATOM 309 CG ASP A 21 -19.302 -0.004 -4.393 1.00 0.00 C ATOM 310 OD1 ASP A 21 -20.169 -0.583 -3.681 1.00 0.00 O ATOM 311 OD2 ASP A 21 -19.070 -0.368 -5.556 1.00 0.00 O ATOM 0 H ASP A 21 -16.901 3.004 -3.008 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.666 0.289 -2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.350 1.830 -3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.293 1.847 -4.705 1.00 0.00 H new ATOM 316 N ASN A 22 -15.437 1.071 -4.427 1.00 0.00 N ATOM 317 CA ASN A 22 -14.545 0.423 -5.406 1.00 0.00 C ATOM 318 C ASN A 22 -13.202 0.034 -4.796 1.00 0.00 C ATOM 319 O ASN A 22 -12.623 -0.994 -5.147 1.00 0.00 O ATOM 320 CB ASN A 22 -14.348 1.280 -6.697 1.00 0.00 C ATOM 321 CG ASN A 22 -13.220 2.326 -6.650 1.00 0.00 C ATOM 322 OD1 ASN A 22 -12.929 2.911 -5.634 1.00 0.00 O ATOM 323 ND2 ASN A 22 -12.561 2.557 -7.756 1.00 0.00 N ATOM 0 H ASN A 22 -15.312 2.076 -4.304 1.00 0.00 H new ATOM 0 HA ASN A 22 -15.049 -0.497 -5.704 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.155 0.605 -7.531 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.284 1.795 -6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.798 3.234 -7.763 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.810 2.061 -8.611 1.00 0.00 H new ATOM 330 N VAL A 23 -12.712 0.834 -3.873 1.00 0.00 N ATOM 331 CA VAL A 23 -11.403 0.596 -3.325 1.00 0.00 C ATOM 332 C VAL A 23 -11.314 -0.577 -2.328 1.00 0.00 C ATOM 333 O VAL A 23 -10.281 -1.229 -2.295 1.00 0.00 O ATOM 334 CB VAL A 23 -10.677 1.883 -2.853 1.00 0.00 C ATOM 335 CG1 VAL A 23 -10.911 2.225 -1.385 1.00 0.00 C ATOM 336 CG2 VAL A 23 -9.204 1.821 -3.205 1.00 0.00 C ATOM 0 H VAL A 23 -13.198 1.646 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.827 0.244 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.126 2.712 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.370 3.137 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.977 2.375 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.554 1.407 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.710 2.732 -2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.749 0.959 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.092 1.727 -4.285 1.00 0.00 H new ATOM 346 N PRO A 24 -12.359 -0.910 -1.501 1.00 0.00 N ATOM 347 CA PRO A 24 -12.303 -2.129 -0.689 1.00 0.00 C ATOM 348 C PRO A 24 -12.327 -3.336 -1.615 1.00 0.00 C ATOM 349 O PRO A 24 -11.732 -4.366 -1.330 1.00 0.00 O ATOM 350 CB PRO A 24 -13.579 -2.071 0.166 1.00 0.00 C ATOM 351 CG PRO A 24 -13.972 -0.638 0.144 1.00 0.00 C ATOM 352 CD PRO A 24 -13.603 -0.160 -1.223 1.00 0.00 C ATOM 0 HA PRO A 24 -11.406 -2.206 -0.074 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.364 -2.705 -0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.392 -2.417 1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.039 -0.518 0.330 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.449 -0.073 0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.381 -0.381 -1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.441 0.918 -1.246 1.00 0.00 H new ATOM 360 N VAL A 25 -13.037 -3.180 -2.732 1.00 0.00 N ATOM 361 CA VAL A 25 -13.001 -4.222 -3.749 1.00 0.00 C ATOM 362 C VAL A 25 -11.552 -4.443 -4.209 1.00 0.00 C ATOM 363 O VAL A 25 -11.024 -5.543 -4.089 1.00 0.00 O ATOM 364 CB VAL A 25 -13.915 -3.904 -4.964 1.00 0.00 C ATOM 365 CG1 VAL A 25 -13.754 -4.946 -6.065 1.00 0.00 C ATOM 366 CG2 VAL A 25 -15.372 -3.849 -4.532 1.00 0.00 C ATOM 0 H VAL A 25 -13.622 -2.373 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.389 -5.135 -3.298 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.614 -2.933 -5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.407 -4.695 -6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.718 -4.960 -6.404 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -14.022 -5.929 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.999 -3.625 -5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.663 -4.811 -4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.499 -3.071 -3.779 1.00 0.00 H new ATOM 376 N LEU A 26 -10.904 -3.366 -4.623 1.00 0.00 N ATOM 377 CA LEU A 26 -9.552 -3.362 -5.175 1.00 0.00 C ATOM 378 C LEU A 26 -8.515 -3.871 -4.122 1.00 0.00 C ATOM 379 O LEU A 26 -7.760 -4.808 -4.362 1.00 0.00 O ATOM 380 CB LEU A 26 -9.254 -1.888 -5.591 1.00 0.00 C ATOM 381 CG LEU A 26 -8.294 -1.630 -6.771 1.00 0.00 C ATOM 382 CD1 LEU A 26 -6.960 -2.294 -6.563 1.00 0.00 C ATOM 383 CD2 LEU A 26 -8.935 -2.082 -8.072 1.00 0.00 C ATOM 0 H LEU A 26 -11.318 -2.434 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.474 -4.033 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.206 -1.413 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.851 -1.374 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.108 -0.557 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.314 -2.088 -7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.498 -1.906 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.101 -3.371 -6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.250 -1.896 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.157 -3.148 -8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.859 -1.527 -8.234 1.00 0.00 H new ATOM 395 N LEU A 27 -8.439 -3.120 -3.055 1.00 0.00 N ATOM 396 CA LEU A 27 -7.553 -3.462 -1.946 1.00 0.00 C ATOM 397 C LEU A 27 -7.645 -4.961 -1.558 1.00 0.00 C ATOM 398 O LEU A 27 -6.623 -5.621 -1.422 1.00 0.00 O ATOM 399 CB LEU A 27 -7.879 -2.569 -0.754 1.00 0.00 C ATOM 400 CG LEU A 27 -7.273 -2.944 0.588 1.00 0.00 C ATOM 401 CD1 LEU A 27 -5.756 -2.815 0.577 1.00 0.00 C ATOM 402 CD2 LEU A 27 -7.876 -2.100 1.690 1.00 0.00 C ATOM 0 H LEU A 27 -8.976 -2.264 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.525 -3.291 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.560 -1.555 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.963 -2.544 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.507 -3.991 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.360 -3.092 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.340 -3.476 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.480 -1.785 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.433 -2.379 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.677 -1.047 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.953 -2.265 1.727 1.00 0.00 H new ATOM 414 N ASP A 28 -8.848 -5.509 -1.417 1.00 0.00 N ATOM 415 CA ASP A 28 -8.974 -6.938 -1.084 1.00 0.00 C ATOM 416 C ASP A 28 -8.513 -7.858 -2.218 1.00 0.00 C ATOM 417 O ASP A 28 -7.982 -8.941 -1.962 1.00 0.00 O ATOM 418 CB ASP A 28 -10.392 -7.340 -0.648 1.00 0.00 C ATOM 419 CG ASP A 28 -10.763 -6.880 0.748 1.00 0.00 C ATOM 420 OD1 ASP A 28 -10.970 -5.681 0.960 1.00 0.00 O ATOM 421 OD2 ASP A 28 -10.880 -7.720 1.669 1.00 0.00 O ATOM 0 H ASP A 28 -9.731 -5.009 -1.523 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.306 -7.073 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.109 -6.928 -1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.482 -8.425 -0.698 1.00 0.00 H new ATOM 426 N ILE A 29 -8.660 -7.425 -3.461 1.00 0.00 N ATOM 427 CA ILE A 29 -8.335 -8.290 -4.586 1.00 0.00 C ATOM 428 C ILE A 29 -6.854 -8.258 -4.911 1.00 0.00 C ATOM 429 O ILE A 29 -6.212 -9.277 -4.890 1.00 0.00 O ATOM 430 CB ILE A 29 -9.181 -8.030 -5.874 1.00 0.00 C ATOM 431 CG1 ILE A 29 -9.143 -6.555 -6.258 1.00 0.00 C ATOM 432 CG2 ILE A 29 -10.615 -8.506 -5.681 1.00 0.00 C ATOM 433 CD1 ILE A 29 -9.655 -6.207 -7.627 1.00 0.00 C ATOM 0 H ILE A 29 -8.996 -6.496 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.606 -9.290 -4.246 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.742 -8.602 -6.692 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.723 -5.996 -5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.113 -6.208 -6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.187 -8.316 -6.589 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.618 -9.575 -5.468 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.068 -7.968 -4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.576 -5.131 -7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.062 -6.726 -8.380 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.698 -6.511 -7.713 1.00 0.00 H new ATOM 445 N PHE A 30 -6.299 -7.078 -5.126 1.00 0.00 N ATOM 446 CA PHE A 30 -4.918 -6.921 -5.551 1.00 0.00 C ATOM 447 C PHE A 30 -3.946 -7.442 -4.504 1.00 0.00 C ATOM 448 O PHE A 30 -2.868 -7.923 -4.812 1.00 0.00 O ATOM 449 CB PHE A 30 -4.682 -5.458 -5.926 1.00 0.00 C ATOM 450 CG PHE A 30 -5.137 -5.082 -7.336 1.00 0.00 C ATOM 451 CD1 PHE A 30 -6.168 -5.759 -7.969 1.00 0.00 C ATOM 452 CD2 PHE A 30 -4.517 -4.048 -8.031 1.00 0.00 C ATOM 453 CE1 PHE A 30 -6.573 -5.416 -9.248 1.00 0.00 C ATOM 454 CE2 PHE A 30 -4.918 -3.699 -9.309 1.00 0.00 C ATOM 455 CZ PHE A 30 -5.947 -4.385 -9.917 1.00 0.00 C ATOM 0 H PHE A 30 -6.797 -6.195 -5.010 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.730 -7.530 -6.435 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.203 -4.824 -5.209 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.618 -5.239 -5.831 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.664 -6.569 -7.455 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.707 -3.507 -7.564 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.379 -5.956 -9.722 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.425 -2.891 -9.829 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.262 -4.116 -10.914 1.00 0.00 H new ATOM 465 N LEU A 31 -4.419 -7.470 -3.293 1.00 0.00 N ATOM 466 CA LEU A 31 -3.667 -8.005 -2.227 1.00 0.00 C ATOM 467 C LEU A 31 -3.970 -9.475 -2.050 1.00 0.00 C ATOM 468 O LEU A 31 -3.057 -10.248 -2.014 1.00 0.00 O ATOM 469 CB LEU A 31 -3.843 -7.175 -0.947 1.00 0.00 C ATOM 470 CG LEU A 31 -3.166 -5.794 -0.887 1.00 0.00 C ATOM 471 CD1 LEU A 31 -1.656 -5.907 -1.010 1.00 0.00 C ATOM 472 CD2 LEU A 31 -3.714 -4.808 -1.897 1.00 0.00 C ATOM 0 H LEU A 31 -5.340 -7.119 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.607 -7.939 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.911 -7.031 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.471 -7.767 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.406 -5.393 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.212 -4.913 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.269 -6.516 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.402 -6.374 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.191 -3.857 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.568 -5.199 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.778 -4.657 -1.718 1.00 0.00 H new ATOM 484 N GLY A 32 -5.247 -9.868 -2.013 1.00 0.00 N ATOM 485 CA GLY A 32 -5.618 -11.272 -1.827 1.00 0.00 C ATOM 486 C GLY A 32 -5.201 -12.191 -2.979 1.00 0.00 C ATOM 487 O GLY A 32 -4.891 -13.352 -2.760 1.00 0.00 O ATOM 0 H GLY A 32 -6.040 -9.233 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.165 -11.636 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.699 -11.336 -1.699 1.00 0.00 H new ATOM 491 N GLU A 33 -5.210 -11.687 -4.198 1.00 0.00 N ATOM 492 CA GLU A 33 -4.769 -12.453 -5.369 1.00 0.00 C ATOM 493 C GLU A 33 -3.261 -12.569 -5.328 1.00 0.00 C ATOM 494 O GLU A 33 -2.685 -13.627 -5.518 1.00 0.00 O ATOM 495 CB GLU A 33 -5.173 -11.748 -6.650 1.00 0.00 C ATOM 496 CG GLU A 33 -6.662 -11.553 -6.804 1.00 0.00 C ATOM 497 CD GLU A 33 -6.999 -10.903 -8.117 1.00 0.00 C ATOM 498 OE1 GLU A 33 -6.444 -11.322 -9.156 1.00 0.00 O ATOM 499 OE2 GLU A 33 -7.816 -9.970 -8.143 1.00 0.00 O ATOM 0 H GLU A 33 -5.520 -10.740 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.234 -13.438 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.684 -10.774 -6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.803 -12.322 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.166 -12.517 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.036 -10.938 -5.986 1.00 0.00 H new ATOM 506 N MET A 34 -2.684 -11.455 -4.994 1.00 0.00 N ATOM 507 CA MET A 34 -1.233 -11.470 -4.873 1.00 0.00 C ATOM 508 C MET A 34 -0.796 -12.375 -3.760 1.00 0.00 C ATOM 509 O MET A 34 0.143 -13.157 -3.887 1.00 0.00 O ATOM 510 CB MET A 34 -0.733 -10.108 -4.657 1.00 0.00 C ATOM 511 CG MET A 34 -0.112 -9.529 -5.919 1.00 0.00 C ATOM 512 SD MET A 34 -1.112 -9.885 -7.388 1.00 0.00 S ATOM 513 CE MET A 34 -0.073 -9.262 -8.705 1.00 0.00 C ATOM 0 H MET A 34 -3.149 -10.566 -4.807 1.00 0.00 H new ATOM 0 HA MET A 34 -0.813 -11.856 -5.802 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.552 -9.468 -4.328 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.008 -10.115 -3.857 1.00 0.00 H new ATOM 0 HG2 MET A 34 -0.002 -8.450 -5.807 1.00 0.00 H new ATOM 0 HG3 MET A 34 0.889 -9.940 -6.053 1.00 0.00 H new ATOM 0 HE1 MET A 34 -0.535 -9.481 -9.668 1.00 0.00 H new ATOM 0 HE2 MET A 34 0.045 -8.184 -8.596 1.00 0.00 H new ATOM 0 HE3 MET A 34 0.905 -9.741 -8.654 1.00 0.00 H new ATOM 523 N ASP A 35 -1.564 -12.343 -2.725 1.00 0.00 N ATOM 524 CA ASP A 35 -1.428 -13.135 -1.543 1.00 0.00 C ATOM 525 C ASP A 35 -1.593 -14.570 -1.877 1.00 0.00 C ATOM 526 O ASP A 35 -0.857 -15.406 -1.379 1.00 0.00 O ATOM 527 CB ASP A 35 -2.589 -12.780 -0.654 1.00 0.00 C ATOM 528 CG ASP A 35 -2.660 -13.599 0.627 1.00 0.00 C ATOM 529 OD1 ASP A 35 -1.890 -13.341 1.573 1.00 0.00 O ATOM 530 OD2 ASP A 35 -3.506 -14.519 0.714 1.00 0.00 O ATOM 0 H ASP A 35 -2.366 -11.715 -2.676 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.455 -12.958 -1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.525 -11.723 -0.395 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.516 -12.916 -1.212 1.00 0.00 H new ATOM 535 N SER A 36 -2.529 -14.805 -2.791 1.00 0.00 N ATOM 536 CA SER A 36 -2.998 -16.113 -3.126 1.00 0.00 C ATOM 537 C SER A 36 -1.905 -17.075 -3.289 1.00 0.00 C ATOM 538 O SER A 36 -1.679 -18.037 -2.557 1.00 0.00 O ATOM 539 CB SER A 36 -3.670 -16.162 -4.493 1.00 0.00 C ATOM 540 OG SER A 36 -4.866 -15.392 -4.560 1.00 0.00 O ATOM 0 H SER A 36 -2.983 -14.062 -3.323 1.00 0.00 H new ATOM 0 HA SER A 36 -3.671 -16.354 -2.303 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.971 -15.801 -5.247 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.899 -17.198 -4.741 1.00 0.00 H new ATOM 0 HG SER A 36 -4.888 -14.756 -3.815 1.00 0.00 H new ATOM 546 N TYR A 37 -1.181 -16.681 -4.238 1.00 0.00 N ATOM 547 CA TYR A 37 -0.319 -17.536 -4.858 1.00 0.00 C ATOM 548 C TYR A 37 1.036 -17.220 -4.445 1.00 0.00 C ATOM 549 O TYR A 37 1.941 -17.742 -4.987 1.00 0.00 O ATOM 550 CB TYR A 37 -0.559 -17.420 -6.340 1.00 0.00 C ATOM 551 CG TYR A 37 -0.003 -16.177 -6.943 1.00 0.00 C ATOM 552 CD1 TYR A 37 -0.754 -15.053 -6.984 1.00 0.00 C ATOM 553 CD2 TYR A 37 1.279 -16.123 -7.408 1.00 0.00 C ATOM 554 CE1 TYR A 37 -0.271 -13.888 -7.468 1.00 0.00 C ATOM 555 CE2 TYR A 37 1.799 -14.980 -7.900 1.00 0.00 C ATOM 556 CZ TYR A 37 1.023 -13.837 -7.935 1.00 0.00 C ATOM 557 OH TYR A 37 1.536 -12.662 -8.427 1.00 0.00 O ATOM 0 H TYR A 37 -1.180 -15.730 -4.606 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.479 -18.578 -4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.118 -18.283 -6.839 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.632 -17.456 -6.529 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.770 -15.088 -6.619 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.889 -17.014 -7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.894 -13.006 -7.488 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.815 -14.958 -8.264 1.00 0.00 H new ATOM 0 HH TYR A 37 2.463 -12.804 -8.713 1.00 0.00 H new ATOM 567 N ILE A 38 1.165 -16.337 -3.481 1.00 0.00 N ATOM 568 CA ILE A 38 2.411 -16.036 -2.865 1.00 0.00 C ATOM 569 C ILE A 38 2.507 -16.636 -1.483 1.00 0.00 C ATOM 570 O ILE A 38 3.593 -16.896 -0.969 1.00 0.00 O ATOM 571 CB ILE A 38 2.816 -14.569 -3.090 1.00 0.00 C ATOM 572 CG1 ILE A 38 2.951 -14.376 -4.613 1.00 0.00 C ATOM 573 CG2 ILE A 38 4.116 -14.282 -2.432 1.00 0.00 C ATOM 574 CD1 ILE A 38 3.302 -12.997 -5.102 1.00 0.00 C ATOM 0 H ILE A 38 0.382 -15.803 -3.104 1.00 0.00 H new ATOM 0 HA ILE A 38 3.231 -16.550 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 38 2.072 -13.894 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.712 -15.067 -4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.009 -14.669 -5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.387 -13.240 -2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.030 -14.465 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.886 -14.930 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.365 -13.002 -6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.533 -12.292 -4.786 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.263 -12.696 -4.684 1.00 0.00 H new ATOM 586 N GLY A 39 1.353 -16.936 -0.931 1.00 0.00 N ATOM 587 CA GLY A 39 1.318 -17.901 0.138 1.00 0.00 C ATOM 588 C GLY A 39 1.830 -19.208 -0.459 1.00 0.00 C ATOM 589 O GLY A 39 2.601 -19.942 0.148 1.00 0.00 O ATOM 0 H GLY A 39 0.452 -16.538 -1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.943 -17.582 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.306 -18.019 0.525 1.00 0.00 H new ATOM 593 N THR A 40 1.436 -19.416 -1.715 1.00 0.00 N ATOM 594 CA THR A 40 1.899 -20.515 -2.536 1.00 0.00 C ATOM 595 C THR A 40 3.356 -20.272 -2.986 1.00 0.00 C ATOM 596 O THR A 40 4.206 -21.110 -2.778 1.00 0.00 O ATOM 597 CB THR A 40 1.011 -20.629 -3.784 1.00 0.00 C ATOM 598 OG1 THR A 40 -0.364 -20.712 -3.393 1.00 0.00 O ATOM 599 CG2 THR A 40 1.381 -21.824 -4.646 1.00 0.00 C ATOM 0 H THR A 40 0.771 -18.807 -2.193 1.00 0.00 H new ATOM 0 HA THR A 40 1.849 -21.433 -1.951 1.00 0.00 H new ATOM 0 HB THR A 40 1.172 -19.734 -4.386 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.927 -20.783 -4.192 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.725 -21.862 -5.516 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.416 -21.729 -4.975 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.268 -22.740 -4.066 1.00 0.00 H new ATOM 607 N LEU A 41 3.632 -19.118 -3.610 1.00 0.00 N ATOM 608 CA LEU A 41 4.929 -18.752 -4.148 1.00 0.00 C ATOM 609 C LEU A 41 6.056 -18.659 -3.155 1.00 0.00 C ATOM 610 O LEU A 41 7.175 -18.816 -3.532 1.00 0.00 O ATOM 611 CB LEU A 41 4.844 -17.501 -5.030 1.00 0.00 C ATOM 612 CG LEU A 41 4.521 -17.704 -6.473 1.00 0.00 C ATOM 613 CD1 LEU A 41 4.839 -16.472 -7.290 1.00 0.00 C ATOM 614 CD2 LEU A 41 5.141 -18.957 -7.032 1.00 0.00 C ATOM 0 H LEU A 41 2.926 -18.396 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 41 5.202 -19.605 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.090 -16.839 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.799 -16.978 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 41 3.444 -17.856 -6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.592 -16.655 -8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.254 -15.630 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.901 -16.242 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.875 -19.057 -8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.225 -18.901 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.773 -19.822 -6.481 1.00 0.00 H new ATOM 626 N THR A 42 5.772 -18.380 -1.929 1.00 0.00 N ATOM 627 CA THR A 42 6.794 -18.465 -0.898 1.00 0.00 C ATOM 628 C THR A 42 6.976 -19.890 -0.438 1.00 0.00 C ATOM 629 O THR A 42 8.082 -20.350 -0.155 1.00 0.00 O ATOM 630 CB THR A 42 6.529 -17.496 0.240 1.00 0.00 C ATOM 631 OG1 THR A 42 6.891 -16.202 -0.211 1.00 0.00 O ATOM 632 CG2 THR A 42 7.287 -17.831 1.518 1.00 0.00 C ATOM 0 H THR A 42 4.851 -18.091 -1.600 1.00 0.00 H new ATOM 0 HA THR A 42 7.744 -18.154 -1.332 1.00 0.00 H new ATOM 0 HB THR A 42 5.472 -17.558 0.501 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.488 -15.783 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.048 -17.096 2.286 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.998 -18.824 1.863 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.359 -17.814 1.320 1.00 0.00 H new ATOM 640 N GLU A 43 5.896 -20.603 -0.447 1.00 0.00 N ATOM 641 CA GLU A 43 5.946 -22.040 -0.171 1.00 0.00 C ATOM 642 C GLU A 43 6.605 -22.782 -1.370 1.00 0.00 C ATOM 643 O GLU A 43 6.904 -23.981 -1.317 1.00 0.00 O ATOM 644 CB GLU A 43 4.536 -22.575 0.138 1.00 0.00 C ATOM 645 CG GLU A 43 4.484 -24.039 0.548 1.00 0.00 C ATOM 646 CD GLU A 43 3.103 -24.481 0.974 1.00 0.00 C ATOM 647 OE1 GLU A 43 2.762 -24.337 2.169 1.00 0.00 O ATOM 648 OE2 GLU A 43 2.345 -24.997 0.129 1.00 0.00 O ATOM 0 H GLU A 43 4.964 -20.236 -0.639 1.00 0.00 H new ATOM 0 HA GLU A 43 6.559 -22.223 0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.101 -21.973 0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.909 -22.437 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.817 -24.657 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.183 -24.207 1.368 1.00 0.00 H new ATOM 655 N LEU A 44 6.838 -22.056 -2.454 1.00 0.00 N ATOM 656 CA LEU A 44 7.412 -22.587 -3.636 1.00 0.00 C ATOM 657 C LEU A 44 8.820 -22.021 -3.828 1.00 0.00 C ATOM 658 O LEU A 44 9.704 -22.694 -4.353 1.00 0.00 O ATOM 659 CB LEU A 44 6.502 -22.114 -4.762 1.00 0.00 C ATOM 660 CG LEU A 44 6.061 -23.134 -5.788 1.00 0.00 C ATOM 661 CD1 LEU A 44 5.050 -22.503 -6.713 1.00 0.00 C ATOM 662 CD2 LEU A 44 7.250 -23.641 -6.562 1.00 0.00 C ATOM 0 H LEU A 44 6.621 -21.061 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 44 7.496 -23.673 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.608 -21.684 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.013 -21.308 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 44 5.600 -23.983 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.729 -23.235 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.188 -22.169 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.502 -21.649 -7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.920 -24.375 -7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.734 -22.808 -7.072 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.958 -24.108 -5.877 1.00 0.00 H new ATOM 674 N GLN A 45 9.017 -20.796 -3.349 1.00 0.00 N ATOM 675 CA GLN A 45 10.213 -20.015 -3.607 1.00 0.00 C ATOM 676 C GLN A 45 10.196 -18.725 -2.816 1.00 0.00 C ATOM 677 O GLN A 45 9.410 -18.554 -1.920 1.00 0.00 O ATOM 678 CB GLN A 45 10.348 -19.781 -5.122 1.00 0.00 C ATOM 679 CG GLN A 45 9.150 -19.189 -5.832 1.00 0.00 C ATOM 680 CD GLN A 45 9.200 -19.438 -7.328 1.00 0.00 C ATOM 681 OE1 GLN A 45 8.685 -20.442 -7.818 1.00 0.00 O ATOM 682 NE2 GLN A 45 9.798 -18.533 -8.068 1.00 0.00 N ATOM 0 H GLN A 45 8.336 -20.314 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 45 11.093 -20.564 -3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.201 -19.123 -5.289 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.584 -20.735 -5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.236 -19.619 -5.423 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.110 -18.116 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.215 -17.711 -7.631 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.845 -18.652 -9.080 1.00 0.00 H new ATOM 691 N GLY A 46 11.109 -17.853 -3.101 1.00 0.00 N ATOM 692 CA GLY A 46 11.169 -16.594 -2.393 1.00 0.00 C ATOM 693 C GLY A 46 10.245 -15.559 -2.970 1.00 0.00 C ATOM 694 O GLY A 46 10.380 -14.405 -2.661 1.00 0.00 O ATOM 0 H GLY A 46 11.826 -17.979 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.915 -16.758 -1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.191 -16.217 -2.418 1.00 0.00 H new ATOM 698 N SER A 47 9.322 -16.001 -3.812 1.00 0.00 N ATOM 699 CA SER A 47 8.457 -15.146 -4.527 1.00 0.00 C ATOM 700 C SER A 47 7.700 -14.024 -3.782 1.00 0.00 C ATOM 701 O SER A 47 7.154 -13.166 -4.442 1.00 0.00 O ATOM 702 CB SER A 47 7.682 -15.922 -5.520 1.00 0.00 C ATOM 703 OG SER A 47 8.488 -16.246 -6.633 1.00 0.00 O ATOM 0 H SER A 47 9.170 -16.991 -4.004 1.00 0.00 H new ATOM 0 HA SER A 47 9.127 -14.470 -5.058 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.302 -16.835 -5.061 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.817 -15.345 -5.846 1.00 0.00 H new ATOM 0 HG SER A 47 8.017 -16.890 -7.202 1.00 0.00 H new ATOM 709 N GLU A 48 7.512 -14.053 -2.459 1.00 0.00 N ATOM 710 CA GLU A 48 7.150 -12.766 -1.771 1.00 0.00 C ATOM 711 C GLU A 48 8.104 -11.588 -2.202 1.00 0.00 C ATOM 712 O GLU A 48 7.780 -10.412 -2.054 1.00 0.00 O ATOM 713 CB GLU A 48 7.057 -12.894 -0.242 1.00 0.00 C ATOM 714 CG GLU A 48 5.777 -13.591 0.192 1.00 0.00 C ATOM 715 CD GLU A 48 5.640 -13.850 1.670 1.00 0.00 C ATOM 716 OE1 GLU A 48 6.263 -14.812 2.153 1.00 0.00 O ATOM 717 OE2 GLU A 48 4.862 -13.143 2.351 1.00 0.00 O ATOM 0 H GLU A 48 7.591 -14.876 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 48 6.143 -12.520 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.917 -13.451 0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.101 -11.903 0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.929 -12.987 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.709 -14.544 -0.333 1.00 0.00 H new ATOM 724 N GLN A 49 9.267 -11.946 -2.747 1.00 0.00 N ATOM 725 CA GLN A 49 10.196 -11.053 -3.426 1.00 0.00 C ATOM 726 C GLN A 49 9.505 -10.408 -4.640 1.00 0.00 C ATOM 727 O GLN A 49 9.636 -9.216 -4.896 1.00 0.00 O ATOM 728 CB GLN A 49 11.458 -11.876 -3.817 1.00 0.00 C ATOM 729 CG GLN A 49 12.434 -11.245 -4.807 1.00 0.00 C ATOM 730 CD GLN A 49 12.247 -11.772 -6.226 1.00 0.00 C ATOM 731 OE1 GLN A 49 12.851 -12.766 -6.609 1.00 0.00 O ATOM 732 NE2 GLN A 49 11.420 -11.131 -7.015 1.00 0.00 N ATOM 0 H GLN A 49 9.599 -12.910 -2.724 1.00 0.00 H new ATOM 0 HA GLN A 49 10.508 -10.235 -2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.007 -12.104 -2.903 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.124 -12.826 -4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.301 -10.163 -4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.455 -11.442 -4.481 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.927 -10.305 -6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.269 -11.458 -7.969 1.00 0.00 H new ATOM 741 N LEU A 50 8.795 -11.228 -5.399 1.00 0.00 N ATOM 742 CA LEU A 50 7.971 -10.820 -6.516 1.00 0.00 C ATOM 743 C LEU A 50 6.870 -9.927 -6.010 1.00 0.00 C ATOM 744 O LEU A 50 6.584 -8.875 -6.594 1.00 0.00 O ATOM 745 CB LEU A 50 7.287 -12.054 -7.101 1.00 0.00 C ATOM 746 CG LEU A 50 7.233 -12.235 -8.610 1.00 0.00 C ATOM 747 CD1 LEU A 50 6.005 -13.044 -8.979 1.00 0.00 C ATOM 748 CD2 LEU A 50 7.295 -10.922 -9.356 1.00 0.00 C ATOM 0 H LEU A 50 8.779 -12.236 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 50 8.592 -10.314 -7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.783 -12.931 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.261 -12.064 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 50 8.122 -12.785 -8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.966 -13.174 -10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.055 -14.021 -8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.110 -12.520 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.253 -11.111 -10.429 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.451 -10.297 -9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.226 -10.410 -9.114 1.00 0.00 H new ATOM 760 N LEU A 51 6.298 -10.361 -4.885 1.00 0.00 N ATOM 761 CA LEU A 51 5.122 -9.765 -4.255 1.00 0.00 C ATOM 762 C LEU A 51 5.275 -8.281 -4.001 1.00 0.00 C ATOM 763 O LEU A 51 4.317 -7.526 -4.050 1.00 0.00 O ATOM 764 CB LEU A 51 4.808 -10.463 -2.943 1.00 0.00 C ATOM 765 CG LEU A 51 3.589 -9.948 -2.200 1.00 0.00 C ATOM 766 CD1 LEU A 51 2.332 -10.246 -2.985 1.00 0.00 C ATOM 767 CD2 LEU A 51 3.517 -10.522 -0.797 1.00 0.00 C ATOM 0 H LEU A 51 6.655 -11.166 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 51 4.301 -9.898 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.668 -11.525 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.675 -10.373 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 51 3.679 -8.866 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.465 -9.871 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.387 -9.759 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.236 -11.323 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.633 -10.134 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.457 -11.609 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.409 -10.235 -0.240 1.00 0.00 H new ATOM 779 N TYR A 52 6.492 -7.869 -3.916 1.00 0.00 N ATOM 780 CA TYR A 52 6.891 -6.554 -3.556 1.00 0.00 C ATOM 781 C TYR A 52 6.704 -5.638 -4.723 1.00 0.00 C ATOM 782 O TYR A 52 6.053 -4.621 -4.634 1.00 0.00 O ATOM 783 CB TYR A 52 8.347 -6.694 -3.259 1.00 0.00 C ATOM 784 CG TYR A 52 9.064 -5.542 -2.571 1.00 0.00 C ATOM 785 CD1 TYR A 52 8.410 -4.372 -2.201 1.00 0.00 C ATOM 786 CD2 TYR A 52 10.416 -5.650 -2.281 1.00 0.00 C ATOM 787 CE1 TYR A 52 9.086 -3.345 -1.565 1.00 0.00 C ATOM 788 CE2 TYR A 52 11.098 -4.634 -1.646 1.00 0.00 C ATOM 789 CZ TYR A 52 10.432 -3.485 -1.290 1.00 0.00 C ATOM 790 OH TYR A 52 11.120 -2.475 -0.662 1.00 0.00 O ATOM 0 H TYR A 52 7.285 -8.481 -4.108 1.00 0.00 H new ATOM 0 HA TYR A 52 6.321 -6.147 -2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.474 -7.581 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.860 -6.888 -4.201 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.357 -4.263 -2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.946 -6.549 -2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.565 -2.441 -1.286 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.151 -4.740 -1.429 1.00 0.00 H new ATOM 0 HH TYR A 52 12.056 -2.740 -0.545 1.00 0.00 H new ATOM 800 N LEU A 53 7.195 -6.105 -5.830 1.00 0.00 N ATOM 801 CA LEU A 53 7.110 -5.241 -6.980 1.00 0.00 C ATOM 802 C LEU A 53 5.680 -5.230 -7.470 1.00 0.00 C ATOM 803 O LEU A 53 5.231 -4.259 -8.070 1.00 0.00 O ATOM 804 CB LEU A 53 8.177 -5.578 -8.054 1.00 0.00 C ATOM 805 CG LEU A 53 8.014 -6.847 -8.894 1.00 0.00 C ATOM 806 CD1 LEU A 53 7.125 -6.582 -10.101 1.00 0.00 C ATOM 807 CD2 LEU A 53 9.370 -7.381 -9.328 1.00 0.00 C ATOM 0 H LEU A 53 7.632 -7.016 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 53 7.362 -4.217 -6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.229 -4.734 -8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.142 -5.639 -7.551 1.00 0.00 H new ATOM 0 HG LEU A 53 7.532 -7.606 -8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.022 -7.497 -10.685 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.142 -6.254 -9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.574 -5.805 -10.720 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.232 -8.283 -9.924 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.884 -6.627 -9.924 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.967 -7.616 -8.447 1.00 0.00 H new ATOM 819 N LYS A 54 4.971 -6.333 -7.208 1.00 0.00 N ATOM 820 CA LYS A 54 3.563 -6.366 -7.571 1.00 0.00 C ATOM 821 C LYS A 54 2.771 -5.404 -6.776 1.00 0.00 C ATOM 822 O LYS A 54 2.398 -4.393 -7.273 1.00 0.00 O ATOM 823 CB LYS A 54 2.816 -7.657 -7.339 1.00 0.00 C ATOM 824 CG LYS A 54 3.615 -8.909 -7.156 1.00 0.00 C ATOM 825 CD LYS A 54 3.917 -9.589 -8.449 1.00 0.00 C ATOM 826 CE LYS A 54 4.667 -8.708 -9.415 1.00 0.00 C ATOM 827 NZ LYS A 54 4.836 -9.339 -10.747 1.00 0.00 N ATOM 0 H LYS A 54 5.334 -7.177 -6.765 1.00 0.00 H new ATOM 0 HA LYS A 54 3.634 -6.160 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.192 -7.527 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.144 -7.810 -8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.549 -8.669 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.068 -9.594 -6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.504 -10.486 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.984 -9.913 -8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.134 -7.764 -9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.648 -8.473 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.827 -9.251 -11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.580 -10.345 -10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.220 -8.864 -11.437 1.00 0.00 H new ATOM 841 N GLU A 55 2.760 -5.662 -5.490 1.00 0.00 N ATOM 842 CA GLU A 55 1.703 -4.995 -4.738 1.00 0.00 C ATOM 843 C GLU A 55 1.899 -3.520 -4.723 1.00 0.00 C ATOM 844 O GLU A 55 0.971 -2.753 -4.825 1.00 0.00 O ATOM 845 CB GLU A 55 1.495 -5.513 -3.328 1.00 0.00 C ATOM 846 CG GLU A 55 2.655 -5.307 -2.389 1.00 0.00 C ATOM 847 CD GLU A 55 2.183 -5.374 -0.963 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.019 -6.488 -0.441 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.934 -4.301 -0.373 1.00 0.00 O ATOM 0 H GLU A 55 3.399 -6.266 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 55 0.788 -5.240 -5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.616 -5.026 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.275 -6.579 -3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.415 -6.068 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.121 -4.341 -2.581 1.00 0.00 H new ATOM 856 N ILE A 56 3.116 -3.160 -4.651 1.00 0.00 N ATOM 857 CA ILE A 56 3.367 -1.746 -4.526 1.00 0.00 C ATOM 858 C ILE A 56 3.153 -0.969 -5.842 1.00 0.00 C ATOM 859 O ILE A 56 2.751 0.187 -5.811 1.00 0.00 O ATOM 860 CB ILE A 56 4.716 -1.400 -3.898 1.00 0.00 C ATOM 861 CG1 ILE A 56 5.832 -1.719 -4.890 1.00 0.00 C ATOM 862 CG2 ILE A 56 4.902 -2.153 -2.580 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.218 -1.610 -4.318 1.00 0.00 C ATOM 0 H ILE A 56 3.932 -3.771 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 56 2.606 -1.411 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 56 4.751 -0.335 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.687 -2.730 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.749 -1.044 -5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.868 -1.895 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.108 -1.876 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.863 -3.226 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.950 -1.853 -5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.387 -0.593 -3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.324 -2.305 -3.485 1.00 0.00 H new ATOM 875 N SER A 57 3.377 -1.606 -6.975 1.00 0.00 N ATOM 876 CA SER A 57 3.231 -0.930 -8.262 1.00 0.00 C ATOM 877 C SER A 57 1.821 -1.198 -8.791 1.00 0.00 C ATOM 878 O SER A 57 1.200 -0.381 -9.469 1.00 0.00 O ATOM 879 CB SER A 57 4.302 -1.446 -9.243 1.00 0.00 C ATOM 880 OG SER A 57 4.323 -0.726 -10.471 1.00 0.00 O ATOM 0 H SER A 57 3.659 -2.584 -7.037 1.00 0.00 H new ATOM 0 HA SER A 57 3.371 0.145 -8.150 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.282 -1.378 -8.771 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.120 -2.501 -9.449 1.00 0.00 H new ATOM 0 HG SER A 57 5.020 -1.093 -11.054 1.00 0.00 H new ATOM 886 N HIS A 58 1.369 -2.371 -8.489 1.00 0.00 N ATOM 887 CA HIS A 58 0.075 -2.856 -8.818 1.00 0.00 C ATOM 888 C HIS A 58 -0.965 -2.327 -7.842 1.00 0.00 C ATOM 889 O HIS A 58 -1.626 -1.356 -8.177 1.00 0.00 O ATOM 890 CB HIS A 58 0.162 -4.389 -9.008 1.00 0.00 C ATOM 891 CG HIS A 58 -1.050 -5.242 -8.911 1.00 0.00 C ATOM 892 ND1 HIS A 58 -1.292 -5.921 -7.750 1.00 0.00 N ATOM 893 CD2 HIS A 58 -1.924 -5.646 -9.861 1.00 0.00 C ATOM 894 CE1 HIS A 58 -2.287 -6.731 -8.008 1.00 0.00 C ATOM 895 NE2 HIS A 58 -2.709 -6.608 -9.272 1.00 0.00 N ATOM 0 H HIS A 58 1.928 -3.053 -7.976 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.286 -2.472 -9.772 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.598 -4.565 -9.991 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.875 -4.762 -8.272 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.991 -5.286 -10.877 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.715 -7.414 -7.289 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -3.467 -7.128 -9.713 1.00 0.00 H new ATOM 903 N ALA A 59 -1.095 -2.814 -6.618 1.00 0.00 N ATOM 904 CA ALA A 59 -2.138 -2.472 -5.673 1.00 0.00 C ATOM 905 C ALA A 59 -1.940 -1.075 -5.103 1.00 0.00 C ATOM 906 O ALA A 59 -2.774 -0.208 -5.303 1.00 0.00 O ATOM 907 CB ALA A 59 -2.097 -3.477 -4.544 1.00 0.00 C ATOM 0 H ALA A 59 -0.437 -3.496 -6.240 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.099 -2.491 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.875 -3.240 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.264 -4.478 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.122 -3.438 -4.058 1.00 0.00 H new ATOM 913 N LEU A 60 -0.815 -0.857 -4.412 1.00 0.00 N ATOM 914 CA LEU A 60 -0.536 0.424 -3.760 1.00 0.00 C ATOM 915 C LEU A 60 -0.544 1.557 -4.730 1.00 0.00 C ATOM 916 O LEU A 60 -1.309 2.465 -4.576 1.00 0.00 O ATOM 917 CB LEU A 60 0.763 0.446 -2.973 1.00 0.00 C ATOM 918 CG LEU A 60 0.773 -0.251 -1.613 1.00 0.00 C ATOM 919 CD1 LEU A 60 0.441 -1.734 -1.698 1.00 0.00 C ATOM 920 CD2 LEU A 60 2.108 -0.014 -0.944 1.00 0.00 C ATOM 0 H LEU A 60 -0.082 -1.555 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.351 0.548 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.538 -0.008 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.047 1.487 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.021 0.185 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.465 -2.170 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.554 -1.860 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.174 -2.235 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.121 -0.509 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.905 -0.418 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.262 1.056 -0.808 1.00 0.00 H new ATOM 932 N LYS A 61 0.266 1.484 -5.752 1.00 0.00 N ATOM 933 CA LYS A 61 0.311 2.536 -6.751 1.00 0.00 C ATOM 934 C LYS A 61 -1.088 2.822 -7.328 1.00 0.00 C ATOM 935 O LYS A 61 -1.393 3.962 -7.642 1.00 0.00 O ATOM 936 CB LYS A 61 1.316 2.186 -7.847 1.00 0.00 C ATOM 937 CG LYS A 61 1.492 3.206 -8.979 1.00 0.00 C ATOM 938 CD LYS A 61 2.464 4.355 -8.668 1.00 0.00 C ATOM 939 CE LYS A 61 2.035 5.265 -7.522 1.00 0.00 C ATOM 940 NZ LYS A 61 2.956 6.427 -7.400 1.00 0.00 N ATOM 0 H LYS A 61 0.907 0.709 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 61 0.647 3.454 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.287 2.028 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.018 1.236 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.843 2.683 -9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.517 3.629 -9.222 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.440 3.932 -8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.588 4.960 -9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.018 5.617 -7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.026 4.703 -6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.657 7.025 -6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.924 6.086 -7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.932 6.983 -8.279 1.00 0.00 H new ATOM 954 N SER A 62 -1.988 1.845 -7.301 1.00 0.00 N ATOM 955 CA SER A 62 -3.301 2.039 -7.838 1.00 0.00 C ATOM 956 C SER A 62 -4.276 2.620 -6.806 1.00 0.00 C ATOM 957 O SER A 62 -4.795 3.739 -6.954 1.00 0.00 O ATOM 958 CB SER A 62 -3.811 0.743 -8.447 1.00 0.00 C ATOM 959 OG SER A 62 -3.001 0.376 -9.553 1.00 0.00 O ATOM 0 H SER A 62 -1.819 0.918 -6.911 1.00 0.00 H new ATOM 0 HA SER A 62 -3.235 2.785 -8.630 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.800 -0.049 -7.699 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.846 0.864 -8.768 1.00 0.00 H new ATOM 0 HG SER A 62 -2.529 -0.459 -9.350 1.00 0.00 H new ATOM 965 N SER A 63 -4.446 1.904 -5.729 1.00 0.00 N ATOM 966 CA SER A 63 -5.386 2.205 -4.720 1.00 0.00 C ATOM 967 C SER A 63 -4.887 3.365 -3.903 1.00 0.00 C ATOM 968 O SER A 63 -5.655 4.202 -3.509 1.00 0.00 O ATOM 969 CB SER A 63 -5.502 0.980 -3.841 1.00 0.00 C ATOM 970 OG SER A 63 -5.820 -0.156 -4.607 1.00 0.00 O ATOM 0 H SER A 63 -3.903 1.062 -5.536 1.00 0.00 H new ATOM 0 HA SER A 63 -6.352 2.469 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.563 0.816 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.270 1.141 -3.085 1.00 0.00 H new ATOM 0 HG SER A 63 -5.003 -0.518 -5.011 1.00 0.00 H new ATOM 976 N ALA A 64 -3.593 3.401 -3.664 1.00 0.00 N ATOM 977 CA ALA A 64 -3.025 4.450 -2.834 1.00 0.00 C ATOM 978 C ALA A 64 -2.963 5.741 -3.596 1.00 0.00 C ATOM 979 O ALA A 64 -3.097 6.767 -3.026 1.00 0.00 O ATOM 980 CB ALA A 64 -1.675 4.094 -2.227 1.00 0.00 C ATOM 0 H ALA A 64 -2.919 2.726 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.696 4.569 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.317 4.927 -1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.780 3.209 -1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.960 3.891 -3.024 1.00 0.00 H new ATOM 986 N ALA A 65 -2.851 5.694 -4.902 1.00 0.00 N ATOM 987 CA ALA A 65 -2.911 6.927 -5.700 1.00 0.00 C ATOM 988 C ALA A 65 -4.273 7.585 -5.481 1.00 0.00 C ATOM 989 O ALA A 65 -4.431 8.804 -5.594 1.00 0.00 O ATOM 990 CB ALA A 65 -2.717 6.634 -7.173 1.00 0.00 C ATOM 0 H ALA A 65 -2.720 4.838 -5.441 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.110 7.594 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.766 7.564 -7.739 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.744 6.167 -7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.501 5.959 -7.516 1.00 0.00 H new ATOM 996 N SER A 66 -5.249 6.754 -5.178 1.00 0.00 N ATOM 997 CA SER A 66 -6.544 7.221 -4.797 1.00 0.00 C ATOM 998 C SER A 66 -6.647 7.446 -3.269 1.00 0.00 C ATOM 999 O SER A 66 -7.015 8.532 -2.837 1.00 0.00 O ATOM 1000 CB SER A 66 -7.602 6.231 -5.278 1.00 0.00 C ATOM 1001 OG SER A 66 -7.481 6.011 -6.678 1.00 0.00 O ATOM 0 H SER A 66 -5.156 5.738 -5.192 1.00 0.00 H new ATOM 0 HA SER A 66 -6.715 8.188 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.493 5.286 -4.745 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.597 6.613 -5.049 1.00 0.00 H new ATOM 0 HG SER A 66 -8.165 5.373 -6.969 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.265 6.462 -2.435 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.577 6.576 -0.977 1.00 0.00 C ATOM 1009 C PHE A 67 -5.390 6.934 -0.073 1.00 0.00 C ATOM 1010 O PHE A 67 -5.482 6.940 1.159 1.00 0.00 O ATOM 1011 CB PHE A 67 -7.280 5.312 -0.451 1.00 0.00 C ATOM 1012 CG PHE A 67 -6.502 3.992 -0.395 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -5.186 3.916 0.043 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -7.131 2.813 -0.736 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -4.528 2.709 0.125 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -6.478 1.599 -0.660 1.00 0.00 C ATOM 1017 CZ PHE A 67 -5.173 1.546 -0.230 1.00 0.00 C ATOM 0 H PHE A 67 -5.766 5.617 -2.713 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.252 7.430 -0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.632 5.528 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.163 5.147 -1.068 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.669 4.821 0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.158 2.840 -1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.505 2.675 0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.992 0.691 -0.938 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.658 0.599 -0.171 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.325 7.274 -0.688 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.089 7.506 0.031 1.00 0.00 C ATOM 1029 C GLY A 68 -2.085 8.140 -0.863 1.00 0.00 C ATOM 1030 O GLY A 68 -0.898 7.819 -0.852 1.00 0.00 O ATOM 0 H GLY A 68 -4.262 7.405 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.276 8.147 0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.701 6.563 0.415 1.00 0.00 H new ATOM 1034 N ALA A 69 -2.610 9.092 -1.595 1.00 0.00 N ATOM 1035 CA ALA A 69 -1.818 9.834 -2.581 1.00 0.00 C ATOM 1036 C ALA A 69 -0.889 10.833 -1.865 1.00 0.00 C ATOM 1037 O ALA A 69 -0.577 11.902 -2.377 1.00 0.00 O ATOM 1038 CB ALA A 69 -2.764 10.582 -3.510 1.00 0.00 C ATOM 0 H ALA A 69 -3.586 9.382 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.206 9.140 -3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.185 11.138 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.413 9.869 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.372 11.275 -2.929 1.00 0.00 H new ATOM 1044 N ASP A 70 -0.495 10.476 -0.668 1.00 0.00 N ATOM 1045 CA ASP A 70 0.266 11.286 0.235 1.00 0.00 C ATOM 1046 C ASP A 70 1.511 10.423 0.493 1.00 0.00 C ATOM 1047 O ASP A 70 2.062 9.881 -0.492 1.00 0.00 O ATOM 1048 CB ASP A 70 -0.601 11.519 1.467 1.00 0.00 C ATOM 1049 CG ASP A 70 -0.045 12.536 2.418 1.00 0.00 C ATOM 1050 OD1 ASP A 70 -0.120 13.740 2.136 1.00 0.00 O ATOM 1051 OD2 ASP A 70 0.464 12.137 3.454 1.00 0.00 O ATOM 0 H ASP A 70 -0.712 9.558 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 70 0.560 12.275 -0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.592 11.840 1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.727 10.574 1.994 1.00 0.00 H new ATOM 1056 N ARG A 71 1.997 10.185 1.714 1.00 0.00 N ATOM 1057 CA ARG A 71 3.178 9.401 2.072 1.00 0.00 C ATOM 1058 C ARG A 71 3.281 8.027 1.459 1.00 0.00 C ATOM 1059 O ARG A 71 4.217 7.762 0.754 1.00 0.00 O ATOM 1060 CB ARG A 71 3.256 9.212 3.578 1.00 0.00 C ATOM 1061 CG ARG A 71 3.920 10.334 4.338 1.00 0.00 C ATOM 1062 CD ARG A 71 3.047 11.552 4.410 1.00 0.00 C ATOM 1063 NE ARG A 71 3.686 12.705 5.015 1.00 0.00 N ATOM 1064 CZ ARG A 71 3.084 13.887 5.168 1.00 0.00 C ATOM 1065 NH1 ARG A 71 1.837 14.077 4.730 1.00 0.00 N ATOM 1066 NH2 ARG A 71 3.739 14.882 5.738 1.00 0.00 N ATOM 0 H ARG A 71 1.538 10.566 2.541 1.00 0.00 H new ATOM 0 HA ARG A 71 3.997 9.995 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.245 9.083 3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.796 8.288 3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.159 9.998 5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.863 10.591 3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.726 11.815 3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.149 11.309 4.977 1.00 0.00 H new ATOM 0 HE ARG A 71 4.647 12.608 5.341 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.335 13.315 4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.386 14.984 4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.698 14.745 6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.286 15.788 5.858 1.00 0.00 H new ATOM 1080 N LEU A 72 2.317 7.173 1.724 1.00 0.00 N ATOM 1081 CA LEU A 72 2.469 5.768 1.282 1.00 0.00 C ATOM 1082 C LEU A 72 2.713 5.667 -0.221 1.00 0.00 C ATOM 1083 O LEU A 72 3.374 4.760 -0.692 1.00 0.00 O ATOM 1084 CB LEU A 72 1.332 4.826 1.706 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.086 5.196 1.291 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -0.970 3.973 1.345 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -0.639 6.229 2.235 1.00 0.00 C ATOM 0 H LEU A 72 1.452 7.392 2.218 1.00 0.00 H new ATOM 0 HA LEU A 72 3.354 5.419 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.551 3.836 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.353 4.743 2.793 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.062 5.593 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.983 4.243 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.582 3.214 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.983 3.578 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.653 6.491 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.653 5.826 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.011 7.120 2.208 1.00 0.00 H new ATOM 1099 N CYS A 73 2.308 6.704 -0.913 1.00 0.00 N ATOM 1100 CA CYS A 73 2.421 6.698 -2.346 1.00 0.00 C ATOM 1101 C CYS A 73 3.896 6.763 -2.747 1.00 0.00 C ATOM 1102 O CYS A 73 4.458 5.807 -3.284 1.00 0.00 O ATOM 1103 CB CYS A 73 1.587 7.820 -2.983 1.00 0.00 C ATOM 1104 SG CYS A 73 1.633 7.901 -4.790 1.00 0.00 S ATOM 0 H CYS A 73 1.903 7.550 -0.512 1.00 0.00 H new ATOM 0 HA CYS A 73 2.009 5.765 -2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.550 7.700 -2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.932 8.775 -2.586 1.00 0.00 H new ATOM 0 HG CYS A 73 1.328 6.738 -5.284 1.00 0.00 H new ATOM 1110 N GLU A 74 4.572 7.805 -2.358 1.00 0.00 N ATOM 1111 CA GLU A 74 5.954 7.968 -2.812 1.00 0.00 C ATOM 1112 C GLU A 74 6.906 7.737 -1.691 1.00 0.00 C ATOM 1113 O GLU A 74 7.971 7.133 -1.865 1.00 0.00 O ATOM 1114 CB GLU A 74 6.177 9.356 -3.400 1.00 0.00 C ATOM 1115 CG GLU A 74 7.629 9.644 -3.752 1.00 0.00 C ATOM 1116 CD GLU A 74 7.857 11.049 -4.221 1.00 0.00 C ATOM 1117 OE1 GLU A 74 7.898 11.968 -3.380 1.00 0.00 O ATOM 1118 OE2 GLU A 74 8.033 11.256 -5.436 1.00 0.00 O ATOM 0 H GLU A 74 4.219 8.542 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 74 6.136 7.227 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.567 9.464 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.830 10.103 -2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.252 9.454 -2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.951 8.952 -4.530 1.00 0.00 H new ATOM 1125 N ARG A 75 6.488 8.168 -0.541 1.00 0.00 N ATOM 1126 CA ARG A 75 7.325 8.085 0.605 1.00 0.00 C ATOM 1127 C ARG A 75 7.497 6.598 0.920 1.00 0.00 C ATOM 1128 O ARG A 75 8.492 6.194 1.454 1.00 0.00 O ATOM 1129 CB ARG A 75 6.669 8.890 1.758 1.00 0.00 C ATOM 1130 CG ARG A 75 7.255 8.751 3.162 1.00 0.00 C ATOM 1131 CD ARG A 75 6.935 7.393 3.767 1.00 0.00 C ATOM 1132 NE ARG A 75 7.700 7.073 4.969 1.00 0.00 N ATOM 1133 CZ ARG A 75 8.319 5.901 5.152 1.00 0.00 C ATOM 1134 NH1 ARG A 75 8.528 5.104 4.102 1.00 0.00 N ATOM 1135 NH2 ARG A 75 8.808 5.586 6.350 1.00 0.00 N ATOM 0 H ARG A 75 5.570 8.581 -0.376 1.00 0.00 H new ATOM 0 HA ARG A 75 8.313 8.519 0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.701 9.945 1.487 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.618 8.605 1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.336 8.887 3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.858 9.539 3.803 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.872 7.357 4.007 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.119 6.623 3.018 1.00 0.00 H new ATOM 0 HE ARG A 75 7.766 7.777 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.217 5.391 3.174 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.999 4.208 4.228 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.711 6.238 7.128 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.280 4.693 6.489 1.00 0.00 H new ATOM 1149 N ALA A 76 6.542 5.758 0.577 1.00 0.00 N ATOM 1150 CA ALA A 76 6.786 4.379 0.846 1.00 0.00 C ATOM 1151 C ALA A 76 7.568 3.844 -0.316 1.00 0.00 C ATOM 1152 O ALA A 76 8.700 3.483 -0.180 1.00 0.00 O ATOM 1153 CB ALA A 76 5.496 3.618 1.049 1.00 0.00 C ATOM 0 H ALA A 76 5.651 5.993 0.141 1.00 0.00 H new ATOM 0 HA ALA A 76 7.348 4.260 1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.719 2.571 1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.952 4.043 1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.885 3.691 0.149 1.00 0.00 H new ATOM 1159 N ILE A 77 6.980 4.001 -1.477 1.00 0.00 N ATOM 1160 CA ILE A 77 7.559 3.358 -2.660 1.00 0.00 C ATOM 1161 C ILE A 77 9.070 3.544 -2.891 1.00 0.00 C ATOM 1162 O ILE A 77 9.857 2.548 -2.967 1.00 0.00 O ATOM 1163 CB ILE A 77 6.686 3.544 -3.914 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.296 2.907 -3.672 1.00 0.00 C ATOM 1165 CG2 ILE A 77 7.338 2.980 -5.175 1.00 0.00 C ATOM 1166 CD1 ILE A 77 5.288 1.825 -2.603 1.00 0.00 C ATOM 0 H ILE A 77 6.132 4.545 -1.640 1.00 0.00 H new ATOM 0 HA ILE A 77 7.529 2.297 -2.414 1.00 0.00 H new ATOM 0 HB ILE A 77 6.572 4.614 -4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.594 3.690 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.935 2.481 -4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.678 3.139 -6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.287 3.486 -5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.514 1.912 -5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.278 1.429 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.963 1.021 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.617 2.249 -1.654 1.00 0.00 H new ATOM 1178 N ALA A 78 9.520 4.745 -2.705 1.00 0.00 N ATOM 1179 CA ALA A 78 10.850 5.114 -3.048 1.00 0.00 C ATOM 1180 C ALA A 78 11.701 4.978 -1.813 1.00 0.00 C ATOM 1181 O ALA A 78 12.792 4.383 -1.844 1.00 0.00 O ATOM 1182 CB ALA A 78 10.880 6.546 -3.562 1.00 0.00 C ATOM 0 H ALA A 78 8.965 5.502 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 78 11.233 4.468 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.903 6.818 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.247 6.629 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.511 7.218 -2.787 1.00 0.00 H new ATOM 1188 N ILE A 79 11.100 5.382 -0.691 1.00 0.00 N ATOM 1189 CA ILE A 79 11.789 5.574 0.555 1.00 0.00 C ATOM 1190 C ILE A 79 11.807 4.312 1.363 1.00 0.00 C ATOM 1191 O ILE A 79 12.611 4.165 2.332 1.00 0.00 O ATOM 1192 CB ILE A 79 11.134 6.729 1.280 1.00 0.00 C ATOM 1193 CG1 ILE A 79 11.044 7.882 0.282 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.881 7.138 2.552 1.00 0.00 C ATOM 1195 CD1 ILE A 79 12.343 8.604 -0.027 1.00 0.00 C ATOM 0 H ILE A 79 10.102 5.584 -0.639 1.00 0.00 H new ATOM 0 HA ILE A 79 12.836 5.821 0.379 1.00 0.00 H new ATOM 0 HB ILE A 79 10.144 6.432 1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.636 7.496 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.329 8.611 0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.362 7.971 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.917 6.293 3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.896 7.441 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.154 9.401 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.749 9.031 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.060 7.899 -0.447 1.00 0.00 H new ATOM 1207 N ASP A 80 11.289 3.268 0.764 1.00 0.00 N ATOM 1208 CA ASP A 80 11.238 2.002 1.327 1.00 0.00 C ATOM 1209 C ASP A 80 12.279 1.212 0.824 1.00 0.00 C ATOM 1210 O ASP A 80 13.158 0.874 1.603 1.00 0.00 O ATOM 1211 CB ASP A 80 9.878 1.289 1.292 1.00 0.00 C ATOM 1212 CG ASP A 80 9.005 1.653 2.485 1.00 0.00 C ATOM 1213 OD1 ASP A 80 8.870 2.851 2.812 1.00 0.00 O ATOM 1214 OD2 ASP A 80 8.528 0.743 3.177 1.00 0.00 O ATOM 0 H ASP A 80 10.881 3.312 -0.170 1.00 0.00 H new ATOM 0 HA ASP A 80 11.381 2.158 2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.357 1.549 0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.036 0.211 1.275 1.00 0.00 H new ATOM 1219 N LYS A 81 12.261 0.988 -0.502 1.00 0.00 N ATOM 1220 CA LYS A 81 13.301 0.170 -1.049 1.00 0.00 C ATOM 1221 C LYS A 81 14.673 0.582 -0.514 1.00 0.00 C ATOM 1222 O LYS A 81 15.332 -0.241 0.148 1.00 0.00 O ATOM 1223 CB LYS A 81 13.169 -0.120 -2.567 1.00 0.00 C ATOM 1224 CG LYS A 81 12.735 1.020 -3.494 1.00 0.00 C ATOM 1225 CD LYS A 81 13.841 2.000 -3.807 1.00 0.00 C ATOM 1226 CE LYS A 81 13.496 2.858 -5.009 1.00 0.00 C ATOM 1227 NZ LYS A 81 14.636 3.700 -5.434 1.00 0.00 N ATOM 0 H LYS A 81 11.572 1.347 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 81 13.168 -0.842 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.134 -0.485 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.456 -0.935 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.362 0.597 -4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.906 1.556 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.019 2.638 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.767 1.457 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.190 2.217 -5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.645 3.495 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.358 4.270 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.912 4.330 -4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.440 3.092 -5.689 1.00 0.00 H new ATOM 1241 N LYS A 82 15.062 1.857 -0.734 1.00 0.00 N ATOM 1242 CA LYS A 82 16.249 2.471 -0.107 1.00 0.00 C ATOM 1243 C LYS A 82 16.675 1.954 1.233 1.00 0.00 C ATOM 1244 O LYS A 82 17.597 1.114 1.343 1.00 0.00 O ATOM 1245 CB LYS A 82 16.001 3.904 0.096 1.00 0.00 C ATOM 1246 CG LYS A 82 16.006 4.758 -1.122 1.00 0.00 C ATOM 1247 CD LYS A 82 15.092 5.900 -0.833 1.00 0.00 C ATOM 1248 CE LYS A 82 15.458 6.619 0.458 1.00 0.00 C ATOM 1249 NZ LYS A 82 16.788 7.272 0.377 1.00 0.00 N ATOM 0 H LYS A 82 14.558 2.490 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 82 17.045 2.223 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.035 4.017 0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.755 4.287 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.013 5.112 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.665 4.197 -1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.124 6.607 -1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.067 5.535 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.700 7.369 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.454 5.906 1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.989 7.763 1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.519 6.552 0.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.790 7.959 -0.404 1.00 0.00 H new ATOM 1263 N ALA A 83 15.956 2.249 2.261 1.00 0.00 N ATOM 1264 CA ALA A 83 16.546 2.085 3.554 1.00 0.00 C ATOM 1265 C ALA A 83 15.583 1.467 4.426 1.00 0.00 C ATOM 1266 O ALA A 83 15.943 0.890 5.378 1.00 0.00 O ATOM 1267 CB ALA A 83 16.995 3.427 4.116 1.00 0.00 C ATOM 0 H ALA A 83 14.996 2.592 2.243 1.00 0.00 H new ATOM 0 HA ALA A 83 17.428 1.450 3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 83 17.441 3.279 5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.731 3.873 3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.135 4.091 4.204 1.00 0.00 H new ATOM 1273 N LYS A 84 14.362 1.796 4.183 1.00 0.00 N ATOM 1274 CA LYS A 84 13.391 0.984 4.873 1.00 0.00 C ATOM 1275 C LYS A 84 13.725 -0.439 4.696 1.00 0.00 C ATOM 1276 O LYS A 84 13.961 -1.149 5.679 1.00 0.00 O ATOM 1277 CB LYS A 84 12.050 1.134 4.310 1.00 0.00 C ATOM 1278 CG LYS A 84 11.433 2.378 4.716 1.00 0.00 C ATOM 1279 CD LYS A 84 10.962 2.162 6.139 1.00 0.00 C ATOM 1280 CE LYS A 84 9.615 1.385 6.255 1.00 0.00 C ATOM 1281 NZ LYS A 84 9.500 0.088 5.502 1.00 0.00 N ATOM 0 H LYS A 84 14.022 2.542 3.577 1.00 0.00 H new ATOM 0 HA LYS A 84 13.409 1.302 5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.106 1.094 3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.427 0.298 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.143 3.203 4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.598 2.632 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.731 1.617 6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.852 3.132 6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.434 1.180 7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.815 2.044 5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.616 -0.391 5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.495 0.279 4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.309 -0.522 5.736 1.00 0.00 H new ATOM 1295 N ALA A 85 13.867 -0.855 3.457 1.00 0.00 N ATOM 1296 CA ALA A 85 14.018 -2.234 3.251 1.00 0.00 C ATOM 1297 C ALA A 85 15.403 -2.691 3.676 1.00 0.00 C ATOM 1298 O ALA A 85 15.556 -3.808 4.243 1.00 0.00 O ATOM 1299 CB ALA A 85 13.716 -2.551 1.801 1.00 0.00 C ATOM 0 H ALA A 85 13.878 -0.268 2.623 1.00 0.00 H new ATOM 0 HA ALA A 85 13.312 -2.787 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.831 -3.622 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.693 -2.254 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.407 -2.005 1.158 1.00 0.00 H new ATOM 1305 N ASN A 86 16.422 -1.830 3.500 1.00 0.00 N ATOM 1306 CA ASN A 86 17.777 -2.263 3.872 1.00 0.00 C ATOM 1307 C ASN A 86 18.103 -2.078 5.345 1.00 0.00 C ATOM 1308 O ASN A 86 18.958 -2.770 5.878 1.00 0.00 O ATOM 1309 CB ASN A 86 18.823 -1.516 3.044 1.00 0.00 C ATOM 1310 CG ASN A 86 20.153 -2.261 2.978 1.00 0.00 C ATOM 1311 OD1 ASN A 86 21.044 -2.071 3.804 1.00 0.00 O ATOM 1312 ND2 ASN A 86 20.290 -3.135 1.990 1.00 0.00 N ATOM 0 H ASN A 86 16.343 -0.885 3.125 1.00 0.00 H new ATOM 0 HA ASN A 86 17.804 -3.333 3.666 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.443 -1.366 2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 86 18.984 -0.527 3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 86 21.153 -3.672 1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 86 19.533 -3.270 1.320 1.00 0.00 H new ATOM 1319 N GLN A 87 17.432 -1.167 6.007 1.00 0.00 N ATOM 1320 CA GLN A 87 17.728 -0.862 7.385 1.00 0.00 C ATOM 1321 C GLN A 87 17.055 -1.854 8.270 1.00 0.00 C ATOM 1322 O GLN A 87 17.566 -2.153 9.350 1.00 0.00 O ATOM 1323 CB GLN A 87 17.324 0.578 7.763 1.00 0.00 C ATOM 1324 CG GLN A 87 17.818 1.075 9.108 1.00 0.00 C ATOM 1325 CD GLN A 87 16.755 1.130 10.215 1.00 0.00 C ATOM 1326 OE1 GLN A 87 16.831 1.967 11.115 1.00 0.00 O ATOM 1327 NE2 GLN A 87 15.767 0.260 10.175 1.00 0.00 N ATOM 0 H GLN A 87 16.670 -0.619 5.608 1.00 0.00 H new ATOM 0 HA GLN A 87 18.807 -0.928 7.522 1.00 0.00 H new ATOM 0 HB2 GLN A 87 17.693 1.253 6.991 1.00 0.00 H new ATOM 0 HB3 GLN A 87 16.236 0.644 7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 87 18.632 0.430 9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 87 18.236 2.073 8.977 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.721 -0.426 9.421 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.047 0.272 10.898 1.00 0.00 H new ATOM 1336 N LEU A 88 15.905 -2.391 7.866 1.00 0.00 N ATOM 1337 CA LEU A 88 15.177 -3.381 8.598 1.00 0.00 C ATOM 1338 C LEU A 88 15.976 -4.653 8.713 1.00 0.00 C ATOM 1339 O LEU A 88 16.453 -5.007 9.795 1.00 0.00 O ATOM 1340 CB LEU A 88 13.822 -3.688 7.930 1.00 0.00 C ATOM 1341 CG LEU A 88 12.739 -2.615 8.023 1.00 0.00 C ATOM 1342 CD1 LEU A 88 11.378 -3.224 7.745 1.00 0.00 C ATOM 1343 CD2 LEU A 88 12.749 -1.901 9.369 1.00 0.00 C ATOM 0 H LEU A 88 15.454 -2.129 6.989 1.00 0.00 H new ATOM 0 HA LEU A 88 14.993 -2.978 9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 88 14.004 -3.894 6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 88 13.428 -4.604 8.370 1.00 0.00 H new ATOM 0 HG LEU A 88 12.954 -1.862 7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.613 -2.451 7.814 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.370 -3.655 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.172 -4.005 8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.962 -1.147 9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.577 -2.625 10.166 1.00 0.00 H new ATOM 0 HD23 LEU A 88 13.715 -1.419 9.518 1.00 0.00 H new ATOM 1355 N GLN A 89 16.115 -5.352 7.611 1.00 0.00 N ATOM 1356 CA GLN A 89 16.772 -6.633 7.530 1.00 0.00 C ATOM 1357 C GLN A 89 18.250 -6.376 7.443 1.00 0.00 C ATOM 1358 O GLN A 89 18.679 -5.574 6.614 1.00 0.00 O ATOM 1359 CB GLN A 89 16.346 -7.306 6.232 1.00 0.00 C ATOM 1360 CG GLN A 89 14.984 -6.858 5.771 1.00 0.00 C ATOM 1361 CD GLN A 89 14.530 -7.521 4.517 1.00 0.00 C ATOM 1362 OE1 GLN A 89 14.856 -8.650 4.242 1.00 0.00 O ATOM 1363 NE2 GLN A 89 13.802 -6.795 3.715 1.00 0.00 N ATOM 0 H GLN A 89 15.759 -5.030 6.711 1.00 0.00 H new ATOM 0 HA GLN A 89 16.522 -7.255 8.390 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.079 -7.088 5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.342 -8.387 6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.259 -7.057 6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.999 -5.779 5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.545 -5.844 3.980 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.489 -7.178 2.823 1.00 0.00 H new ATOM 1372 N GLU A 90 19.041 -7.106 8.196 1.00 0.00 N ATOM 1373 CA GLU A 90 20.469 -6.862 8.211 1.00 0.00 C ATOM 1374 C GLU A 90 21.061 -7.594 7.007 1.00 0.00 C ATOM 1375 O GLU A 90 22.215 -7.414 6.643 1.00 0.00 O ATOM 1376 CB GLU A 90 21.078 -7.441 9.482 1.00 0.00 C ATOM 1377 CG GLU A 90 20.874 -8.940 9.579 1.00 0.00 C ATOM 1378 CD GLU A 90 21.674 -9.587 10.671 1.00 0.00 C ATOM 1379 OE1 GLU A 90 22.899 -9.350 10.738 1.00 0.00 O ATOM 1380 OE2 GLU A 90 21.105 -10.401 11.433 1.00 0.00 O ATOM 0 H GLU A 90 18.727 -7.865 8.800 1.00 0.00 H new ATOM 0 HA GLU A 90 20.676 -5.792 8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 90 22.145 -7.218 9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 90 20.631 -6.958 10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 90 19.816 -9.144 9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 90 21.140 -9.397 8.626 1.00 0.00 H new ATOM 1387 N GLN A 91 20.217 -8.402 6.376 1.00 0.00 N ATOM 1388 CA GLN A 91 20.647 -9.197 5.258 1.00 0.00 C ATOM 1389 C GLN A 91 20.418 -8.454 3.963 1.00 0.00 C ATOM 1390 O GLN A 91 20.584 -9.018 2.884 1.00 0.00 O ATOM 1391 CB GLN A 91 19.956 -10.558 5.237 1.00 0.00 C ATOM 1392 CG GLN A 91 20.203 -11.381 6.481 1.00 0.00 C ATOM 1393 CD GLN A 91 19.664 -12.787 6.371 1.00 0.00 C ATOM 1394 OE1 GLN A 91 20.367 -13.704 5.941 1.00 0.00 O ATOM 1395 NE2 GLN A 91 18.427 -12.976 6.743 1.00 0.00 N ATOM 0 H GLN A 91 19.235 -8.516 6.627 1.00 0.00 H new ATOM 0 HA GLN A 91 21.716 -9.378 5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.883 -10.410 5.117 1.00 0.00 H new ATOM 0 HB3 GLN A 91 20.300 -11.117 4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 91 21.275 -11.422 6.677 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.742 -10.886 7.336 1.00 0.00 H new ATOM 0 HE21 GLN A 91 17.875 -12.194 7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 91 18.013 -13.906 6.683 1.00 0.00 H new ATOM 1404 N GLY A 92 20.065 -7.175 4.060 1.00 0.00 N ATOM 1405 CA GLY A 92 19.938 -6.398 2.866 1.00 0.00 C ATOM 1406 C GLY A 92 18.682 -6.645 2.058 1.00 0.00 C ATOM 1407 O GLY A 92 18.784 -7.187 0.967 1.00 0.00 O ATOM 0 H GLY A 92 19.871 -6.681 4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.974 -5.342 3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.802 -6.595 2.231 1.00 0.00 H new ATOM 1411 N MET A 93 17.497 -6.228 2.561 1.00 0.00 N ATOM 1412 CA MET A 93 16.232 -6.282 1.809 1.00 0.00 C ATOM 1413 C MET A 93 15.976 -7.539 0.991 1.00 0.00 C ATOM 1414 O MET A 93 15.894 -7.511 -0.229 1.00 0.00 O ATOM 1415 CB MET A 93 15.812 -4.973 1.149 1.00 0.00 C ATOM 1416 CG MET A 93 16.850 -4.269 0.282 1.00 0.00 C ATOM 1417 SD MET A 93 17.173 -5.052 -1.309 1.00 0.00 S ATOM 1418 CE MET A 93 18.419 -3.950 -1.976 1.00 0.00 C ATOM 0 H MET A 93 17.396 -5.845 3.501 1.00 0.00 H new ATOM 0 HA MET A 93 15.506 -6.402 2.613 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.935 -5.171 0.533 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.502 -4.283 1.933 1.00 0.00 H new ATOM 0 HG2 MET A 93 16.520 -3.245 0.106 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.786 -4.211 0.838 1.00 0.00 H new ATOM 0 HE1 MET A 93 18.724 -4.300 -2.962 1.00 0.00 H new ATOM 0 HE2 MET A 93 18.008 -2.944 -2.059 1.00 0.00 H new ATOM 0 HE3 MET A 93 19.284 -3.935 -1.313 1.00 0.00 H new ATOM 1428 N GLU A 94 15.815 -8.645 1.684 1.00 0.00 N ATOM 1429 CA GLU A 94 15.734 -9.910 1.019 1.00 0.00 C ATOM 1430 C GLU A 94 14.595 -10.810 1.524 1.00 0.00 C ATOM 1431 O GLU A 94 14.514 -11.972 1.133 1.00 0.00 O ATOM 1432 CB GLU A 94 17.129 -10.555 1.055 1.00 0.00 C ATOM 1433 CG GLU A 94 17.758 -10.687 2.434 1.00 0.00 C ATOM 1434 CD GLU A 94 17.198 -11.803 3.264 1.00 0.00 C ATOM 1435 OE1 GLU A 94 17.446 -12.992 2.942 1.00 0.00 O ATOM 1436 OE2 GLU A 94 16.538 -11.509 4.263 1.00 0.00 O ATOM 0 H GLU A 94 15.739 -8.686 2.700 1.00 0.00 H new ATOM 0 HA GLU A 94 15.450 -9.755 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.062 -11.548 0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.797 -9.968 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.831 -10.840 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.626 -9.748 2.972 1.00 0.00 H new ATOM 1443 N THR A 95 13.668 -10.223 2.313 1.00 0.00 N ATOM 1444 CA THR A 95 12.484 -10.956 2.815 1.00 0.00 C ATOM 1445 C THR A 95 11.619 -10.174 3.846 1.00 0.00 C ATOM 1446 O THR A 95 10.468 -9.869 3.563 1.00 0.00 O ATOM 1447 CB THR A 95 12.777 -12.410 3.330 1.00 0.00 C ATOM 1448 OG1 THR A 95 11.560 -13.089 3.670 1.00 0.00 O ATOM 1449 CG2 THR A 95 13.703 -12.445 4.531 1.00 0.00 C ATOM 0 H THR A 95 13.716 -9.250 2.615 1.00 0.00 H new ATOM 0 HA THR A 95 11.885 -11.055 1.910 1.00 0.00 H new ATOM 0 HB THR A 95 13.277 -12.916 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.767 -13.993 3.986 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.864 -13.479 4.836 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.658 -11.991 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.253 -11.890 5.354 1.00 0.00 H new ATOM 1457 N SER A 96 12.183 -9.773 4.980 1.00 0.00 N ATOM 1458 CA SER A 96 11.406 -9.274 6.127 1.00 0.00 C ATOM 1459 C SER A 96 10.506 -8.079 5.771 1.00 0.00 C ATOM 1460 O SER A 96 9.367 -8.001 6.198 1.00 0.00 O ATOM 1461 CB SER A 96 12.383 -8.887 7.212 1.00 0.00 C ATOM 1462 OG SER A 96 13.501 -9.776 7.201 1.00 0.00 O ATOM 0 H SER A 96 13.191 -9.782 5.138 1.00 0.00 H new ATOM 0 HA SER A 96 10.734 -10.065 6.460 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.721 -7.862 7.060 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.891 -8.919 8.184 1.00 0.00 H new ATOM 0 HG SER A 96 14.131 -9.518 7.906 1.00 0.00 H new ATOM 1468 N GLU A 97 11.033 -7.223 4.927 1.00 0.00 N ATOM 1469 CA GLU A 97 10.328 -5.999 4.528 1.00 0.00 C ATOM 1470 C GLU A 97 9.234 -6.298 3.493 1.00 0.00 C ATOM 1471 O GLU A 97 8.148 -5.756 3.538 1.00 0.00 O ATOM 1472 CB GLU A 97 11.348 -5.029 3.953 1.00 0.00 C ATOM 1473 CG GLU A 97 10.796 -3.726 3.409 1.00 0.00 C ATOM 1474 CD GLU A 97 10.291 -2.800 4.493 1.00 0.00 C ATOM 1475 OE1 GLU A 97 9.160 -2.953 4.962 1.00 0.00 O ATOM 1476 OE2 GLU A 97 11.054 -1.906 4.905 1.00 0.00 O ATOM 0 H GLU A 97 11.950 -7.341 4.495 1.00 0.00 H new ATOM 0 HA GLU A 97 9.839 -5.563 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.076 -4.795 4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.888 -5.534 3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.574 -3.218 2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.983 -3.943 2.716 1.00 0.00 H new ATOM 1483 N MET A 98 9.550 -7.124 2.528 1.00 0.00 N ATOM 1484 CA MET A 98 8.595 -7.491 1.478 1.00 0.00 C ATOM 1485 C MET A 98 7.364 -8.238 2.069 1.00 0.00 C ATOM 1486 O MET A 98 6.242 -7.940 1.729 1.00 0.00 O ATOM 1487 CB MET A 98 9.316 -8.255 0.339 1.00 0.00 C ATOM 1488 CG MET A 98 9.944 -9.572 0.729 1.00 0.00 C ATOM 1489 SD MET A 98 11.097 -10.221 -0.497 1.00 0.00 S ATOM 1490 CE MET A 98 12.270 -8.874 -0.685 1.00 0.00 C ATOM 0 H MET A 98 10.465 -7.565 2.436 1.00 0.00 H new ATOM 0 HA MET A 98 8.187 -6.587 1.026 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.599 -8.438 -0.461 1.00 0.00 H new ATOM 0 HB3 MET A 98 10.093 -7.610 -0.071 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.468 -9.447 1.677 1.00 0.00 H new ATOM 0 HG3 MET A 98 9.155 -10.305 0.895 1.00 0.00 H new ATOM 0 HE1 MET A 98 13.225 -9.269 -1.032 1.00 0.00 H new ATOM 0 HE2 MET A 98 11.888 -8.158 -1.412 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.410 -8.377 0.275 1.00 0.00 H new ATOM 1500 N LEU A 99 7.605 -9.217 2.944 1.00 0.00 N ATOM 1501 CA LEU A 99 6.481 -9.871 3.685 1.00 0.00 C ATOM 1502 C LEU A 99 5.730 -8.838 4.544 1.00 0.00 C ATOM 1503 O LEU A 99 4.498 -8.926 4.785 1.00 0.00 O ATOM 1504 CB LEU A 99 7.017 -10.957 4.638 1.00 0.00 C ATOM 1505 CG LEU A 99 7.447 -12.307 4.053 1.00 0.00 C ATOM 1506 CD1 LEU A 99 8.511 -12.160 2.989 1.00 0.00 C ATOM 1507 CD2 LEU A 99 7.934 -13.218 5.166 1.00 0.00 C ATOM 0 H LEU A 99 8.533 -9.578 3.165 1.00 0.00 H new ATOM 0 HA LEU A 99 5.815 -10.311 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.874 -10.539 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.246 -11.151 5.384 1.00 0.00 H new ATOM 0 HG LEU A 99 6.575 -12.750 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.781 -13.144 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.128 -11.546 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.392 -11.683 3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.238 -14.176 4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.784 -12.756 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.130 -13.377 5.885 1.00 0.00 H new ATOM 1519 N ALA A 100 6.528 -7.890 5.013 1.00 0.00 N ATOM 1520 CA ALA A 100 6.035 -6.835 5.876 1.00 0.00 C ATOM 1521 C ALA A 100 4.889 -6.094 5.260 1.00 0.00 C ATOM 1522 O ALA A 100 3.946 -5.772 5.970 1.00 0.00 O ATOM 1523 CB ALA A 100 7.119 -5.864 6.332 1.00 0.00 C ATOM 0 H ALA A 100 7.525 -7.833 4.807 1.00 0.00 H new ATOM 0 HA ALA A 100 5.675 -7.345 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.678 -5.102 6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.884 -6.407 6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.571 -5.388 5.462 1.00 0.00 H new ATOM 1529 N LEU A 101 4.899 -5.933 3.935 1.00 0.00 N ATOM 1530 CA LEU A 101 3.919 -5.191 3.172 1.00 0.00 C ATOM 1531 C LEU A 101 2.527 -5.629 3.482 1.00 0.00 C ATOM 1532 O LEU A 101 1.673 -4.807 3.753 1.00 0.00 O ATOM 1533 CB LEU A 101 4.149 -5.428 1.724 1.00 0.00 C ATOM 1534 CG LEU A 101 5.511 -4.982 1.173 1.00 0.00 C ATOM 1535 CD1 LEU A 101 5.692 -5.429 -0.261 1.00 0.00 C ATOM 1536 CD2 LEU A 101 5.697 -3.478 1.284 1.00 0.00 C ATOM 0 H LEU A 101 5.627 -6.338 3.347 1.00 0.00 H new ATOM 0 HA LEU A 101 4.029 -4.138 3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.032 -6.494 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.368 -4.914 1.164 1.00 0.00 H new ATOM 0 HG LEU A 101 6.276 -5.461 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.665 -5.099 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.634 -6.516 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.907 -4.994 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.672 -3.202 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.916 -2.972 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.637 -3.180 2.331 1.00 0.00 H new ATOM 1548 N LEU A 102 2.298 -6.917 3.482 1.00 0.00 N ATOM 1549 CA LEU A 102 1.005 -7.456 3.752 1.00 0.00 C ATOM 1550 C LEU A 102 0.544 -7.119 5.161 1.00 0.00 C ATOM 1551 O LEU A 102 -0.558 -6.611 5.352 1.00 0.00 O ATOM 1552 CB LEU A 102 1.006 -8.953 3.532 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.262 -9.664 3.967 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.432 -9.330 3.040 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -0.040 -11.158 4.074 1.00 0.00 C ATOM 0 H LEU A 102 3.013 -7.619 3.293 1.00 0.00 H new ATOM 0 HA LEU A 102 0.298 -7.000 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.170 -9.150 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.850 -9.384 4.071 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.525 -9.302 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.325 -9.855 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.614 -8.255 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.191 -9.642 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.965 -11.642 4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.264 -11.551 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.741 -11.358 4.808 1.00 0.00 H new ATOM 1567 N HIS A 103 1.375 -7.371 6.159 1.00 0.00 N ATOM 1568 CA HIS A 103 0.905 -7.071 7.504 1.00 0.00 C ATOM 1569 C HIS A 103 0.770 -5.560 7.732 1.00 0.00 C ATOM 1570 O HIS A 103 0.006 -5.131 8.573 1.00 0.00 O ATOM 1571 CB HIS A 103 1.683 -7.771 8.632 1.00 0.00 C ATOM 1572 CG HIS A 103 3.131 -7.427 8.751 1.00 0.00 C ATOM 1573 ND1 HIS A 103 3.544 -6.151 9.035 1.00 0.00 N ATOM 1574 CD2 HIS A 103 4.209 -8.228 8.634 1.00 0.00 C ATOM 1575 CE1 HIS A 103 4.855 -6.201 9.077 1.00 0.00 C ATOM 1576 NE2 HIS A 103 5.306 -7.439 8.854 1.00 0.00 N ATOM 0 H HIS A 103 2.316 -7.756 6.079 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.092 -7.507 7.561 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.197 -7.536 9.579 1.00 0.00 H new ATOM 0 HB3 HIS A 103 1.598 -8.848 8.488 1.00 0.00 H new ATOM 0 HD2 HIS A 103 4.208 -9.285 8.411 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.490 -5.348 9.268 1.00 0.00 H new ATOM 0 HE2 HIS A 103 6.281 -7.739 8.849 1.00 0.00 H new ATOM 1584 N ILE A 104 1.494 -4.772 6.946 1.00 0.00 N ATOM 1585 CA ILE A 104 1.382 -3.302 7.064 1.00 0.00 C ATOM 1586 C ILE A 104 0.180 -2.780 6.283 1.00 0.00 C ATOM 1587 O ILE A 104 -0.525 -1.894 6.735 1.00 0.00 O ATOM 1588 CB ILE A 104 2.721 -2.498 6.790 1.00 0.00 C ATOM 1589 CG1 ILE A 104 2.550 -0.964 6.761 1.00 0.00 C ATOM 1590 CG2 ILE A 104 3.427 -2.934 5.533 1.00 0.00 C ATOM 1591 CD1 ILE A 104 2.162 -0.417 5.387 1.00 0.00 C ATOM 0 H ILE A 104 2.149 -5.101 6.237 1.00 0.00 H new ATOM 0 HA ILE A 104 1.199 -3.102 8.120 1.00 0.00 H new ATOM 0 HB ILE A 104 3.338 -2.748 7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.787 -0.678 7.485 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.482 -0.497 7.079 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.335 -2.345 5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.687 -3.990 5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.771 -2.783 4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.059 0.667 5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.935 -0.672 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.214 -0.856 5.075 1.00 0.00 H new ATOM 1603 N THR A 105 -0.110 -3.429 5.190 1.00 0.00 N ATOM 1604 CA THR A 105 -1.251 -3.039 4.377 1.00 0.00 C ATOM 1605 C THR A 105 -2.539 -3.473 5.094 1.00 0.00 C ATOM 1606 O THR A 105 -3.605 -2.907 4.941 1.00 0.00 O ATOM 1607 CB THR A 105 -1.148 -3.613 2.927 1.00 0.00 C ATOM 1608 OG1 THR A 105 -1.997 -2.887 2.029 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.548 -5.073 2.876 1.00 0.00 C ATOM 0 H THR A 105 0.418 -4.226 4.835 1.00 0.00 H new ATOM 0 HA THR A 105 -1.266 -1.955 4.261 1.00 0.00 H new ATOM 0 HB THR A 105 -0.106 -3.511 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.887 -1.925 2.180 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.464 -5.438 1.852 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.890 -5.653 3.523 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.578 -5.180 3.216 1.00 0.00 H new ATOM 1617 N ARG A 106 -2.403 -4.478 5.906 1.00 0.00 N ATOM 1618 CA ARG A 106 -3.546 -4.909 6.673 1.00 0.00 C ATOM 1619 C ARG A 106 -3.671 -4.095 7.942 1.00 0.00 C ATOM 1620 O ARG A 106 -4.728 -3.596 8.276 1.00 0.00 O ATOM 1621 CB ARG A 106 -3.455 -6.379 6.990 1.00 0.00 C ATOM 1622 CG ARG A 106 -3.561 -7.267 5.773 1.00 0.00 C ATOM 1623 CD ARG A 106 -3.451 -8.732 6.149 1.00 0.00 C ATOM 1624 NE ARG A 106 -4.559 -9.157 7.006 1.00 0.00 N ATOM 1625 CZ ARG A 106 -4.983 -10.411 7.181 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -4.392 -11.431 6.552 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -6.006 -10.639 7.997 1.00 0.00 N ATOM 0 H ARG A 106 -1.543 -5.005 6.057 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.441 -4.748 6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.508 -6.576 7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.248 -6.641 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.512 -7.088 5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.774 -7.011 5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.437 -9.340 5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.506 -8.905 6.664 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.054 -8.426 7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.605 -11.258 5.927 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.728 -12.383 6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -6.456 -9.862 8.480 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.341 -11.592 8.141 1.00 0.00 H new ATOM 1641 N ASP A 107 -2.578 -3.921 8.616 1.00 0.00 N ATOM 1642 CA ASP A 107 -2.572 -3.208 9.886 1.00 0.00 C ATOM 1643 C ASP A 107 -2.872 -1.719 9.711 1.00 0.00 C ATOM 1644 O ASP A 107 -3.892 -1.192 10.201 1.00 0.00 O ATOM 1645 CB ASP A 107 -1.211 -3.397 10.565 1.00 0.00 C ATOM 1646 CG ASP A 107 -1.072 -2.671 11.874 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -0.637 -1.515 11.873 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -1.377 -3.263 12.930 1.00 0.00 O ATOM 0 H ASP A 107 -1.664 -4.260 8.318 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.363 -3.623 10.511 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.045 -4.461 10.733 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.428 -3.055 9.887 1.00 0.00 H new ATOM 1653 N ALA A 108 -2.056 -1.088 8.904 1.00 0.00 N ATOM 1654 CA ALA A 108 -2.021 0.354 8.779 1.00 0.00 C ATOM 1655 C ALA A 108 -3.059 0.881 7.811 1.00 0.00 C ATOM 1656 O ALA A 108 -3.209 2.077 7.678 1.00 0.00 O ATOM 1657 CB ALA A 108 -0.641 0.744 8.295 1.00 0.00 C ATOM 0 H ALA A 108 -1.385 -1.567 8.304 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.246 0.789 9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.585 1.828 8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.105 0.409 9.015 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -0.449 0.276 7.329 1.00 0.00 H new ATOM 1663 N TYR A 109 -3.676 -0.009 7.076 1.00 0.00 N ATOM 1664 CA TYR A 109 -4.699 0.454 6.129 1.00 0.00 C ATOM 1665 C TYR A 109 -6.078 0.111 6.667 1.00 0.00 C ATOM 1666 O TYR A 109 -6.891 0.968 6.901 1.00 0.00 O ATOM 1667 CB TYR A 109 -4.552 -0.177 4.737 1.00 0.00 C ATOM 1668 CG TYR A 109 -3.279 0.118 3.962 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -2.040 0.144 4.580 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -3.324 0.334 2.596 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -0.889 0.380 3.873 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -2.171 0.566 1.874 1.00 0.00 C ATOM 1673 CZ TYR A 109 -0.956 0.590 2.517 1.00 0.00 C ATOM 1674 OH TYR A 109 0.195 0.811 1.803 1.00 0.00 O ATOM 0 H TYR A 109 -3.511 -1.015 7.098 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.568 1.531 6.025 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -4.635 -1.258 4.848 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -5.398 0.147 4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.979 -0.026 5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -4.276 0.321 2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 109 0.065 0.401 4.379 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -2.223 0.728 0.808 1.00 0.00 H new ATOM 0 HH TYR A 109 0.380 0.036 1.232 1.00 0.00 H new ATOM 1684 N ARG A 110 -6.271 -1.169 6.893 1.00 0.00 N ATOM 1685 CA ARG A 110 -7.589 -1.704 7.329 1.00 0.00 C ATOM 1686 C ARG A 110 -8.147 -1.025 8.611 1.00 0.00 C ATOM 1687 O ARG A 110 -9.279 -1.247 8.987 1.00 0.00 O ATOM 1688 CB ARG A 110 -7.548 -3.231 7.470 1.00 0.00 C ATOM 1689 CG ARG A 110 -6.965 -3.938 6.246 1.00 0.00 C ATOM 1690 CD ARG A 110 -7.861 -3.902 5.027 1.00 0.00 C ATOM 1691 NE ARG A 110 -8.937 -4.889 5.101 1.00 0.00 N ATOM 1692 CZ ARG A 110 -9.576 -5.381 4.048 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -9.406 -4.841 2.859 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -10.437 -6.381 4.188 1.00 0.00 N ATOM 0 H ARG A 110 -5.546 -1.878 6.788 1.00 0.00 H new ATOM 0 HA ARG A 110 -8.293 -1.451 6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.956 -3.492 8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -8.559 -3.600 7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.009 -3.478 5.995 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.761 -4.977 6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.291 -2.906 4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.264 -4.085 4.134 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.215 -5.222 6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.782 -4.042 2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.899 -5.221 2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.612 -6.778 5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.924 -6.753 3.372 1.00 0.00 H new ATOM 1708 N SER A 111 -7.334 -0.217 9.279 1.00 0.00 N ATOM 1709 CA SER A 111 -7.833 0.561 10.408 1.00 0.00 C ATOM 1710 C SER A 111 -8.745 1.759 9.935 1.00 0.00 C ATOM 1711 O SER A 111 -9.523 2.293 10.726 1.00 0.00 O ATOM 1712 CB SER A 111 -6.646 1.045 11.270 1.00 0.00 C ATOM 1713 OG SER A 111 -7.062 1.628 12.500 1.00 0.00 O ATOM 0 H SER A 111 -6.346 -0.083 9.066 1.00 0.00 H new ATOM 0 HA SER A 111 -8.466 -0.080 11.021 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.985 0.203 11.477 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.066 1.774 10.705 1.00 0.00 H new ATOM 0 HG SER A 111 -6.275 1.916 13.008 1.00 0.00 H new ATOM 1719 N TRP A 112 -8.695 2.131 8.635 1.00 0.00 N ATOM 1720 CA TRP A 112 -9.467 3.285 8.072 1.00 0.00 C ATOM 1721 C TRP A 112 -9.915 2.935 6.667 1.00 0.00 C ATOM 1722 O TRP A 112 -10.978 3.334 6.197 1.00 0.00 O ATOM 1723 CB TRP A 112 -8.611 4.579 8.034 1.00 0.00 C ATOM 1724 CG TRP A 112 -7.220 4.318 8.508 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -6.245 3.703 7.796 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -6.660 4.607 9.796 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -5.141 3.560 8.556 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -5.347 4.115 9.778 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -7.129 5.225 10.958 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -4.491 4.209 10.862 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -6.276 5.326 12.042 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -4.969 4.820 11.988 1.00 0.00 C ATOM 0 H TRP A 112 -8.124 1.648 7.942 1.00 0.00 H new ATOM 0 HA TRP A 112 -10.328 3.472 8.714 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -8.584 4.971 7.017 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -9.074 5.343 8.658 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -6.339 3.376 6.771 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -4.279 3.103 8.258 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -8.135 5.615 11.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -3.486 3.816 10.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -6.623 5.803 12.947 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -4.328 4.915 12.852 1.00 0.00 H new ATOM 1743 N THR A 113 -9.090 2.142 6.026 1.00 0.00 N ATOM 1744 CA THR A 113 -9.354 1.642 4.698 1.00 0.00 C ATOM 1745 C THR A 113 -10.316 0.431 4.730 1.00 0.00 C ATOM 1746 O THR A 113 -10.500 -0.250 3.721 1.00 0.00 O ATOM 1747 CB THR A 113 -8.019 1.275 4.026 1.00 0.00 C ATOM 1748 OG1 THR A 113 -7.027 2.225 4.442 1.00 0.00 O ATOM 1749 CG2 THR A 113 -8.123 1.417 2.538 1.00 0.00 C ATOM 0 H THR A 113 -8.204 1.822 6.418 1.00 0.00 H new ATOM 0 HA THR A 113 -9.848 2.420 4.117 1.00 0.00 H new ATOM 0 HB THR A 113 -7.766 0.251 4.300 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.467 3.048 4.740 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.170 1.153 2.080 1.00 0.00 H new ATOM 0 HG22 THR A 113 -8.902 0.753 2.163 1.00 0.00 H new ATOM 0 HG23 THR A 113 -8.373 2.448 2.287 1.00 0.00 H new ATOM 1757 N ASN A 114 -10.955 0.231 5.897 1.00 0.00 N ATOM 1758 CA ASN A 114 -12.002 -0.777 6.141 1.00 0.00 C ATOM 1759 C ASN A 114 -11.428 -2.145 6.392 1.00 0.00 C ATOM 1760 O ASN A 114 -11.036 -2.812 5.436 1.00 0.00 O ATOM 1761 CB ASN A 114 -13.089 -0.834 5.048 1.00 0.00 C ATOM 1762 CG ASN A 114 -13.753 0.503 4.806 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -14.708 0.882 5.487 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -13.259 1.230 3.827 1.00 0.00 N ATOM 1765 OXT ASN A 114 -11.416 -2.585 7.558 1.00 0.00 O ATOM 0 H ASN A 114 -10.748 0.788 6.726 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.500 -0.440 7.050 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.643 -1.186 4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -13.847 -1.563 5.334 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -13.667 2.139 3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -12.468 0.884 3.284 1.00 0.00 H new