USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1052 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 9 MET CE :methyl -177:sc= -0.233 (180deg=-0.277) USER MOD Set 1.2: A 131 MET CE :methyl 136:sc= -0.581 (180deg=-1.61) USER MOD Set 2.1: A 108 GLN : amide:sc= 1.36 X(o=1.3,f=1) USER MOD Set 2.2: A 110 HIS : no HD1:sc= -0.0599 K(o=1.3,f=-5.2!) USER MOD Set 3.1: A 54 SER OG : rot 104:sc= 0.882 USER MOD Set 3.2: A 105 HIS : no HE2:sc= 0.209 K(o=1.1,f=-5.2!) USER MOD Set 4.1: A 40 TYR OH : rot -51:sc= 0.792 USER MOD Set 4.2: A 89 MET CE :methyl 165:sc= -0.0261 (180deg=-0.316) USER MOD Set 5.1: A 82 HIS : no HE2:sc= -0.188 K(o=0.4,f=-4.6) USER MOD Set 5.2: A 88 SER OG : rot 155:sc= 0.587 USER MOD Set 6.1: A 73 CYS SG : rot 180:sc= 0 USER MOD Set 6.2: A 91 HIS : no HE2:sc= 0.835 K(o=1.8,f=-4.3!) USER MOD Set 6.3: A 115 HIS : no HD1:sc= -0.312 K(o=1.8,f=-0.3) USER MOD Set 6.4: A 116 THR OG1 : rot 85:sc= 1.3 USER MOD Set 7.1: A 69 TYR OH : rot -32:sc= 1.21 USER MOD Set 7.2: A 99 CYS SG : rot -21:sc= 0.754 USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 0.934 (180deg=0.927) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 165:sc= -0.269 USER MOD Single : A 11 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0624 K(o=-0.062,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0153 USER MOD Single : A 30 ASN : amide:sc=-0.00149 X(o=-0.0015,f=-0.011) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.56 K(o=1.6,f=-6.6!) USER MOD Single : A 41 ASN : amide:sc= -0.66 K(o=-0.66,f=-3.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0497 USER MOD Single : A 46 HIS : no HD1:sc=-0.00861 X(o=-0.0086,f=-0.024) USER MOD Single : A 55 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.75) USER MOD Single : A 58 CYS SG : rot 142:sc= -0.635 USER MOD Single : A 62 ASN : amide:sc= -0.0199 K(o=-0.02,f=-1.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.87 K(o=0.87,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1.3!) USER MOD Single : A 80 HIS : no HE2:sc= 0.79 K(o=0.79,f=-3.8!) USER MOD Single : A 84 THR OG1 : rot -70:sc= 0.696 USER MOD Single : A 87 MET CE :methyl 141:sc= -0.007 (180deg=-1.96) USER MOD Single : A 96 THR OG1 : rot 68:sc= 0.527 USER MOD Single : A 98 SER OG : rot -63:sc= 0.858 USER MOD Single : A 100 GLN : amide:sc= 2.46 K(o=2.5,f=-3.5!) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl 164:sc= -0.272 (180deg=-0.539) USER MOD Single : A 130 THR OG1 : rot -75:sc= 1.17 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.796 K(o=-0.8,f=-5.8!) USER MOD Single : A 137 MET CE :methyl -178:sc= 0 (180deg=-0.0125) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -6.724 1.729 -11.703 1.00 0.00 N ATOM 19 CA ALA A 2 -6.031 1.064 -10.606 1.00 0.00 C ATOM 20 C ALA A 2 -4.521 1.229 -10.728 1.00 0.00 C ATOM 21 O ALA A 2 -3.995 1.429 -11.822 1.00 0.00 O ATOM 22 CB ALA A 2 -6.400 -0.411 -10.562 1.00 0.00 C ATOM 0 HA ALA A 2 -6.347 1.534 -9.675 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.874 -0.893 -9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.475 -0.513 -10.416 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.115 -0.886 -11.501 1.00 0.00 H new ATOM 28 N LYS A 3 -3.828 1.141 -9.597 1.00 0.00 N ATOM 29 CA LYS A 3 -2.379 1.299 -9.572 1.00 0.00 C ATOM 30 C LYS A 3 -1.713 0.159 -8.813 1.00 0.00 C ATOM 31 O LYS A 3 -2.389 -0.683 -8.222 1.00 0.00 O ATOM 32 CB LYS A 3 -1.999 2.642 -8.945 1.00 0.00 C ATOM 33 CG LYS A 3 -2.554 3.857 -9.675 1.00 0.00 C ATOM 34 CD LYS A 3 -2.164 5.150 -8.973 1.00 0.00 C ATOM 35 CE LYS A 3 -2.704 6.366 -9.710 1.00 0.00 C ATOM 36 NZ LYS A 3 -2.348 7.638 -9.024 1.00 0.00 N ATOM 0 H LYS A 3 -4.248 0.961 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.023 1.275 -10.602 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.352 2.660 -7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.912 2.719 -8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.181 3.870 -10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.640 3.785 -9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.547 5.142 -7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.078 5.216 -8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.309 6.379 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.788 6.289 -9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.691 8.443 -9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.789 7.660 -8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.315 7.701 -8.924 1.00 0.00 H new ATOM 50 N LYS A 4 -0.385 0.139 -8.833 1.00 0.00 N ATOM 51 CA LYS A 4 0.378 -0.827 -8.051 1.00 0.00 C ATOM 52 C LYS A 4 1.597 -0.178 -7.411 1.00 0.00 C ATOM 53 O LYS A 4 2.001 0.921 -7.794 1.00 0.00 O ATOM 54 CB LYS A 4 0.808 -2.005 -8.927 1.00 0.00 C ATOM 55 CG LYS A 4 -0.335 -2.902 -9.381 1.00 0.00 C ATOM 56 CD LYS A 4 0.177 -4.078 -10.199 1.00 0.00 C ATOM 57 CE LYS A 4 -0.962 -4.993 -10.626 1.00 0.00 C ATOM 58 NZ LYS A 4 -0.462 -6.240 -11.267 1.00 0.00 N ATOM 0 H LYS A 4 0.186 0.781 -9.383 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.268 -1.196 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.322 -1.619 -9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.529 -2.608 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.879 -3.271 -8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.041 -2.322 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.700 -3.709 -11.081 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.901 -4.644 -9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.567 -5.249 -9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.612 -4.463 -11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.268 -6.836 -11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.094 -5.997 -12.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.138 -6.759 -10.595 1.00 0.00 H new ATOM 72 N GLY A 5 2.181 -0.861 -6.432 1.00 0.00 N ATOM 73 CA GLY A 5 3.391 -0.379 -5.777 1.00 0.00 C ATOM 74 C GLY A 5 4.255 -1.538 -5.294 1.00 0.00 C ATOM 75 O GLY A 5 3.791 -2.675 -5.204 1.00 0.00 O ATOM 0 H GLY A 5 1.835 -1.751 -6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.961 0.239 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.122 0.255 -4.932 1.00 0.00 H new ATOM 79 N TYR A 6 5.512 -1.243 -4.985 1.00 0.00 N ATOM 80 CA TYR A 6 6.458 -2.269 -4.559 1.00 0.00 C ATOM 81 C TYR A 6 7.390 -1.743 -3.475 1.00 0.00 C ATOM 82 O TYR A 6 7.998 -0.683 -3.625 1.00 0.00 O ATOM 83 CB TYR A 6 7.268 -2.779 -5.753 1.00 0.00 C ATOM 84 CG TYR A 6 8.347 -3.770 -5.379 1.00 0.00 C ATOM 85 CD1 TYR A 6 8.005 -5.067 -5.025 1.00 0.00 C ATOM 86 CD2 TYR A 6 9.679 -3.383 -5.390 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.991 -5.972 -4.684 1.00 0.00 C ATOM 88 CE2 TYR A 6 10.665 -4.288 -5.048 1.00 0.00 C ATOM 89 CZ TYR A 6 10.325 -5.578 -4.697 1.00 0.00 C ATOM 90 OH TYR A 6 11.306 -6.480 -4.357 1.00 0.00 O ATOM 0 H TYR A 6 5.901 -0.301 -5.021 1.00 0.00 H new ATOM 0 HA TYR A 6 5.887 -3.098 -4.141 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.590 -3.246 -6.467 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.727 -1.929 -6.258 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.968 -5.369 -5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.945 -2.373 -5.666 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.727 -6.982 -4.408 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.702 -3.986 -5.055 1.00 0.00 H new ATOM 0 HH TYR A 6 12.179 -6.136 -4.641 1.00 0.00 H new ATOM 100 N ILE A 7 7.497 -2.489 -2.381 1.00 0.00 N ATOM 101 CA ILE A 7 8.449 -2.168 -1.324 1.00 0.00 C ATOM 102 C ILE A 7 9.525 -3.240 -1.208 1.00 0.00 C ATOM 103 O ILE A 7 9.237 -4.388 -0.872 1.00 0.00 O ATOM 104 CB ILE A 7 7.734 -2.008 0.029 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.785 -0.806 -0.007 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.749 -1.856 1.153 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.813 -0.761 1.150 1.00 0.00 C ATOM 0 H ILE A 7 6.935 -3.322 -2.203 1.00 0.00 H new ATOM 0 HA ILE A 7 8.923 -1.223 -1.590 1.00 0.00 H new ATOM 0 HB ILE A 7 7.145 -2.906 0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.375 0.111 -0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.223 -0.826 -0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.226 -1.744 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.385 -2.740 1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.364 -0.975 0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.175 0.118 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.196 -1.660 1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.366 -0.708 2.088 1.00 0.00 H new ATOM 119 N LEU A 8 10.767 -2.858 -1.486 1.00 0.00 N ATOM 120 CA LEU A 8 11.916 -3.694 -1.164 1.00 0.00 C ATOM 121 C LEU A 8 12.459 -3.374 0.223 1.00 0.00 C ATOM 122 O LEU A 8 12.802 -2.230 0.518 1.00 0.00 O ATOM 123 CB LEU A 8 13.023 -3.501 -2.209 1.00 0.00 C ATOM 124 CG LEU A 8 14.323 -4.272 -1.951 1.00 0.00 C ATOM 125 CD1 LEU A 8 14.054 -5.768 -2.047 1.00 0.00 C ATOM 126 CD2 LEU A 8 15.377 -3.842 -2.959 1.00 0.00 C ATOM 0 H LEU A 8 11.003 -1.973 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 8 11.586 -4.733 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.634 -3.798 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.258 -2.438 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 8 14.694 -4.052 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.978 -6.316 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.310 -6.052 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.682 -6.008 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.301 -4.390 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.023 -4.054 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.563 -2.773 -2.857 1.00 0.00 H new ATOM 138 N MET A 9 12.534 -4.393 1.073 1.00 0.00 N ATOM 139 CA MET A 9 13.004 -4.216 2.442 1.00 0.00 C ATOM 140 C MET A 9 14.513 -4.405 2.535 1.00 0.00 C ATOM 141 O MET A 9 15.118 -5.067 1.692 1.00 0.00 O ATOM 142 CB MET A 9 12.287 -5.189 3.376 1.00 0.00 C ATOM 143 CG MET A 9 10.768 -5.085 3.348 1.00 0.00 C ATOM 144 SD MET A 9 10.174 -3.454 3.837 1.00 0.00 S ATOM 145 CE MET A 9 10.608 -3.442 5.574 1.00 0.00 C ATOM 0 H MET A 9 12.275 -5.351 0.837 1.00 0.00 H new ATOM 0 HA MET A 9 12.774 -3.196 2.750 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.574 -6.206 3.111 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.632 -5.016 4.395 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.411 -5.311 2.343 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.344 -5.837 4.014 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.256 -2.517 6.031 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.142 -4.292 6.071 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.691 -3.509 5.679 1.00 0.00 H new ATOM 155 N GLU A 10 15.115 -3.819 3.565 1.00 0.00 N ATOM 156 CA GLU A 10 16.550 -3.948 3.787 1.00 0.00 C ATOM 157 C GLU A 10 16.949 -5.405 3.983 1.00 0.00 C ATOM 158 O GLU A 10 18.090 -5.786 3.724 1.00 0.00 O ATOM 159 CB GLU A 10 16.977 -3.123 5.003 1.00 0.00 C ATOM 160 CG GLU A 10 16.974 -1.618 4.776 1.00 0.00 C ATOM 161 CD GLU A 10 18.093 -1.160 3.882 1.00 0.00 C ATOM 162 OE1 GLU A 10 18.945 -1.957 3.572 1.00 0.00 O ATOM 163 OE2 GLU A 10 18.094 -0.011 3.507 1.00 0.00 O ATOM 0 H GLU A 10 14.631 -3.250 4.259 1.00 0.00 H new ATOM 0 HA GLU A 10 17.060 -3.570 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.311 -3.354 5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 10 17.979 -3.431 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.021 -1.324 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.052 -1.110 5.737 1.00 0.00 H new ATOM 170 N ASN A 11 16.002 -6.216 4.443 1.00 0.00 N ATOM 171 CA ASN A 11 16.260 -7.627 4.698 1.00 0.00 C ATOM 172 C ASN A 11 16.038 -8.464 3.445 1.00 0.00 C ATOM 173 O ASN A 11 16.119 -9.691 3.484 1.00 0.00 O ATOM 174 CB ASN A 11 15.392 -8.131 5.837 1.00 0.00 C ATOM 175 CG ASN A 11 15.807 -7.573 7.171 1.00 0.00 C ATOM 176 OD1 ASN A 11 16.977 -7.227 7.376 1.00 0.00 O ATOM 177 ND2 ASN A 11 14.872 -7.479 8.082 1.00 0.00 N ATOM 0 H ASN A 11 15.048 -5.919 4.647 1.00 0.00 H new ATOM 0 HA ASN A 11 17.306 -7.729 4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.353 -7.864 5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.440 -9.219 5.872 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.095 -7.108 9.006 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.920 -7.777 7.868 1.00 0.00 H new ATOM 184 N GLY A 12 15.757 -7.792 2.334 1.00 0.00 N ATOM 185 CA GLY A 12 15.584 -8.467 1.053 1.00 0.00 C ATOM 186 C GLY A 12 14.129 -8.857 0.828 1.00 0.00 C ATOM 187 O GLY A 12 13.807 -9.565 -0.126 1.00 0.00 O ATOM 0 H GLY A 12 15.644 -6.779 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.917 -7.813 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.211 -9.358 1.021 1.00 0.00 H new ATOM 191 N GLY A 13 13.253 -8.392 1.712 1.00 0.00 N ATOM 192 CA GLY A 13 11.829 -8.684 1.606 1.00 0.00 C ATOM 193 C GLY A 13 11.230 -8.059 0.352 1.00 0.00 C ATOM 194 O GLY A 13 11.512 -6.906 0.026 1.00 0.00 O ATOM 0 H GLY A 13 13.505 -7.810 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.677 -9.763 1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.311 -8.306 2.487 1.00 0.00 H new ATOM 198 N LYS A 14 10.404 -8.828 -0.349 1.00 0.00 N ATOM 199 CA LYS A 14 9.813 -8.374 -1.602 1.00 0.00 C ATOM 200 C LYS A 14 8.302 -8.227 -1.480 1.00 0.00 C ATOM 201 O LYS A 14 7.560 -9.199 -1.623 1.00 0.00 O ATOM 202 CB LYS A 14 10.157 -9.341 -2.736 1.00 0.00 C ATOM 203 CG LYS A 14 11.645 -9.450 -3.041 1.00 0.00 C ATOM 204 CD LYS A 14 11.898 -10.338 -4.250 1.00 0.00 C ATOM 205 CE LYS A 14 13.385 -10.453 -4.552 1.00 0.00 C ATOM 206 NZ LYS A 14 13.643 -11.227 -5.798 1.00 0.00 N ATOM 0 H LYS A 14 10.128 -9.770 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 14 10.232 -7.394 -1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.778 -10.330 -2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.636 -9.023 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.054 -8.457 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.167 -9.855 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.484 -11.330 -4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.379 -9.931 -5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.813 -9.455 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.889 -10.936 -3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.668 -11.281 -5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.257 -12.187 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.184 -10.753 -6.602 1.00 0.00 H new ATOM 220 N ILE A 15 7.851 -7.006 -1.213 1.00 0.00 N ATOM 221 CA ILE A 15 6.435 -6.746 -0.984 1.00 0.00 C ATOM 222 C ILE A 15 5.798 -6.069 -2.192 1.00 0.00 C ATOM 223 O ILE A 15 6.121 -4.927 -2.518 1.00 0.00 O ATOM 224 CB ILE A 15 6.232 -5.867 0.262 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.821 -6.550 1.499 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.755 -5.568 0.468 1.00 0.00 C ATOM 227 CD1 ILE A 15 6.941 -5.640 2.700 1.00 0.00 C ATOM 0 H ILE A 15 8.446 -6.180 -1.150 1.00 0.00 H new ATOM 0 HA ILE A 15 5.950 -7.709 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 15 6.755 -4.923 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.197 -7.404 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.808 -6.941 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.630 -4.945 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.365 -5.042 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.210 -6.502 0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.366 -6.195 3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.590 -4.799 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.954 -5.269 2.975 1.00 0.00 H new ATOM 239 N GLU A 16 4.892 -6.782 -2.853 1.00 0.00 N ATOM 240 CA GLU A 16 4.164 -6.231 -3.990 1.00 0.00 C ATOM 241 C GLU A 16 2.674 -6.129 -3.694 1.00 0.00 C ATOM 242 O GLU A 16 2.053 -7.091 -3.242 1.00 0.00 O ATOM 243 CB GLU A 16 4.389 -7.092 -5.235 1.00 0.00 C ATOM 244 CG GLU A 16 3.793 -6.519 -6.513 1.00 0.00 C ATOM 245 CD GLU A 16 4.061 -7.375 -7.719 1.00 0.00 C ATOM 246 OE1 GLU A 16 3.639 -8.506 -7.728 1.00 0.00 O ATOM 247 OE2 GLU A 16 4.689 -6.897 -8.634 1.00 0.00 O ATOM 0 H GLU A 16 4.644 -7.744 -2.620 1.00 0.00 H new ATOM 0 HA GLU A 16 4.546 -5.227 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.461 -7.229 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.962 -8.080 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.716 -6.405 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.201 -5.523 -6.683 1.00 0.00 H new ATOM 254 N PHE A 17 2.103 -4.957 -3.952 1.00 0.00 N ATOM 255 CA PHE A 17 0.729 -4.670 -3.558 1.00 0.00 C ATOM 256 C PHE A 17 0.006 -3.864 -4.630 1.00 0.00 C ATOM 257 O PHE A 17 0.638 -3.217 -5.465 1.00 0.00 O ATOM 258 CB PHE A 17 0.701 -3.907 -2.233 1.00 0.00 C ATOM 259 CG PHE A 17 1.470 -2.617 -2.259 1.00 0.00 C ATOM 260 CD1 PHE A 17 0.872 -1.445 -2.696 1.00 0.00 C ATOM 261 CD2 PHE A 17 2.794 -2.573 -1.848 1.00 0.00 C ATOM 262 CE1 PHE A 17 1.579 -0.258 -2.722 1.00 0.00 C ATOM 263 CE2 PHE A 17 3.502 -1.388 -1.871 1.00 0.00 C ATOM 264 CZ PHE A 17 2.894 -0.229 -2.309 1.00 0.00 C ATOM 0 H PHE A 17 2.572 -4.189 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 17 0.214 -5.623 -3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.335 -3.696 -1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.107 -4.545 -1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.158 -1.460 -3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.277 -3.476 -1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.101 0.647 -3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.532 -1.368 -1.546 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.447 0.698 -2.328 1.00 0.00 H new ATOM 274 N GLU A 18 -1.322 -3.907 -4.599 1.00 0.00 N ATOM 275 CA GLU A 18 -2.136 -3.085 -5.488 1.00 0.00 C ATOM 276 C GLU A 18 -2.675 -1.859 -4.762 1.00 0.00 C ATOM 277 O GLU A 18 -2.760 -1.840 -3.535 1.00 0.00 O ATOM 278 CB GLU A 18 -3.295 -3.903 -6.059 1.00 0.00 C ATOM 279 CG GLU A 18 -2.868 -5.060 -6.951 1.00 0.00 C ATOM 280 CD GLU A 18 -4.033 -5.845 -7.489 1.00 0.00 C ATOM 281 OE1 GLU A 18 -5.149 -5.518 -7.159 1.00 0.00 O ATOM 282 OE2 GLU A 18 -3.808 -6.772 -8.228 1.00 0.00 O ATOM 0 H GLU A 18 -1.858 -4.503 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.500 -2.748 -6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.888 -4.296 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.945 -3.240 -6.630 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.282 -4.673 -7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.217 -5.727 -6.386 1.00 0.00 H new ATOM 289 N LEU A 19 -3.038 -0.836 -5.529 1.00 0.00 N ATOM 290 CA LEU A 19 -3.626 0.373 -4.966 1.00 0.00 C ATOM 291 C LEU A 19 -4.961 0.695 -5.625 1.00 0.00 C ATOM 292 O LEU A 19 -5.119 0.545 -6.836 1.00 0.00 O ATOM 293 CB LEU A 19 -2.666 1.558 -5.136 1.00 0.00 C ATOM 294 CG LEU A 19 -1.349 1.464 -4.355 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.419 2.588 -4.790 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.637 1.538 -2.863 1.00 0.00 C ATOM 0 H LEU A 19 -2.935 -0.821 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.800 0.197 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.432 1.663 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.183 2.468 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.859 0.513 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.517 2.521 -4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.215 2.499 -5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.892 3.549 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.701 1.471 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.128 2.484 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.288 0.712 -2.577 1.00 0.00 H new ATOM 308 N PHE A 20 -5.921 1.138 -4.820 1.00 0.00 N ATOM 309 CA PHE A 20 -7.301 1.264 -5.270 1.00 0.00 C ATOM 310 C PHE A 20 -7.802 2.695 -5.122 1.00 0.00 C ATOM 311 O PHE A 20 -8.487 3.026 -4.155 1.00 0.00 O ATOM 312 CB PHE A 20 -8.209 0.317 -4.482 1.00 0.00 C ATOM 313 CG PHE A 20 -7.794 -1.124 -4.560 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.167 -1.912 -5.637 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.027 -1.695 -3.554 1.00 0.00 C ATOM 316 CE1 PHE A 20 -7.787 -3.239 -5.710 1.00 0.00 C ATOM 317 CE2 PHE A 20 -6.644 -3.021 -3.625 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.023 -3.793 -4.702 1.00 0.00 C ATOM 0 H PHE A 20 -5.767 1.416 -3.851 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.330 0.996 -6.326 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.221 0.626 -3.437 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.229 0.413 -4.855 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.762 -1.484 -6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.726 -1.097 -2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.087 -3.842 -6.554 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.047 -3.453 -2.835 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.723 -4.829 -4.757 1.00 0.00 H new ATOM 328 N PRO A 21 -7.453 3.541 -6.086 1.00 0.00 N ATOM 329 CA PRO A 21 -7.891 4.932 -6.079 1.00 0.00 C ATOM 330 C PRO A 21 -9.375 5.043 -6.407 1.00 0.00 C ATOM 331 O PRO A 21 -9.960 6.123 -6.323 1.00 0.00 O ATOM 332 CB PRO A 21 -7.024 5.571 -7.168 1.00 0.00 C ATOM 333 CG PRO A 21 -6.747 4.455 -8.118 1.00 0.00 C ATOM 334 CD PRO A 21 -6.573 3.248 -7.236 1.00 0.00 C ATOM 0 HA PRO A 21 -7.779 5.415 -5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.544 6.393 -7.660 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.102 5.980 -6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.569 4.318 -8.821 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.851 4.648 -8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.868 2.331 -7.746 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.535 3.121 -6.927 1.00 0.00 H new ATOM 342 N ASN A 22 -9.980 3.920 -6.779 1.00 0.00 N ATOM 343 CA ASN A 22 -11.419 3.866 -7.009 1.00 0.00 C ATOM 344 C ASN A 22 -12.192 4.042 -5.709 1.00 0.00 C ATOM 345 O ASN A 22 -13.309 4.561 -5.706 1.00 0.00 O ATOM 346 CB ASN A 22 -11.801 2.561 -7.685 1.00 0.00 C ATOM 347 CG ASN A 22 -11.390 2.517 -9.131 1.00 0.00 C ATOM 348 OD1 ASN A 22 -11.182 3.560 -9.762 1.00 0.00 O ATOM 349 ND2 ASN A 22 -11.268 1.330 -9.667 1.00 0.00 N ATOM 0 H ASN A 22 -9.496 3.035 -6.928 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.685 4.691 -7.670 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.336 1.731 -7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.880 2.421 -7.613 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.991 1.238 -10.644 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.450 0.497 -9.108 1.00 0.00 H new ATOM 356 N GLU A 23 -11.592 3.609 -4.606 1.00 0.00 N ATOM 357 CA GLU A 23 -12.234 3.699 -3.300 1.00 0.00 C ATOM 358 C GLU A 23 -11.531 4.717 -2.410 1.00 0.00 C ATOM 359 O GLU A 23 -12.142 5.304 -1.518 1.00 0.00 O ATOM 360 CB GLU A 23 -12.244 2.331 -2.615 1.00 0.00 C ATOM 361 CG GLU A 23 -10.863 1.745 -2.356 1.00 0.00 C ATOM 362 CD GLU A 23 -10.914 0.374 -1.743 1.00 0.00 C ATOM 363 OE1 GLU A 23 -11.460 -0.511 -2.357 1.00 0.00 O ATOM 364 OE2 GLU A 23 -10.405 0.211 -0.659 1.00 0.00 O ATOM 0 H GLU A 23 -10.661 3.192 -4.590 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.261 4.029 -3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.772 2.418 -1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.811 1.634 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.312 1.697 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.309 2.412 -1.696 1.00 0.00 H new ATOM 371 N ALA A 24 -10.241 4.921 -2.658 1.00 0.00 N ATOM 372 CA ALA A 24 -9.476 5.939 -1.948 1.00 0.00 C ATOM 373 C ALA A 24 -8.620 6.755 -2.907 1.00 0.00 C ATOM 374 O ALA A 24 -7.398 6.609 -2.942 1.00 0.00 O ATOM 375 CB ALA A 24 -8.605 5.296 -0.878 1.00 0.00 C ATOM 0 H ALA A 24 -9.703 4.394 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.182 6.617 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.040 6.068 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.236 4.765 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.914 4.594 -1.345 1.00 0.00 H new ATOM 381 N PRO A 25 -9.270 7.614 -3.685 1.00 0.00 N ATOM 382 CA PRO A 25 -8.583 8.383 -4.717 1.00 0.00 C ATOM 383 C PRO A 25 -7.633 9.403 -4.102 1.00 0.00 C ATOM 384 O PRO A 25 -6.666 9.825 -4.737 1.00 0.00 O ATOM 385 CB PRO A 25 -9.735 9.063 -5.464 1.00 0.00 C ATOM 386 CG PRO A 25 -10.849 9.085 -4.475 1.00 0.00 C ATOM 387 CD PRO A 25 -10.713 7.786 -3.727 1.00 0.00 C ATOM 0 HA PRO A 25 -7.958 7.771 -5.368 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.464 10.070 -5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.010 8.509 -6.361 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.767 9.940 -3.804 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.818 9.159 -4.969 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.147 7.842 -2.729 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.208 6.963 -4.244 1.00 0.00 H new ATOM 395 N VAL A 26 -7.913 9.794 -2.864 1.00 0.00 N ATOM 396 CA VAL A 26 -7.102 10.791 -2.174 1.00 0.00 C ATOM 397 C VAL A 26 -5.905 10.146 -1.487 1.00 0.00 C ATOM 398 O VAL A 26 -4.773 10.611 -1.629 1.00 0.00 O ATOM 399 CB VAL A 26 -7.951 11.537 -1.126 1.00 0.00 C ATOM 400 CG1 VAL A 26 -7.094 12.530 -0.357 1.00 0.00 C ATOM 401 CG2 VAL A 26 -9.114 12.242 -1.809 1.00 0.00 C ATOM 0 H VAL A 26 -8.696 9.436 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.738 11.497 -2.920 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.351 10.815 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.709 13.048 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.290 11.999 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.668 13.256 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.710 12.767 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.730 12.958 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.737 11.507 -2.319 1.00 0.00 H new ATOM 411 N THR A 27 -6.160 9.076 -0.744 1.00 0.00 N ATOM 412 CA THR A 27 -5.114 8.403 0.015 1.00 0.00 C ATOM 413 C THR A 27 -4.072 7.786 -0.909 1.00 0.00 C ATOM 414 O THR A 27 -2.870 7.895 -0.667 1.00 0.00 O ATOM 415 CB THR A 27 -5.705 7.313 0.929 1.00 0.00 C ATOM 416 OG1 THR A 27 -6.646 7.904 1.835 1.00 0.00 O ATOM 417 CG2 THR A 27 -4.604 6.627 1.723 1.00 0.00 C ATOM 0 H THR A 27 -7.084 8.655 -0.651 1.00 0.00 H new ATOM 0 HA THR A 27 -4.630 9.158 0.635 1.00 0.00 H new ATOM 0 HB THR A 27 -6.206 6.571 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.023 7.209 2.415 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.041 5.860 2.363 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.894 6.166 1.037 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.087 7.363 2.339 1.00 0.00 H new ATOM 425 N VAL A 28 -4.541 7.137 -1.971 1.00 0.00 N ATOM 426 CA VAL A 28 -3.650 6.516 -2.944 1.00 0.00 C ATOM 427 C VAL A 28 -2.809 7.560 -3.665 1.00 0.00 C ATOM 428 O VAL A 28 -1.623 7.347 -3.921 1.00 0.00 O ATOM 429 CB VAL A 28 -4.463 5.714 -3.976 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.573 5.271 -5.128 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.113 4.513 -3.304 1.00 0.00 C ATOM 0 H VAL A 28 -5.534 7.028 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.983 5.845 -2.402 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.247 6.353 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.164 4.705 -5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.147 6.147 -5.617 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.769 4.642 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.687 3.950 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.341 3.872 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.778 4.855 -2.511 1.00 0.00 H new ATOM 441 N ALA A 29 -3.427 8.690 -3.991 1.00 0.00 N ATOM 442 CA ALA A 29 -2.732 9.777 -4.670 1.00 0.00 C ATOM 443 C ALA A 29 -1.562 10.288 -3.839 1.00 0.00 C ATOM 444 O ALA A 29 -0.443 10.415 -4.336 1.00 0.00 O ATOM 445 CB ALA A 29 -3.697 10.911 -4.979 1.00 0.00 C ATOM 0 H ALA A 29 -4.410 8.877 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.334 9.388 -5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.163 11.715 -5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.496 10.544 -5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.124 11.288 -4.050 1.00 0.00 H new ATOM 451 N ASN A 30 -1.828 10.578 -2.570 1.00 0.00 N ATOM 452 CA ASN A 30 -0.795 11.064 -1.663 1.00 0.00 C ATOM 453 C ASN A 30 0.239 9.983 -1.377 1.00 0.00 C ATOM 454 O ASN A 30 1.432 10.266 -1.258 1.00 0.00 O ATOM 455 CB ASN A 30 -1.411 11.568 -0.371 1.00 0.00 C ATOM 456 CG ASN A 30 -2.032 12.929 -0.520 1.00 0.00 C ATOM 457 OD1 ASN A 30 -1.334 13.919 -0.772 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.330 12.999 -0.369 1.00 0.00 N ATOM 0 H ASN A 30 -2.751 10.485 -2.146 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.286 11.895 -2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.170 10.861 -0.034 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.644 11.605 0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.806 13.897 -0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.866 12.156 -0.162 1.00 0.00 H new ATOM 465 N PHE A 31 -0.223 8.742 -1.267 1.00 0.00 N ATOM 466 CA PHE A 31 0.668 7.608 -1.058 1.00 0.00 C ATOM 467 C PHE A 31 1.711 7.516 -2.164 1.00 0.00 C ATOM 468 O PHE A 31 2.911 7.450 -1.896 1.00 0.00 O ATOM 469 CB PHE A 31 -0.132 6.305 -0.996 1.00 0.00 C ATOM 470 CG PHE A 31 0.719 5.080 -0.811 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.104 4.672 0.458 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.136 4.336 -1.902 1.00 0.00 C ATOM 473 CE1 PHE A 31 1.886 3.545 0.630 1.00 0.00 C ATOM 474 CE2 PHE A 31 1.917 3.208 -1.734 1.00 0.00 C ATOM 475 CZ PHE A 31 2.292 2.814 -0.465 1.00 0.00 C ATOM 0 H PHE A 31 -1.212 8.496 -1.319 1.00 0.00 H new ATOM 0 HA PHE A 31 1.182 7.761 -0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.847 6.367 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.709 6.200 -1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.789 5.241 1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.847 4.641 -2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.179 3.237 1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.233 2.636 -2.594 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.903 1.934 -0.331 1.00 0.00 H new ATOM 485 N GLU A 32 1.247 7.515 -3.410 1.00 0.00 N ATOM 486 CA GLU A 32 2.142 7.450 -4.559 1.00 0.00 C ATOM 487 C GLU A 32 3.089 8.643 -4.589 1.00 0.00 C ATOM 488 O GLU A 32 4.298 8.483 -4.755 1.00 0.00 O ATOM 489 CB GLU A 32 1.335 7.394 -5.859 1.00 0.00 C ATOM 490 CG GLU A 32 2.181 7.416 -7.125 1.00 0.00 C ATOM 491 CD GLU A 32 1.367 7.231 -8.375 1.00 0.00 C ATOM 492 OE1 GLU A 32 0.498 8.033 -8.620 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.614 6.286 -9.087 1.00 0.00 O ATOM 0 H GLU A 32 0.256 7.558 -3.649 1.00 0.00 H new ATOM 0 HA GLU A 32 2.738 6.542 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.729 6.488 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.646 8.239 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.716 8.364 -7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.933 6.629 -7.067 1.00 0.00 H new ATOM 500 N LYS A 33 2.532 9.838 -4.428 1.00 0.00 N ATOM 501 CA LYS A 33 3.319 11.064 -4.477 1.00 0.00 C ATOM 502 C LYS A 33 4.472 11.018 -3.481 1.00 0.00 C ATOM 503 O LYS A 33 5.620 11.291 -3.832 1.00 0.00 O ATOM 504 CB LYS A 33 2.435 12.281 -4.201 1.00 0.00 C ATOM 505 CG LYS A 33 3.167 13.616 -4.257 1.00 0.00 C ATOM 506 CD LYS A 33 2.210 14.779 -4.042 1.00 0.00 C ATOM 507 CE LYS A 33 2.947 16.110 -4.050 1.00 0.00 C ATOM 508 NZ LYS A 33 2.022 17.259 -3.851 1.00 0.00 N ATOM 0 H LYS A 33 1.536 9.984 -4.262 1.00 0.00 H new ATOM 0 HA LYS A 33 3.737 11.151 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.621 12.296 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.982 12.170 -3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.947 13.638 -3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.661 13.722 -5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.450 14.777 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.690 14.654 -3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.702 16.111 -3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.473 16.228 -4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.564 18.147 -3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.317 17.273 -4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.538 17.161 -2.936 1.00 0.00 H new ATOM 522 N LEU A 34 4.159 10.671 -2.237 1.00 0.00 N ATOM 523 CA LEU A 34 5.156 10.656 -1.173 1.00 0.00 C ATOM 524 C LEU A 34 6.182 9.553 -1.395 1.00 0.00 C ATOM 525 O LEU A 34 7.383 9.767 -1.231 1.00 0.00 O ATOM 526 CB LEU A 34 4.474 10.464 0.188 1.00 0.00 C ATOM 527 CG LEU A 34 3.607 11.633 0.669 1.00 0.00 C ATOM 528 CD1 LEU A 34 2.827 11.213 1.907 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.492 12.835 0.963 1.00 0.00 C ATOM 0 H LEU A 34 3.222 10.396 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 34 5.675 11.614 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.852 9.571 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.244 10.275 0.936 1.00 0.00 H new ATOM 0 HG LEU A 34 2.895 11.912 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.211 12.045 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.188 10.364 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.523 10.929 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.875 13.666 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.213 12.575 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.023 13.126 0.057 1.00 0.00 H new ATOM 541 N ALA A 35 5.701 8.370 -1.767 1.00 0.00 N ATOM 542 CA ALA A 35 6.576 7.227 -1.999 1.00 0.00 C ATOM 543 C ALA A 35 7.602 7.530 -3.082 1.00 0.00 C ATOM 544 O ALA A 35 8.781 7.204 -2.943 1.00 0.00 O ATOM 545 CB ALA A 35 5.756 6.002 -2.374 1.00 0.00 C ATOM 0 H ALA A 35 4.710 8.179 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 35 7.115 7.021 -1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.422 5.156 -2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.067 5.764 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.190 6.207 -3.283 1.00 0.00 H new ATOM 551 N ASN A 36 7.148 8.155 -4.164 1.00 0.00 N ATOM 552 CA ASN A 36 8.013 8.443 -5.302 1.00 0.00 C ATOM 553 C ASN A 36 8.821 9.715 -5.071 1.00 0.00 C ATOM 554 O ASN A 36 9.619 10.116 -5.918 1.00 0.00 O ATOM 555 CB ASN A 36 7.197 8.553 -6.577 1.00 0.00 C ATOM 556 CG ASN A 36 6.685 7.222 -7.052 1.00 0.00 C ATOM 557 OD1 ASN A 36 7.235 6.172 -6.702 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.644 7.246 -7.844 1.00 0.00 N ATOM 0 H ASN A 36 6.185 8.472 -4.276 1.00 0.00 H new ATOM 0 HA ASN A 36 8.714 7.615 -5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.354 9.223 -6.408 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.810 9.002 -7.359 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.253 6.373 -8.199 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.223 8.137 -8.106 1.00 0.00 H new ATOM 565 N GLU A 37 8.610 10.343 -3.920 1.00 0.00 N ATOM 566 CA GLU A 37 9.414 11.489 -3.515 1.00 0.00 C ATOM 567 C GLU A 37 10.447 11.094 -2.466 1.00 0.00 C ATOM 568 O GLU A 37 11.276 11.908 -2.059 1.00 0.00 O ATOM 569 CB GLU A 37 8.520 12.603 -2.968 1.00 0.00 C ATOM 570 CG GLU A 37 7.849 13.453 -4.039 1.00 0.00 C ATOM 571 CD GLU A 37 7.024 14.572 -3.466 1.00 0.00 C ATOM 572 OE1 GLU A 37 6.196 14.305 -2.629 1.00 0.00 O ATOM 573 OE2 GLU A 37 7.223 15.694 -3.867 1.00 0.00 O ATOM 0 H GLU A 37 7.888 10.077 -3.250 1.00 0.00 H new ATOM 0 HA GLU A 37 9.941 11.853 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.749 12.158 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.118 13.252 -2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.612 13.871 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.212 12.817 -4.654 1.00 0.00 H new ATOM 580 N GLY A 38 10.391 9.839 -2.030 1.00 0.00 N ATOM 581 CA GLY A 38 11.401 9.294 -1.132 1.00 0.00 C ATOM 582 C GLY A 38 11.009 9.500 0.325 1.00 0.00 C ATOM 583 O GLY A 38 11.846 9.403 1.224 1.00 0.00 O ATOM 0 H GLY A 38 9.655 9.180 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.531 8.230 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.360 9.774 -1.325 1.00 0.00 H new ATOM 587 N PHE A 39 9.732 9.786 0.556 1.00 0.00 N ATOM 588 CA PHE A 39 9.214 9.946 1.909 1.00 0.00 C ATOM 589 C PHE A 39 8.944 8.594 2.558 1.00 0.00 C ATOM 590 O PHE A 39 9.132 8.425 3.763 1.00 0.00 O ATOM 591 CB PHE A 39 7.928 10.775 1.895 1.00 0.00 C ATOM 592 CG PHE A 39 8.161 12.250 1.723 1.00 0.00 C ATOM 593 CD1 PHE A 39 8.572 13.031 2.791 1.00 0.00 C ATOM 594 CD2 PHE A 39 7.968 12.858 0.491 1.00 0.00 C ATOM 595 CE1 PHE A 39 8.785 14.387 2.635 1.00 0.00 C ATOM 596 CE2 PHE A 39 8.182 14.214 0.332 1.00 0.00 C ATOM 597 CZ PHE A 39 8.590 14.979 1.404 1.00 0.00 C ATOM 0 H PHE A 39 9.036 9.912 -0.179 1.00 0.00 H new ATOM 0 HA PHE A 39 9.972 10.467 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.287 10.421 1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.388 10.608 2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.728 12.574 3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.647 12.265 -0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.104 14.984 3.477 1.00 0.00 H new ATOM 0 HE2 PHE A 39 8.030 14.675 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.757 16.039 1.281 1.00 0.00 H new ATOM 607 N TYR A 40 8.505 7.634 1.752 1.00 0.00 N ATOM 608 CA TYR A 40 8.246 6.284 2.239 1.00 0.00 C ATOM 609 C TYR A 40 9.438 5.370 1.989 1.00 0.00 C ATOM 610 O TYR A 40 9.485 4.244 2.488 1.00 0.00 O ATOM 611 CB TYR A 40 6.989 5.710 1.582 1.00 0.00 C ATOM 612 CG TYR A 40 5.712 6.410 1.991 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.701 7.239 3.104 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.552 6.224 1.254 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.535 7.879 3.477 1.00 0.00 C ATOM 616 CE2 TYR A 40 3.386 6.863 1.628 1.00 0.00 C ATOM 617 CZ TYR A 40 3.375 7.687 2.734 1.00 0.00 C ATOM 618 OH TYR A 40 2.214 8.324 3.106 1.00 0.00 O ATOM 0 H TYR A 40 8.321 7.766 0.757 1.00 0.00 H new ATOM 0 HA TYR A 40 8.085 6.342 3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.096 5.772 0.499 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.909 4.653 1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.604 7.384 3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.560 5.579 0.387 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.524 8.526 4.342 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.483 6.717 1.054 1.00 0.00 H new ATOM 0 HH TYR A 40 2.040 8.159 4.056 1.00 0.00 H new ATOM 628 N ASN A 41 10.399 5.858 1.214 1.00 0.00 N ATOM 629 CA ASN A 41 11.596 5.086 0.897 1.00 0.00 C ATOM 630 C ASN A 41 12.579 5.092 2.060 1.00 0.00 C ATOM 631 O ASN A 41 13.553 5.844 2.058 1.00 0.00 O ATOM 632 CB ASN A 41 12.255 5.615 -0.363 1.00 0.00 C ATOM 633 CG ASN A 41 13.377 4.736 -0.840 1.00 0.00 C ATOM 634 OD1 ASN A 41 13.921 3.932 -0.075 1.00 0.00 O ATOM 635 ND2 ASN A 41 13.735 4.873 -2.092 1.00 0.00 N ATOM 0 H ASN A 41 10.373 6.786 0.792 1.00 0.00 H new ATOM 0 HA ASN A 41 11.292 4.054 0.721 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.507 5.703 -1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.639 6.618 -0.175 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.491 4.303 -2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.258 5.550 -2.688 1.00 0.00 H new ATOM 642 N GLY A 42 12.318 4.250 3.054 1.00 0.00 N ATOM 643 CA GLY A 42 13.236 4.077 4.173 1.00 0.00 C ATOM 644 C GLY A 42 12.516 4.236 5.506 1.00 0.00 C ATOM 645 O GLY A 42 13.110 4.661 6.497 1.00 0.00 O ATOM 0 H GLY A 42 11.477 3.676 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.696 3.090 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.042 4.808 4.102 1.00 0.00 H new ATOM 649 N LEU A 43 11.233 3.891 5.525 1.00 0.00 N ATOM 650 CA LEU A 43 10.455 3.901 6.758 1.00 0.00 C ATOM 651 C LEU A 43 10.884 2.773 7.688 1.00 0.00 C ATOM 652 O LEU A 43 11.395 1.747 7.242 1.00 0.00 O ATOM 653 CB LEU A 43 8.960 3.770 6.442 1.00 0.00 C ATOM 654 CG LEU A 43 8.339 4.937 5.664 1.00 0.00 C ATOM 655 CD1 LEU A 43 6.863 4.656 5.416 1.00 0.00 C ATOM 656 CD2 LEU A 43 8.526 6.226 6.449 1.00 0.00 C ATOM 0 H LEU A 43 10.709 3.601 4.699 1.00 0.00 H new ATOM 0 HA LEU A 43 10.637 4.851 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.807 2.854 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.418 3.654 7.381 1.00 0.00 H new ATOM 0 HG LEU A 43 8.834 5.047 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.423 5.486 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.760 3.738 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.349 4.542 6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.085 7.056 5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.037 6.135 7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.590 6.412 6.595 1.00 0.00 H new ATOM 668 N THR A 44 10.674 2.972 8.985 1.00 0.00 N ATOM 669 CA THR A 44 11.015 1.962 9.980 1.00 0.00 C ATOM 670 C THR A 44 9.775 1.481 10.724 1.00 0.00 C ATOM 671 O THR A 44 9.084 2.268 11.372 1.00 0.00 O ATOM 672 CB THR A 44 12.045 2.503 10.988 1.00 0.00 C ATOM 673 OG1 THR A 44 13.235 2.900 10.292 1.00 0.00 O ATOM 674 CG2 THR A 44 12.396 1.437 12.015 1.00 0.00 C ATOM 0 H THR A 44 10.269 3.824 9.372 1.00 0.00 H new ATOM 0 HA THR A 44 11.453 1.118 9.447 1.00 0.00 H new ATOM 0 HB THR A 44 11.612 3.361 11.502 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.890 3.246 10.934 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.125 1.837 12.720 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.496 1.140 12.554 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.819 0.569 11.509 1.00 0.00 H new ATOM 682 N PHE A 45 9.499 0.186 10.627 1.00 0.00 N ATOM 683 CA PHE A 45 8.335 -0.401 11.281 1.00 0.00 C ATOM 684 C PHE A 45 8.538 -0.494 12.787 1.00 0.00 C ATOM 685 O PHE A 45 9.221 -1.394 13.277 1.00 0.00 O ATOM 686 CB PHE A 45 8.046 -1.791 10.713 1.00 0.00 C ATOM 687 CG PHE A 45 7.450 -1.770 9.334 1.00 0.00 C ATOM 688 CD1 PHE A 45 8.259 -1.635 8.216 1.00 0.00 C ATOM 689 CD2 PHE A 45 6.081 -1.887 9.152 1.00 0.00 C ATOM 690 CE1 PHE A 45 7.712 -1.615 6.946 1.00 0.00 C ATOM 691 CE2 PHE A 45 5.531 -1.870 7.885 1.00 0.00 C ATOM 692 CZ PHE A 45 6.348 -1.733 6.781 1.00 0.00 C ATOM 0 H PHE A 45 10.066 -0.479 10.101 1.00 0.00 H new ATOM 0 HA PHE A 45 7.483 0.250 11.087 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.973 -2.364 10.689 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.365 -2.314 11.385 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.328 -1.544 8.338 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.436 -1.993 10.012 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.353 -1.507 6.084 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.463 -1.964 7.758 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.920 -1.718 5.790 1.00 0.00 H new ATOM 702 N HIS A 46 7.942 0.441 13.520 1.00 0.00 N ATOM 703 CA HIS A 46 8.148 0.533 14.960 1.00 0.00 C ATOM 704 C HIS A 46 7.133 -0.313 15.717 1.00 0.00 C ATOM 705 O HIS A 46 7.284 -0.560 16.913 1.00 0.00 O ATOM 706 CB HIS A 46 8.056 1.990 15.428 1.00 0.00 C ATOM 707 CG HIS A 46 9.147 2.863 14.889 1.00 0.00 C ATOM 708 ND1 HIS A 46 10.462 2.738 15.285 1.00 0.00 N ATOM 709 CD2 HIS A 46 9.118 3.873 13.990 1.00 0.00 C ATOM 710 CE1 HIS A 46 11.196 3.636 14.648 1.00 0.00 C ATOM 711 NE2 HIS A 46 10.403 4.336 13.857 1.00 0.00 N ATOM 0 H HIS A 46 7.312 1.147 13.139 1.00 0.00 H new ATOM 0 HA HIS A 46 9.146 0.151 15.173 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.092 2.400 15.126 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.086 2.016 16.517 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.246 4.246 13.473 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.262 3.773 14.756 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.698 5.098 13.246 1.00 0.00 H new ATOM 718 N ARG A 47 6.097 -0.757 15.012 1.00 0.00 N ATOM 719 CA ARG A 47 5.037 -1.549 15.626 1.00 0.00 C ATOM 720 C ARG A 47 4.667 -2.742 14.753 1.00 0.00 C ATOM 721 O ARG A 47 3.752 -2.664 13.933 1.00 0.00 O ATOM 722 CB ARG A 47 3.800 -0.695 15.863 1.00 0.00 C ATOM 723 CG ARG A 47 3.987 0.439 16.858 1.00 0.00 C ATOM 724 CD ARG A 47 4.192 -0.071 18.239 1.00 0.00 C ATOM 725 NE ARG A 47 4.290 1.010 19.206 1.00 0.00 N ATOM 726 CZ ARG A 47 5.434 1.637 19.540 1.00 0.00 C ATOM 727 NH1 ARG A 47 6.567 1.280 18.978 1.00 0.00 N ATOM 728 NH2 ARG A 47 5.417 2.611 20.434 1.00 0.00 N ATOM 0 H ARG A 47 5.969 -0.582 14.015 1.00 0.00 H new ATOM 0 HA ARG A 47 5.412 -1.915 16.582 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.479 -0.274 14.910 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.994 -1.339 16.215 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.844 1.045 16.563 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.113 1.090 16.836 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.365 -0.727 18.510 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.100 -0.672 18.273 1.00 0.00 H new ATOM 0 HE ARG A 47 3.431 1.315 19.664 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.580 0.528 18.289 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.434 1.755 19.231 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.538 2.887 20.871 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.283 3.086 20.687 1.00 0.00 H new ATOM 742 N VAL A 48 5.384 -3.846 14.934 1.00 0.00 N ATOM 743 CA VAL A 48 5.056 -5.093 14.253 1.00 0.00 C ATOM 744 C VAL A 48 4.486 -6.117 15.225 1.00 0.00 C ATOM 745 O VAL A 48 5.196 -6.627 16.092 1.00 0.00 O ATOM 746 CB VAL A 48 6.308 -5.676 13.573 1.00 0.00 C ATOM 747 CG1 VAL A 48 5.986 -7.007 12.913 1.00 0.00 C ATOM 748 CG2 VAL A 48 6.853 -4.687 12.553 1.00 0.00 C ATOM 0 H VAL A 48 6.197 -3.902 15.547 1.00 0.00 H new ATOM 0 HA VAL A 48 4.301 -4.870 13.499 1.00 0.00 H new ATOM 0 HB VAL A 48 7.071 -5.851 14.331 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.883 -7.404 12.438 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.633 -7.711 13.667 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.211 -6.862 12.161 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.739 -5.107 12.076 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.094 -4.489 11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.118 -3.756 13.054 1.00 0.00 H new ATOM 758 N ILE A 49 3.200 -6.417 15.076 1.00 0.00 N ATOM 759 CA ILE A 49 2.532 -7.381 15.941 1.00 0.00 C ATOM 760 C ILE A 49 1.945 -8.531 15.133 1.00 0.00 C ATOM 761 O ILE A 49 0.928 -8.373 14.458 1.00 0.00 O ATOM 762 CB ILE A 49 1.417 -6.706 16.759 1.00 0.00 C ATOM 763 CG1 ILE A 49 1.987 -5.555 17.592 1.00 0.00 C ATOM 764 CG2 ILE A 49 0.723 -7.722 17.653 1.00 0.00 C ATOM 765 CD1 ILE A 49 0.933 -4.708 18.267 1.00 0.00 C ATOM 0 H ILE A 49 2.599 -6.005 14.362 1.00 0.00 H new ATOM 0 HA ILE A 49 3.283 -7.779 16.624 1.00 0.00 H new ATOM 0 HB ILE A 49 0.680 -6.298 16.068 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.652 -5.964 18.352 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.593 -4.918 16.948 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.063 -7.227 18.224 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.285 -8.508 17.038 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.449 -8.160 18.338 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.415 -3.914 18.838 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.281 -4.268 17.512 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.342 -5.330 18.939 1.00 0.00 H new ATOM 777 N PRO A 50 2.592 -9.690 15.206 1.00 0.00 N ATOM 778 CA PRO A 50 2.097 -10.887 14.537 1.00 0.00 C ATOM 779 C PRO A 50 0.651 -11.176 14.922 1.00 0.00 C ATOM 780 O PRO A 50 0.312 -11.226 16.105 1.00 0.00 O ATOM 781 CB PRO A 50 3.044 -11.981 15.041 1.00 0.00 C ATOM 782 CG PRO A 50 4.310 -11.254 15.345 1.00 0.00 C ATOM 783 CD PRO A 50 3.858 -9.940 15.923 1.00 0.00 C ATOM 0 HA PRO A 50 2.088 -10.801 13.450 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.646 -12.476 15.927 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.199 -12.753 14.287 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.926 -11.808 16.053 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.910 -11.108 14.447 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.708 -10.002 17.001 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.586 -9.148 15.747 1.00 0.00 H new ATOM 791 N GLY A 51 -0.197 -11.366 13.917 1.00 0.00 N ATOM 792 CA GLY A 51 -1.608 -11.650 14.149 1.00 0.00 C ATOM 793 C GLY A 51 -2.453 -10.390 14.011 1.00 0.00 C ATOM 794 O GLY A 51 -3.655 -10.462 13.755 1.00 0.00 O ATOM 0 H GLY A 51 0.069 -11.328 12.933 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.952 -12.402 13.438 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.738 -12.071 15.146 1.00 0.00 H new ATOM 798 N PHE A 52 -1.818 -9.236 14.181 1.00 0.00 N ATOM 799 CA PHE A 52 -2.504 -7.956 14.043 1.00 0.00 C ATOM 800 C PHE A 52 -2.066 -7.232 12.776 1.00 0.00 C ATOM 801 O PHE A 52 -2.504 -7.565 11.675 1.00 0.00 O ATOM 802 CB PHE A 52 -2.235 -7.072 15.261 1.00 0.00 C ATOM 803 CG PHE A 52 -2.992 -7.488 16.490 1.00 0.00 C ATOM 804 CD1 PHE A 52 -4.015 -8.421 16.410 1.00 0.00 C ATOM 805 CD2 PHE A 52 -2.683 -6.947 17.730 1.00 0.00 C ATOM 806 CE1 PHE A 52 -4.711 -8.805 17.541 1.00 0.00 C ATOM 807 CE2 PHE A 52 -3.377 -7.328 18.861 1.00 0.00 C ATOM 808 CZ PHE A 52 -4.392 -8.259 18.766 1.00 0.00 C ATOM 0 H PHE A 52 -0.828 -9.160 14.415 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.573 -8.157 13.975 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.167 -7.087 15.481 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.496 -6.042 15.016 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.271 -8.852 15.453 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.890 -6.219 17.811 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.505 -9.533 17.465 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.126 -6.898 19.819 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.935 -8.559 19.650 1.00 0.00 H new ATOM 818 N VAL A 53 -1.198 -6.238 12.938 1.00 0.00 N ATOM 819 CA VAL A 53 -0.759 -5.414 11.820 1.00 0.00 C ATOM 820 C VAL A 53 0.730 -5.105 11.914 1.00 0.00 C ATOM 821 O VAL A 53 1.327 -5.204 12.986 1.00 0.00 O ATOM 822 CB VAL A 53 -1.554 -4.096 11.783 1.00 0.00 C ATOM 823 CG1 VAL A 53 -3.043 -4.374 11.655 1.00 0.00 C ATOM 824 CG2 VAL A 53 -1.263 -3.281 13.035 1.00 0.00 C ATOM 0 H VAL A 53 -0.785 -5.984 13.835 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.941 -5.975 10.903 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.243 -3.520 10.911 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.588 -3.431 11.630 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.232 -4.927 10.735 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.378 -4.964 12.508 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.829 -2.350 13.003 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.554 -3.852 13.917 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.197 -3.057 13.084 1.00 0.00 H new ATOM 834 N SER A 54 1.323 -4.729 10.787 1.00 0.00 N ATOM 835 CA SER A 54 2.641 -4.104 10.786 1.00 0.00 C ATOM 836 C SER A 54 2.554 -2.635 10.392 1.00 0.00 C ATOM 837 O SER A 54 2.208 -2.306 9.256 1.00 0.00 O ATOM 838 CB SER A 54 3.566 -4.837 9.835 1.00 0.00 C ATOM 839 OG SER A 54 3.911 -6.098 10.342 1.00 0.00 O ATOM 0 H SER A 54 0.912 -4.846 9.861 1.00 0.00 H new ATOM 0 HA SER A 54 3.041 -4.164 11.798 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.081 -4.951 8.866 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.468 -4.247 9.672 1.00 0.00 H new ATOM 0 HG SER A 54 3.407 -6.791 9.867 1.00 0.00 H new ATOM 845 N GLN A 55 2.870 -1.755 11.335 1.00 0.00 N ATOM 846 CA GLN A 55 2.741 -0.319 11.118 1.00 0.00 C ATOM 847 C GLN A 55 4.098 0.325 10.870 1.00 0.00 C ATOM 848 O GLN A 55 5.030 0.155 11.657 1.00 0.00 O ATOM 849 CB GLN A 55 2.058 0.347 12.316 1.00 0.00 C ATOM 850 CG GLN A 55 1.759 1.823 12.122 1.00 0.00 C ATOM 851 CD GLN A 55 0.968 2.410 13.276 1.00 0.00 C ATOM 852 OE1 GLN A 55 0.819 1.782 14.328 1.00 0.00 O ATOM 853 NE2 GLN A 55 0.456 3.620 13.086 1.00 0.00 N ATOM 0 H GLN A 55 3.218 -2.011 12.259 1.00 0.00 H new ATOM 0 HA GLN A 55 2.125 -0.172 10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.125 -0.177 12.525 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.693 0.229 13.194 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.696 2.369 12.012 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.200 1.959 11.196 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.604 4.103 12.200 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.085 4.067 13.826 1.00 0.00 H new ATOM 862 N GLY A 56 4.206 1.065 9.772 1.00 0.00 N ATOM 863 CA GLY A 56 5.473 1.664 9.372 1.00 0.00 C ATOM 864 C GLY A 56 5.796 2.887 10.222 1.00 0.00 C ATOM 865 O GLY A 56 5.045 3.239 11.131 1.00 0.00 O ATOM 0 H GLY A 56 3.429 1.264 9.142 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.272 0.929 9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.428 1.950 8.321 1.00 0.00 H new ATOM 869 N GLY A 57 6.919 3.530 9.921 1.00 0.00 N ATOM 870 CA GLY A 57 7.352 4.706 10.666 1.00 0.00 C ATOM 871 C GLY A 57 6.873 5.989 10.000 1.00 0.00 C ATOM 872 O GLY A 57 6.073 5.952 9.064 1.00 0.00 O ATOM 0 H GLY A 57 7.547 3.256 9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.967 4.656 11.684 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.440 4.714 10.737 1.00 0.00 H new ATOM 876 N CYS A 58 7.364 7.123 10.487 1.00 0.00 N ATOM 877 CA CYS A 58 7.034 8.416 9.901 1.00 0.00 C ATOM 878 C CYS A 58 8.126 8.886 8.949 1.00 0.00 C ATOM 879 O CYS A 58 9.314 8.743 9.235 1.00 0.00 O ATOM 880 CB CYS A 58 6.831 9.466 10.994 1.00 0.00 C ATOM 881 SG CYS A 58 6.267 11.071 10.382 1.00 0.00 S ATOM 0 H CYS A 58 7.993 7.173 11.288 1.00 0.00 H new ATOM 0 HA CYS A 58 6.108 8.293 9.339 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.105 9.089 11.715 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.770 9.603 11.530 1.00 0.00 H new ATOM 0 HG CYS A 58 5.404 11.574 11.214 1.00 0.00 H new ATOM 887 N PRO A 59 7.715 9.446 7.816 1.00 0.00 N ATOM 888 CA PRO A 59 8.658 9.975 6.838 1.00 0.00 C ATOM 889 C PRO A 59 9.630 10.955 7.483 1.00 0.00 C ATOM 890 O PRO A 59 10.775 11.084 7.051 1.00 0.00 O ATOM 891 CB PRO A 59 7.746 10.670 5.822 1.00 0.00 C ATOM 892 CG PRO A 59 6.469 9.905 5.894 1.00 0.00 C ATOM 893 CD PRO A 59 6.311 9.578 7.354 1.00 0.00 C ATOM 0 HA PRO A 59 9.289 9.208 6.388 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.596 11.720 6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.172 10.641 4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.630 10.496 5.526 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.513 9.001 5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.781 10.366 7.890 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.748 8.657 7.503 1.00 0.00 H new ATOM 901 N ARG A 60 9.166 11.644 8.519 1.00 0.00 N ATOM 902 CA ARG A 60 9.961 12.681 9.168 1.00 0.00 C ATOM 903 C ARG A 60 10.804 12.103 10.297 1.00 0.00 C ATOM 904 O ARG A 60 11.474 12.837 11.023 1.00 0.00 O ATOM 905 CB ARG A 60 9.062 13.778 9.721 1.00 0.00 C ATOM 906 CG ARG A 60 8.305 14.574 8.671 1.00 0.00 C ATOM 907 CD ARG A 60 7.472 15.640 9.284 1.00 0.00 C ATOM 908 NE ARG A 60 6.746 16.405 8.283 1.00 0.00 N ATOM 909 CZ ARG A 60 5.876 17.395 8.559 1.00 0.00 C ATOM 910 NH1 ARG A 60 5.633 17.728 9.808 1.00 0.00 N ATOM 911 NH2 ARG A 60 5.265 18.033 7.575 1.00 0.00 N ATOM 0 H ARG A 60 8.242 11.503 8.928 1.00 0.00 H new ATOM 0 HA ARG A 60 10.626 13.103 8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.342 13.328 10.404 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.671 14.465 10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.013 15.021 7.973 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.670 13.903 8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.765 15.192 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.108 16.310 9.862 1.00 0.00 H new ATOM 0 HE ARG A 60 6.907 16.175 7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.104 17.236 10.568 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.974 18.478 10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.453 17.775 6.606 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.606 18.783 7.785 1.00 0.00 H new ATOM 925 N GLY A 61 10.767 10.782 10.439 1.00 0.00 N ATOM 926 CA GLY A 61 11.634 10.090 11.386 1.00 0.00 C ATOM 927 C GLY A 61 11.127 10.248 12.814 1.00 0.00 C ATOM 928 O GLY A 61 11.878 10.069 13.773 1.00 0.00 O ATOM 0 H GLY A 61 10.146 10.169 9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.685 9.032 11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.647 10.485 11.311 1.00 0.00 H new ATOM 932 N ASN A 62 9.850 10.586 12.950 1.00 0.00 N ATOM 933 CA ASN A 62 9.247 10.795 14.260 1.00 0.00 C ATOM 934 C ASN A 62 8.730 9.487 14.844 1.00 0.00 C ATOM 935 O ASN A 62 8.699 9.308 16.062 1.00 0.00 O ATOM 936 CB ASN A 62 8.132 11.821 14.178 1.00 0.00 C ATOM 937 CG ASN A 62 8.640 13.202 13.869 1.00 0.00 C ATOM 938 OD1 ASN A 62 9.803 13.524 14.135 1.00 0.00 O ATOM 939 ND2 ASN A 62 7.789 14.026 13.310 1.00 0.00 N ATOM 0 H ASN A 62 9.211 10.721 12.167 1.00 0.00 H new ATOM 0 HA ASN A 62 10.020 11.177 14.927 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.421 11.519 13.409 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.590 11.840 15.124 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.077 14.976 13.077 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.838 13.717 13.108 1.00 0.00 H new ATOM 946 N GLY A 63 8.323 8.574 13.969 1.00 0.00 N ATOM 947 CA GLY A 63 7.740 7.308 14.397 1.00 0.00 C ATOM 948 C GLY A 63 6.220 7.386 14.437 1.00 0.00 C ATOM 949 O GLY A 63 5.539 6.367 14.553 1.00 0.00 O ATOM 0 H GLY A 63 8.386 8.688 12.957 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.048 6.514 13.716 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.119 7.046 15.385 1.00 0.00 H new ATOM 953 N THR A 64 5.692 8.603 14.339 1.00 0.00 N ATOM 954 CA THR A 64 4.250 8.817 14.368 1.00 0.00 C ATOM 955 C THR A 64 3.800 9.692 13.207 1.00 0.00 C ATOM 956 O THR A 64 4.379 10.748 12.951 1.00 0.00 O ATOM 957 CB THR A 64 3.813 9.457 15.699 1.00 0.00 C ATOM 958 OG1 THR A 64 4.171 8.595 16.788 1.00 0.00 O ATOM 959 CG2 THR A 64 2.309 9.685 15.712 1.00 0.00 C ATOM 0 H THR A 64 6.242 9.456 14.239 1.00 0.00 H new ATOM 0 HA THR A 64 3.776 7.840 14.274 1.00 0.00 H new ATOM 0 HB THR A 64 4.318 10.417 15.806 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.894 9.004 17.634 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.018 10.138 16.660 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.035 10.350 14.893 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.795 8.731 15.593 1.00 0.00 H new ATOM 967 N GLY A 65 2.763 9.249 12.504 1.00 0.00 N ATOM 968 CA GLY A 65 2.244 9.982 11.356 1.00 0.00 C ATOM 969 C GLY A 65 2.217 11.480 11.625 1.00 0.00 C ATOM 970 O GLY A 65 1.511 11.946 12.521 1.00 0.00 O ATOM 0 H GLY A 65 2.265 8.383 12.710 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.862 9.778 10.482 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.238 9.634 11.123 1.00 0.00 H new ATOM 974 N ASP A 66 2.987 12.231 10.846 1.00 0.00 N ATOM 975 CA ASP A 66 3.044 13.681 10.994 1.00 0.00 C ATOM 976 C ASP A 66 2.826 14.379 9.658 1.00 0.00 C ATOM 977 O ASP A 66 3.689 15.118 9.185 1.00 0.00 O ATOM 978 CB ASP A 66 4.391 14.106 11.585 1.00 0.00 C ATOM 979 CG ASP A 66 4.435 15.582 11.958 1.00 0.00 C ATOM 980 OD1 ASP A 66 3.389 16.173 12.086 1.00 0.00 O ATOM 981 OD2 ASP A 66 5.513 16.104 12.111 1.00 0.00 O ATOM 0 H ASP A 66 3.581 11.860 10.105 1.00 0.00 H new ATOM 0 HA ASP A 66 2.245 13.977 11.673 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.599 13.506 12.471 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.181 13.895 10.864 1.00 0.00 H new ATOM 986 N ALA A 67 1.667 14.141 9.054 1.00 0.00 N ATOM 987 CA ALA A 67 1.358 14.697 7.742 1.00 0.00 C ATOM 988 C ALA A 67 1.116 16.199 7.822 1.00 0.00 C ATOM 989 O ALA A 67 0.722 16.719 8.867 1.00 0.00 O ATOM 990 CB ALA A 67 0.148 13.997 7.142 1.00 0.00 C ATOM 0 H ALA A 67 0.925 13.566 9.453 1.00 0.00 H new ATOM 0 HA ALA A 67 2.219 14.529 7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.070 14.423 6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.359 12.933 7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.713 14.133 7.797 1.00 0.00 H new ATOM 996 N GLY A 68 1.353 16.891 6.714 1.00 0.00 N ATOM 997 CA GLY A 68 0.996 18.301 6.600 1.00 0.00 C ATOM 998 C GLY A 68 -0.243 18.486 5.732 1.00 0.00 C ATOM 999 O GLY A 68 -0.309 19.408 4.919 1.00 0.00 O ATOM 0 H GLY A 68 1.791 16.499 5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.814 18.714 7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.830 18.857 6.172 1.00 0.00 H new ATOM 1003 N TYR A 69 -1.220 17.604 5.908 1.00 0.00 N ATOM 1004 CA TYR A 69 -2.441 17.644 5.111 1.00 0.00 C ATOM 1005 C TYR A 69 -3.571 16.887 5.797 1.00 0.00 C ATOM 1006 O TYR A 69 -3.376 16.281 6.850 1.00 0.00 O ATOM 1007 CB TYR A 69 -2.187 17.068 3.716 1.00 0.00 C ATOM 1008 CG TYR A 69 -1.664 15.648 3.727 1.00 0.00 C ATOM 1009 CD1 TYR A 69 -2.520 14.597 4.023 1.00 0.00 C ATOM 1010 CD2 TYR A 69 -0.331 15.399 3.440 1.00 0.00 C ATOM 1011 CE1 TYR A 69 -2.042 13.301 4.033 1.00 0.00 C ATOM 1012 CE2 TYR A 69 0.147 14.103 3.450 1.00 0.00 C ATOM 1013 CZ TYR A 69 -0.704 13.057 3.745 1.00 0.00 C ATOM 1014 OH TYR A 69 -0.229 11.765 3.755 1.00 0.00 O ATOM 0 H TYR A 69 -1.191 16.852 6.596 1.00 0.00 H new ATOM 0 HA TYR A 69 -2.743 18.687 5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.116 17.099 3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.472 17.705 3.195 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.559 14.792 4.245 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.334 16.218 3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.705 12.480 4.264 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.186 13.908 3.227 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.719 11.241 4.423 1.00 0.00 H new ATOM 1024 N THR A 70 -4.754 16.927 5.193 1.00 0.00 N ATOM 1025 CA THR A 70 -5.932 16.289 5.771 1.00 0.00 C ATOM 1026 C THR A 70 -6.637 15.407 4.749 1.00 0.00 C ATOM 1027 O THR A 70 -6.950 15.849 3.644 1.00 0.00 O ATOM 1028 CB THR A 70 -6.918 17.338 6.318 1.00 0.00 C ATOM 1029 OG1 THR A 70 -6.272 18.123 7.330 1.00 0.00 O ATOM 1030 CG2 THR A 70 -8.141 16.659 6.914 1.00 0.00 C ATOM 0 H THR A 70 -4.923 17.395 4.303 1.00 0.00 H new ATOM 0 HA THR A 70 -5.589 15.664 6.596 1.00 0.00 H new ATOM 0 HB THR A 70 -7.235 17.980 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.900 18.791 7.676 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.827 17.415 7.296 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.641 16.070 6.145 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.833 16.004 7.729 1.00 0.00 H new ATOM 1038 N ILE A 71 -6.885 14.157 5.126 1.00 0.00 N ATOM 1039 CA ILE A 71 -7.658 13.245 4.291 1.00 0.00 C ATOM 1040 C ILE A 71 -8.880 12.720 5.035 1.00 0.00 C ATOM 1041 O ILE A 71 -8.757 12.103 6.092 1.00 0.00 O ATOM 1042 CB ILE A 71 -6.792 12.060 3.825 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -5.601 12.560 3.005 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -7.627 11.079 3.015 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.645 11.466 2.588 1.00 0.00 C ATOM 0 H ILE A 71 -6.562 13.752 6.005 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.992 13.807 3.419 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.410 11.541 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.972 13.065 2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.057 13.303 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.000 10.247 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.443 10.701 3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.036 11.585 2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.827 11.898 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.244 10.976 3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.174 10.734 1.977 1.00 0.00 H new ATOM 1057 N PRO A 72 -10.059 12.970 4.475 1.00 0.00 N ATOM 1058 CA PRO A 72 -11.305 12.509 5.076 1.00 0.00 C ATOM 1059 C PRO A 72 -11.453 10.998 4.945 1.00 0.00 C ATOM 1060 O PRO A 72 -11.035 10.408 3.950 1.00 0.00 O ATOM 1061 CB PRO A 72 -12.372 13.253 4.267 1.00 0.00 C ATOM 1062 CG PRO A 72 -11.741 13.465 2.934 1.00 0.00 C ATOM 1063 CD PRO A 72 -10.297 13.758 3.247 1.00 0.00 C ATOM 0 HA PRO A 72 -11.368 12.707 6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.288 12.669 4.185 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.639 14.200 4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.840 12.582 2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.208 14.293 2.400 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.637 13.451 2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.127 14.822 3.410 1.00 0.00 H new ATOM 1071 N CYS A 73 -12.050 10.378 5.957 1.00 0.00 N ATOM 1072 CA CYS A 73 -12.227 8.931 5.972 1.00 0.00 C ATOM 1073 C CYS A 73 -13.215 8.485 4.902 1.00 0.00 C ATOM 1074 O CYS A 73 -14.335 8.988 4.829 1.00 0.00 O ATOM 1075 CB CYS A 73 -12.720 8.463 7.341 1.00 0.00 C ATOM 1076 SG CYS A 73 -12.934 6.672 7.478 1.00 0.00 S ATOM 0 H CYS A 73 -12.420 10.856 6.779 1.00 0.00 H new ATOM 0 HA CYS A 73 -11.256 8.481 5.763 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -12.012 8.793 8.102 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -13.671 8.949 7.558 1.00 0.00 H new ATOM 0 HG CYS A 73 -13.351 6.375 8.673 1.00 0.00 H new ATOM 1082 N GLU A 74 -12.791 7.537 4.071 1.00 0.00 N ATOM 1083 CA GLU A 74 -13.617 7.061 2.969 1.00 0.00 C ATOM 1084 C GLU A 74 -14.710 6.122 3.463 1.00 0.00 C ATOM 1085 O GLU A 74 -14.433 4.999 3.884 1.00 0.00 O ATOM 1086 CB GLU A 74 -12.754 6.349 1.924 1.00 0.00 C ATOM 1087 CG GLU A 74 -11.730 7.244 1.240 1.00 0.00 C ATOM 1088 CD GLU A 74 -12.360 8.289 0.361 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -13.545 8.215 0.139 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -11.656 9.162 -0.088 1.00 0.00 O ATOM 0 H GLU A 74 -11.880 7.084 4.141 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.092 7.929 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.232 5.521 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.406 5.917 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.120 7.734 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.060 6.628 0.640 1.00 0.00 H new ATOM 1097 N THR A 75 -15.952 6.588 3.411 1.00 0.00 N ATOM 1098 CA THR A 75 -17.088 5.800 3.874 1.00 0.00 C ATOM 1099 C THR A 75 -18.177 5.725 2.813 1.00 0.00 C ATOM 1100 O THR A 75 -19.132 4.959 2.942 1.00 0.00 O ATOM 1101 CB THR A 75 -17.672 6.380 5.175 1.00 0.00 C ATOM 1102 OG1 THR A 75 -18.146 7.712 4.937 1.00 0.00 O ATOM 1103 CG2 THR A 75 -16.615 6.410 6.269 1.00 0.00 C ATOM 0 H THR A 75 -16.199 7.510 3.052 1.00 0.00 H new ATOM 0 HA THR A 75 -16.722 4.792 4.071 1.00 0.00 H new ATOM 0 HB THR A 75 -18.497 5.745 5.499 1.00 0.00 H new ATOM 0 HG1 THR A 75 -18.519 8.079 5.765 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.047 6.823 7.181 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.262 5.397 6.461 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.778 7.032 5.950 1.00 0.00 H new ATOM 1111 N ASP A 76 -18.029 6.525 1.763 1.00 0.00 N ATOM 1112 CA ASP A 76 -19.032 6.598 0.706 1.00 0.00 C ATOM 1113 C ASP A 76 -18.643 5.731 -0.484 1.00 0.00 C ATOM 1114 O ASP A 76 -19.386 5.629 -1.460 1.00 0.00 O ATOM 1115 CB ASP A 76 -19.226 8.045 0.250 1.00 0.00 C ATOM 1116 CG ASP A 76 -19.748 8.952 1.356 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -20.693 8.576 2.008 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -19.195 10.010 1.539 1.00 0.00 O ATOM 0 H ASP A 76 -17.223 7.133 1.621 1.00 0.00 H new ATOM 0 HA ASP A 76 -19.970 6.222 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -18.276 8.436 -0.115 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -19.922 8.066 -0.588 1.00 0.00 H new ATOM 1123 N ASN A 77 -17.473 5.107 -0.397 1.00 0.00 N ATOM 1124 CA ASN A 77 -16.975 4.258 -1.474 1.00 0.00 C ATOM 1125 C ASN A 77 -16.993 2.789 -1.070 1.00 0.00 C ATOM 1126 O ASN A 77 -17.580 2.422 -0.052 1.00 0.00 O ATOM 1127 CB ASN A 77 -15.577 4.682 -1.886 1.00 0.00 C ATOM 1128 CG ASN A 77 -15.555 6.033 -2.547 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -16.538 6.448 -3.170 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -14.451 6.724 -2.424 1.00 0.00 N ATOM 0 H ASN A 77 -16.851 5.173 0.409 1.00 0.00 H new ATOM 0 HA ASN A 77 -17.639 4.378 -2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -14.933 4.701 -1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.163 3.940 -2.569 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.376 7.647 -2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.665 6.340 -1.900 1.00 0.00 H new ATOM 1137 N ASN A 78 -16.345 1.952 -1.873 1.00 0.00 N ATOM 1138 CA ASN A 78 -16.278 0.522 -1.597 1.00 0.00 C ATOM 1139 C ASN A 78 -15.854 0.260 -0.158 1.00 0.00 C ATOM 1140 O ASN A 78 -15.016 0.974 0.394 1.00 0.00 O ATOM 1141 CB ASN A 78 -15.334 -0.165 -2.565 1.00 0.00 C ATOM 1142 CG ASN A 78 -15.881 -0.219 -3.965 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -17.097 -0.144 -4.173 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -15.006 -0.348 -4.929 1.00 0.00 N ATOM 0 H ASN A 78 -15.858 2.240 -2.722 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.276 0.106 -1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.380 0.362 -2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -15.136 -1.179 -2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -15.318 -0.390 -5.899 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.011 -0.406 -4.711 1.00 0.00 H new ATOM 1151 N PRO A 79 -16.438 -0.769 0.447 1.00 0.00 N ATOM 1152 CA PRO A 79 -16.131 -1.122 1.828 1.00 0.00 C ATOM 1153 C PRO A 79 -14.629 -1.253 2.042 1.00 0.00 C ATOM 1154 O PRO A 79 -13.917 -1.801 1.200 1.00 0.00 O ATOM 1155 CB PRO A 79 -16.848 -2.463 2.010 1.00 0.00 C ATOM 1156 CG PRO A 79 -18.022 -2.377 1.096 1.00 0.00 C ATOM 1157 CD PRO A 79 -17.503 -1.646 -0.113 1.00 0.00 C ATOM 0 HA PRO A 79 -16.453 -0.369 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.200 -3.300 1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.159 -2.611 3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -18.394 -3.367 0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.849 -1.840 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -17.106 -2.334 -0.859 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -18.287 -1.066 -0.599 1.00 0.00 H new ATOM 1165 N HIS A 80 -14.150 -0.749 3.175 1.00 0.00 N ATOM 1166 CA HIS A 80 -12.729 -0.797 3.495 1.00 0.00 C ATOM 1167 C HIS A 80 -12.455 -1.769 4.637 1.00 0.00 C ATOM 1168 O HIS A 80 -12.235 -1.357 5.776 1.00 0.00 O ATOM 1169 CB HIS A 80 -12.211 0.596 3.867 1.00 0.00 C ATOM 1170 CG HIS A 80 -12.430 1.623 2.800 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -11.474 1.927 1.854 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -13.493 2.417 2.532 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -11.943 2.864 1.047 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -13.164 3.178 1.437 1.00 0.00 N ATOM 0 H HIS A 80 -14.727 -0.302 3.888 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.203 -1.147 2.607 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.703 0.925 4.782 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.145 0.532 4.084 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -10.551 1.497 1.787 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.425 2.447 3.077 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.416 3.299 0.210 1.00 0.00 H new ATOM 1181 N ARG A 81 -12.467 -3.060 4.324 1.00 0.00 N ATOM 1182 CA ARG A 81 -12.253 -4.093 5.329 1.00 0.00 C ATOM 1183 C ARG A 81 -10.769 -4.293 5.606 1.00 0.00 C ATOM 1184 O ARG A 81 -9.948 -4.271 4.690 1.00 0.00 O ATOM 1185 CB ARG A 81 -12.864 -5.413 4.880 1.00 0.00 C ATOM 1186 CG ARG A 81 -14.380 -5.410 4.764 1.00 0.00 C ATOM 1187 CD ARG A 81 -14.899 -6.727 4.315 1.00 0.00 C ATOM 1188 NE ARG A 81 -16.347 -6.724 4.186 1.00 0.00 N ATOM 1189 CZ ARG A 81 -17.079 -7.769 3.755 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -16.486 -8.893 3.418 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -18.394 -7.667 3.673 1.00 0.00 N ATOM 0 H ARG A 81 -12.623 -3.416 3.381 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.740 -3.762 6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.441 -5.682 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.570 -6.191 5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.818 -5.156 5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.690 -4.638 4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.450 -6.987 3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.600 -7.497 5.026 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.844 -5.870 4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.471 -8.974 3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.041 -9.684 3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.855 -6.796 3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.948 -8.459 3.346 1.00 0.00 H new ATOM 1205 N HIS A 82 -10.430 -4.488 6.877 1.00 0.00 N ATOM 1206 CA HIS A 82 -9.043 -4.682 7.278 1.00 0.00 C ATOM 1207 C HIS A 82 -8.729 -6.160 7.478 1.00 0.00 C ATOM 1208 O HIS A 82 -8.706 -6.653 8.606 1.00 0.00 O ATOM 1209 CB HIS A 82 -8.739 -3.911 8.568 1.00 0.00 C ATOM 1210 CG HIS A 82 -8.776 -2.424 8.402 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -9.955 -1.717 8.295 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -7.781 -1.510 8.324 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -9.683 -0.431 8.159 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -8.371 -0.279 8.173 1.00 0.00 N ATOM 0 H HIS A 82 -11.099 -4.516 7.647 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.413 -4.298 6.476 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.460 -4.201 9.333 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.754 -4.203 8.932 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -10.890 -2.123 8.317 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.721 -1.711 8.372 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.410 0.361 8.054 1.00 0.00 H new ATOM 1221 N VAL A 83 -8.487 -6.861 6.377 1.00 0.00 N ATOM 1222 CA VAL A 83 -8.253 -8.300 6.420 1.00 0.00 C ATOM 1223 C VAL A 83 -6.850 -8.644 5.935 1.00 0.00 C ATOM 1224 O VAL A 83 -6.075 -7.761 5.570 1.00 0.00 O ATOM 1225 CB VAL A 83 -9.289 -9.037 5.551 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -10.695 -8.791 6.077 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -9.167 -8.585 4.104 1.00 0.00 C ATOM 0 H VAL A 83 -8.448 -6.456 5.442 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.353 -8.621 7.457 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.093 -10.108 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.415 -9.319 5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -10.769 -9.155 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.910 -7.723 6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.903 -9.111 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.345 -7.511 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.166 -8.809 3.736 1.00 0.00 H new ATOM 1237 N THR A 84 -6.531 -9.934 5.934 1.00 0.00 N ATOM 1238 CA THR A 84 -5.212 -10.397 5.516 1.00 0.00 C ATOM 1239 C THR A 84 -4.807 -9.776 4.185 1.00 0.00 C ATOM 1240 O THR A 84 -5.399 -10.070 3.146 1.00 0.00 O ATOM 1241 CB THR A 84 -5.173 -11.931 5.404 1.00 0.00 C ATOM 1242 OG1 THR A 84 -5.511 -12.515 6.669 1.00 0.00 O ATOM 1243 CG2 THR A 84 -3.787 -12.401 4.988 1.00 0.00 C ATOM 0 H THR A 84 -7.168 -10.678 6.218 1.00 0.00 H new ATOM 0 HA THR A 84 -4.502 -10.082 6.281 1.00 0.00 H new ATOM 0 HB THR A 84 -5.894 -12.242 4.648 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.782 -12.360 7.306 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.779 -13.488 4.914 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.532 -11.969 4.020 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.056 -12.082 5.731 1.00 0.00 H new ATOM 1251 N GLY A 85 -3.796 -8.915 4.222 1.00 0.00 N ATOM 1252 CA GLY A 85 -3.239 -8.333 3.007 1.00 0.00 C ATOM 1253 C GLY A 85 -3.595 -6.857 2.889 1.00 0.00 C ATOM 1254 O GLY A 85 -2.834 -6.068 2.331 1.00 0.00 O ATOM 0 H GLY A 85 -3.345 -8.604 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.155 -8.449 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.616 -8.871 2.137 1.00 0.00 H new ATOM 1258 N ALA A 86 -4.757 -6.490 3.419 1.00 0.00 N ATOM 1259 CA ALA A 86 -5.260 -5.127 3.294 1.00 0.00 C ATOM 1260 C ALA A 86 -4.293 -4.125 3.910 1.00 0.00 C ATOM 1261 O ALA A 86 -3.726 -4.370 4.976 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.631 -5.006 3.942 1.00 0.00 C ATOM 0 H ALA A 86 -5.369 -7.118 3.940 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.351 -4.899 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.993 -3.983 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.327 -5.687 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.558 -5.261 4.999 1.00 0.00 H new ATOM 1268 N MET A 87 -4.109 -2.996 3.235 1.00 0.00 N ATOM 1269 CA MET A 87 -3.206 -1.955 3.713 1.00 0.00 C ATOM 1270 C MET A 87 -3.937 -0.630 3.888 1.00 0.00 C ATOM 1271 O MET A 87 -4.556 -0.123 2.953 1.00 0.00 O ATOM 1272 CB MET A 87 -2.031 -1.792 2.751 1.00 0.00 C ATOM 1273 CG MET A 87 -1.041 -0.704 3.144 1.00 0.00 C ATOM 1274 SD MET A 87 0.468 -0.748 2.157 1.00 0.00 S ATOM 1275 CE MET A 87 -0.175 -0.345 0.536 1.00 0.00 C ATOM 0 H MET A 87 -4.574 -2.778 2.354 1.00 0.00 H new ATOM 0 HA MET A 87 -2.825 -2.259 4.688 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.500 -2.741 2.682 1.00 0.00 H new ATOM 0 HB3 MET A 87 -2.419 -1.571 1.757 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.515 0.271 3.032 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.785 -0.815 4.198 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.526 0.311 0.019 1.00 0.00 H new ATOM 0 HE2 MET A 87 -0.308 -1.260 -0.041 1.00 0.00 H new ATOM 0 HE3 MET A 87 -1.135 0.160 0.641 1.00 0.00 H new ATOM 1285 N SER A 88 -3.861 -0.073 5.092 1.00 0.00 N ATOM 1286 CA SER A 88 -4.720 1.040 5.478 1.00 0.00 C ATOM 1287 C SER A 88 -3.901 2.215 5.996 1.00 0.00 C ATOM 1288 O SER A 88 -2.875 2.027 6.650 1.00 0.00 O ATOM 1289 CB SER A 88 -5.708 0.594 6.537 1.00 0.00 C ATOM 1290 OG SER A 88 -6.463 1.677 7.008 1.00 0.00 O ATOM 0 H SER A 88 -3.212 -0.375 5.818 1.00 0.00 H new ATOM 0 HA SER A 88 -5.264 1.368 4.592 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.373 -0.164 6.123 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.173 0.131 7.366 1.00 0.00 H new ATOM 0 HG SER A 88 -7.317 1.351 7.361 1.00 0.00 H new ATOM 1296 N MET A 89 -4.359 3.425 5.700 1.00 0.00 N ATOM 1297 CA MET A 89 -3.697 4.634 6.177 1.00 0.00 C ATOM 1298 C MET A 89 -4.255 5.072 7.524 1.00 0.00 C ATOM 1299 O MET A 89 -5.469 5.181 7.699 1.00 0.00 O ATOM 1300 CB MET A 89 -3.842 5.755 5.150 1.00 0.00 C ATOM 1301 CG MET A 89 -3.130 7.048 5.525 1.00 0.00 C ATOM 1302 SD MET A 89 -1.335 6.870 5.559 1.00 0.00 S ATOM 1303 CE MET A 89 -0.979 6.703 3.811 1.00 0.00 C ATOM 0 H MET A 89 -5.188 3.596 5.131 1.00 0.00 H new ATOM 0 HA MET A 89 -2.638 4.411 6.310 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.455 5.406 4.192 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.902 5.966 5.008 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.400 7.827 4.812 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.477 7.378 6.504 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.087 6.851 3.641 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.265 5.706 3.475 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.543 7.450 3.252 1.00 0.00 H new ATOM 1313 N ALA A 90 -3.362 5.323 8.475 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.763 5.762 9.807 1.00 0.00 C ATOM 1315 C ALA A 90 -4.289 7.191 9.780 1.00 0.00 C ATOM 1316 O ALA A 90 -3.773 8.040 9.053 1.00 0.00 O ATOM 1317 CB ALA A 90 -2.596 5.646 10.777 1.00 0.00 C ATOM 0 H ALA A 90 -2.354 5.230 8.348 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.569 5.112 10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.911 5.977 11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.268 4.608 10.829 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.772 6.270 10.431 1.00 0.00 H new ATOM 1323 N HIS A 91 -5.320 7.452 10.578 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.916 8.780 10.649 1.00 0.00 C ATOM 1325 C HIS A 91 -5.493 9.506 11.920 1.00 0.00 C ATOM 1326 O HIS A 91 -5.751 9.038 13.029 1.00 0.00 O ATOM 1327 CB HIS A 91 -7.445 8.691 10.591 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.978 8.379 9.226 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -8.479 9.349 8.384 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -8.087 7.207 8.560 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -8.874 8.786 7.256 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -8.647 7.487 7.337 1.00 0.00 N ATOM 0 H HIS A 91 -5.760 6.760 11.185 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.558 9.347 9.789 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.782 7.923 11.287 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.868 9.637 10.929 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -8.536 10.345 8.598 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.790 6.234 8.922 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.309 9.300 6.411 1.00 0.00 H new ATOM 1339 N ARG A 92 -4.841 10.651 11.752 1.00 0.00 N ATOM 1340 CA ARG A 92 -4.454 11.486 12.882 1.00 0.00 C ATOM 1341 C ARG A 92 -5.628 12.320 13.379 1.00 0.00 C ATOM 1342 O ARG A 92 -5.633 13.544 13.247 1.00 0.00 O ATOM 1343 CB ARG A 92 -3.307 12.410 12.499 1.00 0.00 C ATOM 1344 CG ARG A 92 -2.856 13.359 13.598 1.00 0.00 C ATOM 1345 CD ARG A 92 -1.746 14.236 13.144 1.00 0.00 C ATOM 1346 NE ARG A 92 -2.149 15.095 12.042 1.00 0.00 N ATOM 1347 CZ ARG A 92 -1.299 15.681 11.177 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -0.003 15.492 11.299 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -1.766 16.446 10.206 1.00 0.00 N ATOM 0 H ARG A 92 -4.569 11.022 10.842 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.131 10.821 13.683 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.456 11.802 12.193 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.607 12.998 11.632 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.698 13.973 13.917 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.534 12.784 14.466 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.405 14.850 13.977 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -0.901 13.621 12.835 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.147 15.266 11.915 1.00 0.00 H new ATOM 0 HH11 ARG A 92 0.358 14.902 12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.641 15.936 10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.771 16.593 10.111 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.122 16.889 9.551 1.00 0.00 H new ATOM 1363 N GLY A 93 -6.623 11.650 13.951 1.00 0.00 N ATOM 1364 CA GLY A 93 -7.844 12.315 14.387 1.00 0.00 C ATOM 1365 C GLY A 93 -8.978 12.094 13.394 1.00 0.00 C ATOM 1366 O GLY A 93 -8.800 11.432 12.372 1.00 0.00 O ATOM 0 H GLY A 93 -6.607 10.645 14.123 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.137 11.937 15.367 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.659 13.383 14.499 1.00 0.00 H new ATOM 1370 N ARG A 94 -10.143 12.654 13.700 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.322 12.478 12.859 1.00 0.00 C ATOM 1372 C ARG A 94 -11.079 13.008 11.452 1.00 0.00 C ATOM 1373 O ARG A 94 -10.776 14.187 11.266 1.00 0.00 O ATOM 1374 CB ARG A 94 -12.523 13.188 13.466 1.00 0.00 C ATOM 1375 CG ARG A 94 -13.839 12.953 12.741 1.00 0.00 C ATOM 1376 CD ARG A 94 -14.966 13.654 13.407 1.00 0.00 C ATOM 1377 NE ARG A 94 -15.198 13.152 14.752 1.00 0.00 N ATOM 1378 CZ ARG A 94 -15.902 12.041 15.043 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -16.438 11.330 14.075 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -16.057 11.667 16.301 1.00 0.00 N ATOM 0 H ARG A 94 -10.297 13.234 14.525 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.526 11.409 12.800 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.633 12.865 14.501 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.322 14.259 13.486 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.754 13.298 11.711 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.047 11.884 12.702 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.754 14.722 13.450 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.872 13.532 12.813 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.800 13.678 15.530 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.321 11.620 13.104 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.971 10.489 14.295 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.644 12.220 17.052 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.590 10.826 16.521 1.00 0.00 H new ATOM 1394 N ASP A 95 -11.214 12.131 10.463 1.00 0.00 N ATOM 1395 CA ASP A 95 -11.141 12.536 9.064 1.00 0.00 C ATOM 1396 C ASP A 95 -9.859 13.308 8.781 1.00 0.00 C ATOM 1397 O ASP A 95 -9.884 14.362 8.145 1.00 0.00 O ATOM 1398 CB ASP A 95 -12.352 13.394 8.690 1.00 0.00 C ATOM 1399 CG ASP A 95 -13.648 12.596 8.633 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -13.664 11.573 7.991 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -14.608 13.017 9.233 1.00 0.00 O ATOM 0 H ASP A 95 -11.375 11.134 10.605 1.00 0.00 H new ATOM 0 HA ASP A 95 -11.142 11.630 8.457 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -12.459 14.199 9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -12.175 13.860 7.721 1.00 0.00 H new ATOM 1406 N THR A 96 -8.737 12.777 9.257 1.00 0.00 N ATOM 1407 CA THR A 96 -7.440 13.408 9.043 1.00 0.00 C ATOM 1408 C THR A 96 -6.357 12.367 8.786 1.00 0.00 C ATOM 1409 O THR A 96 -5.506 12.118 9.641 1.00 0.00 O ATOM 1410 CB THR A 96 -7.043 14.281 10.248 1.00 0.00 C ATOM 1411 OG1 THR A 96 -8.107 15.192 10.552 1.00 0.00 O ATOM 1412 CG2 THR A 96 -5.778 15.068 9.942 1.00 0.00 C ATOM 0 H THR A 96 -8.700 11.911 9.794 1.00 0.00 H new ATOM 0 HA THR A 96 -7.531 14.044 8.162 1.00 0.00 H new ATOM 0 HB THR A 96 -6.856 13.631 11.103 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.880 14.692 10.887 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.512 15.679 10.804 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.964 14.377 9.722 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.950 15.712 9.080 1.00 0.00 H new ATOM 1420 N GLY A 97 -6.393 11.762 7.604 1.00 0.00 N ATOM 1421 CA GLY A 97 -5.402 10.763 7.223 1.00 0.00 C ATOM 1422 C GLY A 97 -3.991 11.334 7.291 1.00 0.00 C ATOM 1423 O GLY A 97 -3.747 12.463 6.864 1.00 0.00 O ATOM 0 H GLY A 97 -7.099 11.947 6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.480 9.899 7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.607 10.411 6.212 1.00 0.00 H new ATOM 1427 N SER A 98 -3.065 10.549 7.830 1.00 0.00 N ATOM 1428 CA SER A 98 -1.680 10.980 7.968 1.00 0.00 C ATOM 1429 C SER A 98 -0.819 10.438 6.834 1.00 0.00 C ATOM 1430 O SER A 98 -1.332 10.039 5.789 1.00 0.00 O ATOM 1431 CB SER A 98 -1.120 10.525 9.301 1.00 0.00 C ATOM 1432 OG SER A 98 -0.959 9.133 9.328 1.00 0.00 O ATOM 0 H SER A 98 -3.250 9.609 8.179 1.00 0.00 H new ATOM 0 HA SER A 98 -1.662 12.069 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.160 11.009 9.481 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.788 10.833 10.105 1.00 0.00 H new ATOM 0 HG SER A 98 -1.835 8.701 9.245 1.00 0.00 H new ATOM 1438 N CYS A 99 0.493 10.425 7.047 1.00 0.00 N ATOM 1439 CA CYS A 99 1.412 9.767 6.128 1.00 0.00 C ATOM 1440 C CYS A 99 1.708 8.340 6.571 1.00 0.00 C ATOM 1441 O CYS A 99 2.283 7.553 5.819 1.00 0.00 O ATOM 1442 CB CYS A 99 2.723 10.546 6.028 1.00 0.00 C ATOM 1443 SG CYS A 99 2.544 12.210 5.339 1.00 0.00 S ATOM 0 H CYS A 99 0.943 10.864 7.850 1.00 0.00 H new ATOM 0 HA CYS A 99 0.931 9.739 5.150 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.165 10.622 7.022 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.422 9.982 5.410 1.00 0.00 H new ATOM 0 HG CYS A 99 1.444 12.278 4.650 1.00 0.00 H new ATOM 1449 N GLN A 100 1.312 8.012 7.796 1.00 0.00 N ATOM 1450 CA GLN A 100 1.662 6.731 8.398 1.00 0.00 C ATOM 1451 C GLN A 100 0.611 5.673 8.090 1.00 0.00 C ATOM 1452 O GLN A 100 -0.586 5.903 8.262 1.00 0.00 O ATOM 1453 CB GLN A 100 1.827 6.878 9.912 1.00 0.00 C ATOM 1454 CG GLN A 100 2.323 5.622 10.610 1.00 0.00 C ATOM 1455 CD GLN A 100 2.796 5.894 12.024 1.00 0.00 C ATOM 1456 OE1 GLN A 100 2.076 6.488 12.832 1.00 0.00 O ATOM 1457 NE2 GLN A 100 4.013 5.461 12.335 1.00 0.00 N ATOM 0 H GLN A 100 0.747 8.617 8.392 1.00 0.00 H new ATOM 0 HA GLN A 100 2.610 6.409 7.967 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.525 7.691 10.113 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.869 7.166 10.344 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.522 4.883 10.634 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.140 5.188 10.034 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.575 4.974 11.637 1.00 0.00 H new ATOM 0 HE22 GLN A 100 4.385 5.615 13.272 1.00 0.00 H new ATOM 1466 N PHE A 101 1.066 4.511 7.631 1.00 0.00 N ATOM 1467 CA PHE A 101 0.163 3.441 7.227 1.00 0.00 C ATOM 1468 C PHE A 101 0.627 2.094 7.766 1.00 0.00 C ATOM 1469 O PHE A 101 1.743 1.969 8.271 1.00 0.00 O ATOM 1470 CB PHE A 101 0.059 3.376 5.701 1.00 0.00 C ATOM 1471 CG PHE A 101 1.365 3.088 5.017 1.00 0.00 C ATOM 1472 CD1 PHE A 101 2.238 4.115 4.695 1.00 0.00 C ATOM 1473 CD2 PHE A 101 1.723 1.786 4.695 1.00 0.00 C ATOM 1474 CE1 PHE A 101 3.439 3.852 4.065 1.00 0.00 C ATOM 1475 CE2 PHE A 101 2.924 1.520 4.066 1.00 0.00 C ATOM 1476 CZ PHE A 101 3.782 2.552 3.751 1.00 0.00 C ATOM 0 H PHE A 101 2.056 4.287 7.530 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.819 3.662 7.646 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.662 2.605 5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.333 4.324 5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.976 5.134 4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.056 0.973 4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.109 4.662 3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.191 0.503 3.821 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.721 2.344 3.259 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.234 1.088 7.656 1.00 0.00 N ATOM 1487 CA PHE A 102 0.062 -0.236 8.187 1.00 0.00 C ATOM 1488 C PHE A 102 -0.546 -1.328 7.316 1.00 0.00 C ATOM 1489 O PHE A 102 -1.557 -1.110 6.646 1.00 0.00 O ATOM 1490 CB PHE A 102 -0.460 -0.368 9.618 1.00 0.00 C ATOM 1491 CG PHE A 102 -1.945 -0.170 9.743 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -2.476 1.097 9.937 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -2.812 -1.249 9.664 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -3.840 1.281 10.052 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -4.177 -1.067 9.778 1.00 0.00 C ATOM 1496 CZ PHE A 102 -4.691 0.197 9.972 1.00 0.00 C ATOM 0 H PHE A 102 -1.144 1.166 7.203 1.00 0.00 H new ATOM 0 HA PHE A 102 1.145 -0.357 8.187 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.201 -1.356 10.000 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.049 0.361 10.249 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.815 1.949 9.999 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.416 -2.242 9.512 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -4.241 2.272 10.204 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -4.842 -1.916 9.715 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.758 0.339 10.061 1.00 0.00 H new ATOM 1506 N ILE A 103 0.073 -2.503 7.329 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.433 -3.645 6.577 1.00 0.00 C ATOM 1508 C ILE A 103 -1.006 -4.707 7.505 1.00 0.00 C ATOM 1509 O ILE A 103 -0.390 -5.068 8.508 1.00 0.00 O ATOM 1510 CB ILE A 103 0.678 -4.266 5.709 1.00 0.00 C ATOM 1511 CG1 ILE A 103 1.245 -3.224 4.742 1.00 0.00 C ATOM 1512 CG2 ILE A 103 0.145 -5.470 4.948 1.00 0.00 C ATOM 1513 CD1 ILE A 103 2.520 -3.659 4.055 1.00 0.00 C ATOM 0 H ILE A 103 0.928 -2.690 7.853 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.230 -3.279 5.930 1.00 0.00 H new ATOM 0 HB ILE A 103 1.483 -4.602 6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.494 -2.998 3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.435 -2.300 5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.942 -5.898 4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.213 -6.218 5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.677 -5.158 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.861 -2.869 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.287 -3.857 4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.332 -4.566 3.480 1.00 0.00 H new ATOM 1525 N VAL A 104 -2.191 -5.204 7.166 1.00 0.00 N ATOM 1526 CA VAL A 104 -2.945 -6.068 8.066 1.00 0.00 C ATOM 1527 C VAL A 104 -2.570 -7.531 7.869 1.00 0.00 C ATOM 1528 O VAL A 104 -2.559 -8.033 6.745 1.00 0.00 O ATOM 1529 CB VAL A 104 -4.457 -5.894 7.833 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -5.248 -6.831 8.733 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -4.856 -4.446 8.078 1.00 0.00 C ATOM 0 H VAL A 104 -2.650 -5.023 6.273 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.697 -5.778 9.087 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.686 -6.149 6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.314 -6.693 8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.974 -7.863 8.515 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.024 -6.609 9.776 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.927 -4.330 7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.617 -4.172 9.105 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.310 -3.797 7.393 1.00 0.00 H new ATOM 1541 N HIS A 105 -2.262 -8.212 8.968 1.00 0.00 N ATOM 1542 CA HIS A 105 -1.952 -9.635 8.927 1.00 0.00 C ATOM 1543 C HIS A 105 -3.222 -10.475 8.902 1.00 0.00 C ATOM 1544 O HIS A 105 -3.357 -11.391 8.090 1.00 0.00 O ATOM 1545 CB HIS A 105 -1.090 -10.037 10.128 1.00 0.00 C ATOM 1546 CG HIS A 105 0.217 -9.311 10.202 1.00 0.00 C ATOM 1547 ND1 HIS A 105 1.058 -9.402 11.290 1.00 0.00 N ATOM 1548 CD2 HIS A 105 0.826 -8.481 9.323 1.00 0.00 C ATOM 1549 CE1 HIS A 105 2.131 -8.659 11.076 1.00 0.00 C ATOM 1550 NE2 HIS A 105 2.014 -8.091 9.890 1.00 0.00 N ATOM 0 H HIS A 105 -2.221 -7.799 9.900 1.00 0.00 H new ATOM 0 HA HIS A 105 -1.394 -9.823 8.010 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -1.651 -9.852 11.044 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -0.898 -11.109 10.083 1.00 0.00 H new ATOM 0 HD1 HIS A 105 0.881 -9.955 12.128 1.00 0.00 H new ATOM 0 HD2 HIS A 105 0.448 -8.182 8.357 1.00 0.00 H new ATOM 0 HE1 HIS A 105 2.961 -8.538 11.756 1.00 0.00 H new ATOM 1557 N GLU A 106 -4.152 -10.159 9.796 1.00 0.00 N ATOM 1558 CA GLU A 106 -5.408 -10.892 9.887 1.00 0.00 C ATOM 1559 C GLU A 106 -6.587 -9.946 10.081 1.00 0.00 C ATOM 1560 O GLU A 106 -6.415 -8.809 10.521 1.00 0.00 O ATOM 1561 CB GLU A 106 -5.357 -11.900 11.039 1.00 0.00 C ATOM 1562 CG GLU A 106 -4.307 -12.989 10.873 1.00 0.00 C ATOM 1563 CD GLU A 106 -4.290 -13.963 12.019 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -5.049 -13.780 12.941 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -3.515 -14.889 11.973 1.00 0.00 O ATOM 0 H GLU A 106 -4.059 -9.398 10.469 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.548 -11.427 8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.163 -11.363 11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.336 -12.368 11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.495 -13.530 9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.324 -12.528 10.780 1.00 0.00 H new ATOM 1572 N PRO A 107 -7.782 -10.421 9.750 1.00 0.00 N ATOM 1573 CA PRO A 107 -8.991 -9.619 9.893 1.00 0.00 C ATOM 1574 C PRO A 107 -9.055 -8.958 11.263 1.00 0.00 C ATOM 1575 O PRO A 107 -8.980 -9.631 12.292 1.00 0.00 O ATOM 1576 CB PRO A 107 -10.111 -10.649 9.710 1.00 0.00 C ATOM 1577 CG PRO A 107 -9.544 -11.639 8.750 1.00 0.00 C ATOM 1578 CD PRO A 107 -8.096 -11.757 9.145 1.00 0.00 C ATOM 0 HA PRO A 107 -9.050 -8.796 9.181 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -10.378 -11.120 10.656 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.017 -10.187 9.317 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.055 -12.599 8.821 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.648 -11.298 7.720 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.940 -12.566 9.859 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.462 -11.965 8.283 1.00 0.00 H new ATOM 1586 N GLN A 108 -9.194 -7.637 11.272 1.00 0.00 N ATOM 1587 CA GLN A 108 -9.356 -6.890 12.514 1.00 0.00 C ATOM 1588 C GLN A 108 -10.683 -6.144 12.540 1.00 0.00 C ATOM 1589 O GLN A 108 -10.790 -5.031 12.025 1.00 0.00 O ATOM 1590 CB GLN A 108 -8.199 -5.906 12.702 1.00 0.00 C ATOM 1591 CG GLN A 108 -6.823 -6.547 12.661 1.00 0.00 C ATOM 1592 CD GLN A 108 -6.651 -7.618 13.721 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -6.993 -7.415 14.890 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -6.120 -8.768 13.321 1.00 0.00 N ATOM 0 H GLN A 108 -9.198 -7.060 10.431 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.351 -7.606 13.335 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.255 -5.144 11.925 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -8.322 -5.397 13.658 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.659 -6.985 11.676 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.063 -5.778 12.799 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -5.851 -8.894 12.345 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -5.981 -9.526 13.990 1.00 0.00 H new ATOM 1603 N PRO A 109 -11.693 -6.764 13.142 1.00 0.00 N ATOM 1604 CA PRO A 109 -13.020 -6.165 13.224 1.00 0.00 C ATOM 1605 C PRO A 109 -12.963 -4.789 13.876 1.00 0.00 C ATOM 1606 O PRO A 109 -13.767 -3.910 13.564 1.00 0.00 O ATOM 1607 CB PRO A 109 -13.798 -7.167 14.083 1.00 0.00 C ATOM 1608 CG PRO A 109 -13.128 -8.472 13.820 1.00 0.00 C ATOM 1609 CD PRO A 109 -11.666 -8.127 13.712 1.00 0.00 C ATOM 0 HA PRO A 109 -13.479 -5.996 12.250 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -13.755 -6.903 15.140 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -14.851 -7.197 13.804 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -13.310 -9.182 14.627 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -13.497 -8.930 12.903 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.172 -8.150 14.683 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -11.132 -8.825 13.067 1.00 0.00 H new ATOM 1617 N HIS A 110 -12.009 -4.609 14.784 1.00 0.00 N ATOM 1618 CA HIS A 110 -11.924 -3.385 15.572 1.00 0.00 C ATOM 1619 C HIS A 110 -11.269 -2.264 14.777 1.00 0.00 C ATOM 1620 O HIS A 110 -11.270 -1.107 15.200 1.00 0.00 O ATOM 1621 CB HIS A 110 -11.137 -3.629 16.865 1.00 0.00 C ATOM 1622 CG HIS A 110 -9.735 -4.100 16.637 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -8.656 -3.242 16.614 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -9.235 -5.340 16.420 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -7.551 -3.934 16.394 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -7.876 -5.208 16.273 1.00 0.00 N ATOM 0 H HIS A 110 -11.284 -5.296 14.992 1.00 0.00 H new ATOM 0 HA HIS A 110 -12.941 -3.084 15.824 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.111 -2.706 17.444 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -11.665 -4.368 17.467 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.799 -6.260 16.372 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -6.553 -3.527 16.325 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -7.223 -5.972 16.098 1.00 0.00 H new ATOM 1633 N LEU A 111 -10.710 -2.611 13.622 1.00 0.00 N ATOM 1634 CA LEU A 111 -10.154 -1.618 12.711 1.00 0.00 C ATOM 1635 C LEU A 111 -11.108 -1.332 11.559 1.00 0.00 C ATOM 1636 O LEU A 111 -11.026 -0.285 10.917 1.00 0.00 O ATOM 1637 CB LEU A 111 -8.806 -2.101 12.160 1.00 0.00 C ATOM 1638 CG LEU A 111 -7.695 -2.300 13.198 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -6.422 -2.759 12.499 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -7.465 -0.998 13.951 1.00 0.00 C ATOM 0 H LEU A 111 -10.630 -3.574 13.295 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.006 -0.695 13.271 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.965 -3.045 11.639 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.459 -1.382 11.418 1.00 0.00 H new ATOM 0 HG LEU A 111 -7.989 -3.066 13.916 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.632 -2.900 13.237 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.609 -3.701 11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.112 -2.005 11.776 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.675 -1.139 14.689 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.170 -0.219 13.248 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.385 -0.702 14.456 1.00 0.00 H new ATOM 1652 N ASP A 112 -12.013 -2.270 11.301 1.00 0.00 N ATOM 1653 CA ASP A 112 -12.996 -2.114 10.235 1.00 0.00 C ATOM 1654 C ASP A 112 -13.869 -0.887 10.466 1.00 0.00 C ATOM 1655 O ASP A 112 -14.741 -0.889 11.335 1.00 0.00 O ATOM 1656 CB ASP A 112 -13.876 -3.362 10.130 1.00 0.00 C ATOM 1657 CG ASP A 112 -13.116 -4.582 9.627 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -11.964 -4.444 9.294 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -13.696 -5.640 9.580 1.00 0.00 O ATOM 0 H ASP A 112 -12.086 -3.147 11.816 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.452 -1.980 9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -14.302 -3.584 11.109 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -14.710 -3.157 9.458 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.630 0.160 9.684 1.00 0.00 N ATOM 1665 CA GLY A 113 -14.439 1.370 9.756 1.00 0.00 C ATOM 1666 C GLY A 113 -13.718 2.469 10.526 1.00 0.00 C ATOM 1667 O GLY A 113 -14.201 3.598 10.614 1.00 0.00 O ATOM 0 H GLY A 113 -12.881 0.195 8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -14.668 1.718 8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -15.390 1.147 10.240 1.00 0.00 H new ATOM 1671 N VAL A 114 -12.559 2.132 11.082 1.00 0.00 N ATOM 1672 CA VAL A 114 -11.768 3.091 11.845 1.00 0.00 C ATOM 1673 C VAL A 114 -10.799 3.845 10.944 1.00 0.00 C ATOM 1674 O VAL A 114 -10.691 5.069 11.019 1.00 0.00 O ATOM 1675 CB VAL A 114 -10.980 2.370 12.955 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -10.079 3.350 13.691 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -11.943 1.694 13.918 1.00 0.00 C ATOM 0 H VAL A 114 -12.146 1.201 11.018 1.00 0.00 H new ATOM 0 HA VAL A 114 -12.456 3.808 12.293 1.00 0.00 H new ATOM 0 HB VAL A 114 -10.348 1.606 12.501 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -9.530 2.824 14.472 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -9.374 3.795 12.988 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -10.686 4.135 14.141 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -11.379 1.186 14.700 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -12.593 2.444 14.368 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -12.548 0.967 13.377 1.00 0.00 H new ATOM 1687 N HIS A 115 -10.093 3.107 10.094 1.00 0.00 N ATOM 1688 CA HIS A 115 -9.152 3.708 9.156 1.00 0.00 C ATOM 1689 C HIS A 115 -9.565 3.438 7.714 1.00 0.00 C ATOM 1690 O HIS A 115 -10.550 2.743 7.460 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.736 3.178 9.395 1.00 0.00 C ATOM 1692 CG HIS A 115 -7.212 3.461 10.769 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.871 4.729 11.188 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -6.970 2.640 11.817 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -6.442 4.676 12.438 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -6.493 3.420 12.841 1.00 0.00 N ATOM 0 H HIS A 115 -10.155 2.091 10.035 1.00 0.00 H new ATOM 0 HA HIS A 115 -9.162 4.785 9.325 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.727 2.101 9.227 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -7.063 3.621 8.661 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.123 1.571 11.843 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -6.107 5.516 13.028 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -6.222 3.083 13.765 1.00 0.00 H new ATOM 1703 N THR A 116 -8.807 3.991 6.774 1.00 0.00 N ATOM 1704 CA THR A 116 -9.141 3.884 5.358 1.00 0.00 C ATOM 1705 C THR A 116 -8.179 2.952 4.633 1.00 0.00 C ATOM 1706 O THR A 116 -6.998 3.260 4.481 1.00 0.00 O ATOM 1707 CB THR A 116 -9.131 5.267 4.681 1.00 0.00 C ATOM 1708 OG1 THR A 116 -10.123 6.107 5.287 1.00 0.00 O ATOM 1709 CG2 THR A 116 -9.423 5.135 3.195 1.00 0.00 C ATOM 0 H THR A 116 -7.956 4.519 6.967 1.00 0.00 H new ATOM 0 HA THR A 116 -10.146 3.467 5.294 1.00 0.00 H new ATOM 0 HB THR A 116 -8.143 5.710 4.809 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.749 6.529 6.088 1.00 0.00 H new ATOM 0 HG21 THR A 116 -9.412 6.122 2.733 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.663 4.508 2.729 1.00 0.00 H new ATOM 0 HG23 THR A 116 -10.404 4.680 3.056 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.694 1.810 4.187 1.00 0.00 N ATOM 1718 CA VAL A 117 -7.929 0.907 3.335 1.00 0.00 C ATOM 1719 C VAL A 117 -7.793 1.464 1.924 1.00 0.00 C ATOM 1720 O VAL A 117 -8.784 1.834 1.295 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.607 -0.474 3.277 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -7.864 -1.392 2.317 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.665 -1.083 4.669 1.00 0.00 C ATOM 0 H VAL A 117 -9.638 1.488 4.402 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.933 0.807 3.767 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.625 -0.352 2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.357 -2.364 2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.867 -0.954 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.835 -1.517 2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.146 -2.060 4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.653 -1.196 5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.237 -0.430 5.328 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.560 1.521 1.432 1.00 0.00 N ATOM 1734 CA PHE A 118 -6.273 2.170 0.158 1.00 0.00 C ATOM 1735 C PHE A 118 -5.466 1.256 -0.756 1.00 0.00 C ATOM 1736 O PHE A 118 -5.369 1.495 -1.960 1.00 0.00 O ATOM 1737 CB PHE A 118 -5.510 3.477 0.382 1.00 0.00 C ATOM 1738 CG PHE A 118 -4.120 3.283 0.916 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -3.889 3.208 2.281 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -3.040 3.173 0.053 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -2.611 3.030 2.773 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.760 2.995 0.543 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.545 2.923 1.903 1.00 0.00 C ATOM 0 H PHE A 118 -5.743 1.125 1.897 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.226 2.388 -0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -5.454 4.021 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -6.072 4.101 1.077 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.718 3.290 2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -3.201 3.227 -1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -2.446 2.975 3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -0.927 2.912 -0.140 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.545 2.783 2.286 1.00 0.00 H new ATOM 1753 N GLY A 119 -4.889 0.209 -0.177 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.102 -0.752 -0.940 1.00 0.00 C ATOM 1755 C GLY A 119 -4.268 -2.162 -0.389 1.00 0.00 C ATOM 1756 O GLY A 119 -4.967 -2.373 0.602 1.00 0.00 O ATOM 0 H GLY A 119 -4.952 0.004 0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.409 -0.729 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.050 -0.469 -0.911 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.620 -3.125 -1.036 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.663 -4.512 -0.589 1.00 0.00 C ATOM 1762 C GLN A 120 -2.474 -5.300 -1.122 1.00 0.00 C ATOM 1763 O GLN A 120 -2.247 -5.360 -2.331 1.00 0.00 O ATOM 1764 CB GLN A 120 -4.970 -5.177 -1.031 1.00 0.00 C ATOM 1765 CG GLN A 120 -5.124 -6.616 -0.568 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.442 -7.227 -1.007 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.298 -6.546 -1.578 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -6.611 -8.518 -0.743 1.00 0.00 N ATOM 0 H GLN A 120 -3.058 -2.970 -1.873 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.613 -4.512 0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -5.808 -4.593 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.029 -5.149 -2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.301 -7.212 -0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -5.053 -6.655 0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -5.876 -9.042 -0.269 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.476 -8.985 -1.015 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.715 -5.904 -0.213 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.587 -6.745 -0.593 1.00 0.00 C ATOM 1779 C VAL A 121 -1.056 -8.009 -1.302 1.00 0.00 C ATOM 1780 O VAL A 121 -1.946 -8.709 -0.820 1.00 0.00 O ATOM 1781 CB VAL A 121 0.234 -7.132 0.652 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.340 -8.108 0.278 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.811 -5.884 1.300 1.00 0.00 C ATOM 0 H VAL A 121 -1.862 -5.826 0.793 1.00 0.00 H new ATOM 0 HA VAL A 121 0.037 -6.172 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.422 -7.625 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.910 -8.371 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.901 -9.009 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.003 -7.644 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.390 -6.165 2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.458 -5.371 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.001 -5.220 1.597 1.00 0.00 H new ATOM 1793 N THR A 122 -0.451 -8.296 -2.449 1.00 0.00 N ATOM 1794 CA THR A 122 -0.824 -9.462 -3.241 1.00 0.00 C ATOM 1795 C THR A 122 0.305 -10.486 -3.279 1.00 0.00 C ATOM 1796 O THR A 122 0.078 -11.665 -3.551 1.00 0.00 O ATOM 1797 CB THR A 122 -1.205 -9.060 -4.677 1.00 0.00 C ATOM 1798 OG1 THR A 122 -0.077 -8.452 -5.321 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.368 -8.079 -4.665 1.00 0.00 C ATOM 0 H THR A 122 0.301 -7.736 -2.852 1.00 0.00 H new ATOM 0 HA THR A 122 -1.692 -9.913 -2.760 1.00 0.00 H new ATOM 0 HB THR A 122 -1.504 -9.955 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.320 -8.198 -6.236 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.624 -7.806 -5.689 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.231 -8.543 -4.187 1.00 0.00 H new ATOM 0 HG23 THR A 122 -2.084 -7.184 -4.111 1.00 0.00 H new ATOM 1807 N SER A 123 1.521 -10.027 -3.004 1.00 0.00 N ATOM 1808 CA SER A 123 2.669 -10.920 -2.891 1.00 0.00 C ATOM 1809 C SER A 123 3.658 -10.416 -1.848 1.00 0.00 C ATOM 1810 O SER A 123 3.912 -9.215 -1.748 1.00 0.00 O ATOM 1811 CB SER A 123 3.360 -11.054 -4.234 1.00 0.00 C ATOM 1812 OG SER A 123 4.471 -11.903 -4.144 1.00 0.00 O ATOM 0 H SER A 123 1.737 -9.041 -2.855 1.00 0.00 H new ATOM 0 HA SER A 123 2.305 -11.897 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.658 -11.444 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.676 -10.071 -4.584 1.00 0.00 H new ATOM 0 HG SER A 123 4.899 -11.975 -5.022 1.00 0.00 H new ATOM 1818 N GLY A 124 4.215 -11.340 -1.073 1.00 0.00 N ATOM 1819 CA GLY A 124 5.109 -10.984 0.022 1.00 0.00 C ATOM 1820 C GLY A 124 4.345 -10.829 1.330 1.00 0.00 C ATOM 1821 O GLY A 124 4.833 -10.209 2.276 1.00 0.00 O ATOM 0 H GLY A 124 4.063 -12.343 -1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.874 -11.752 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.624 -10.053 -0.214 1.00 0.00 H new ATOM 1825 N MET A 125 3.144 -11.395 1.379 1.00 0.00 N ATOM 1826 CA MET A 125 2.371 -11.447 2.614 1.00 0.00 C ATOM 1827 C MET A 125 3.171 -12.092 3.738 1.00 0.00 C ATOM 1828 O MET A 125 3.141 -11.631 4.878 1.00 0.00 O ATOM 1829 CB MET A 125 1.065 -12.205 2.387 1.00 0.00 C ATOM 1830 CG MET A 125 0.100 -12.165 3.564 1.00 0.00 C ATOM 1831 SD MET A 125 -0.703 -10.561 3.751 1.00 0.00 S ATOM 1832 CE MET A 125 0.125 -9.936 5.210 1.00 0.00 C ATOM 0 H MET A 125 2.684 -11.825 0.576 1.00 0.00 H new ATOM 0 HA MET A 125 2.139 -10.424 2.912 1.00 0.00 H new ATOM 0 HB2 MET A 125 0.567 -11.791 1.510 1.00 0.00 H new ATOM 0 HB3 MET A 125 1.298 -13.245 2.159 1.00 0.00 H new ATOM 0 HG2 MET A 125 -0.661 -12.934 3.431 1.00 0.00 H new ATOM 0 HG3 MET A 125 0.640 -12.405 4.480 1.00 0.00 H new ATOM 0 HE1 MET A 125 -0.044 -8.862 5.292 1.00 0.00 H new ATOM 0 HE2 MET A 125 -0.271 -10.435 6.095 1.00 0.00 H new ATOM 0 HE3 MET A 125 1.195 -10.130 5.132 1.00 0.00 H new ATOM 1842 N ASP A 126 3.887 -13.162 3.410 1.00 0.00 N ATOM 1843 CA ASP A 126 4.789 -13.802 4.359 1.00 0.00 C ATOM 1844 C ASP A 126 5.819 -12.815 4.892 1.00 0.00 C ATOM 1845 O ASP A 126 6.020 -12.705 6.102 1.00 0.00 O ATOM 1846 CB ASP A 126 5.501 -14.990 3.707 1.00 0.00 C ATOM 1847 CG ASP A 126 4.574 -16.172 3.458 1.00 0.00 C ATOM 1848 OD1 ASP A 126 3.477 -16.160 3.964 1.00 0.00 O ATOM 1849 OD2 ASP A 126 4.972 -17.076 2.762 1.00 0.00 O ATOM 0 H ASP A 126 3.860 -13.605 2.492 1.00 0.00 H new ATOM 0 HA ASP A 126 4.188 -14.160 5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 126 5.937 -14.671 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 126 6.325 -15.309 4.346 1.00 0.00 H new ATOM 1854 N VAL A 127 6.469 -12.099 3.982 1.00 0.00 N ATOM 1855 CA VAL A 127 7.460 -11.097 4.359 1.00 0.00 C ATOM 1856 C VAL A 127 6.897 -10.129 5.392 1.00 0.00 C ATOM 1857 O VAL A 127 7.518 -9.879 6.425 1.00 0.00 O ATOM 1858 CB VAL A 127 7.923 -10.309 3.120 1.00 0.00 C ATOM 1859 CG1 VAL A 127 8.792 -9.130 3.532 1.00 0.00 C ATOM 1860 CG2 VAL A 127 8.676 -11.230 2.172 1.00 0.00 C ATOM 0 H VAL A 127 6.328 -12.194 2.976 1.00 0.00 H new ATOM 0 HA VAL A 127 8.310 -11.620 4.797 1.00 0.00 H new ATOM 0 HB VAL A 127 7.047 -9.917 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.110 -8.585 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.221 -8.466 4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.669 -9.494 4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.001 -10.666 1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.547 -11.643 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.021 -12.042 1.857 1.00 0.00 H new ATOM 1870 N VAL A 128 5.718 -9.586 5.107 1.00 0.00 N ATOM 1871 CA VAL A 128 5.075 -8.636 6.006 1.00 0.00 C ATOM 1872 C VAL A 128 4.858 -9.244 7.386 1.00 0.00 C ATOM 1873 O VAL A 128 5.171 -8.625 8.403 1.00 0.00 O ATOM 1874 CB VAL A 128 3.719 -8.187 5.428 1.00 0.00 C ATOM 1875 CG1 VAL A 128 2.955 -7.355 6.447 1.00 0.00 C ATOM 1876 CG2 VAL A 128 3.939 -7.400 4.145 1.00 0.00 C ATOM 0 H VAL A 128 5.188 -9.788 4.259 1.00 0.00 H new ATOM 0 HA VAL A 128 5.735 -7.774 6.104 1.00 0.00 H new ATOM 0 HB VAL A 128 3.122 -9.070 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 128 2.000 -7.046 6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.778 -7.950 7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.539 -6.472 6.707 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.977 -7.086 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.548 -6.521 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.450 -8.028 3.416 1.00 0.00 H new ATOM 1886 N ARG A 129 4.322 -10.459 7.415 1.00 0.00 N ATOM 1887 CA ARG A 129 3.994 -11.122 8.671 1.00 0.00 C ATOM 1888 C ARG A 129 5.253 -11.525 9.428 1.00 0.00 C ATOM 1889 O ARG A 129 5.216 -11.754 10.637 1.00 0.00 O ATOM 1890 CB ARG A 129 3.142 -12.357 8.418 1.00 0.00 C ATOM 1891 CG ARG A 129 1.732 -12.071 7.927 1.00 0.00 C ATOM 1892 CD ARG A 129 0.896 -13.299 7.910 1.00 0.00 C ATOM 1893 NE ARG A 129 1.344 -14.246 6.902 1.00 0.00 N ATOM 1894 CZ ARG A 129 0.707 -15.392 6.590 1.00 0.00 C ATOM 1895 NH1 ARG A 129 -0.402 -15.717 7.217 1.00 0.00 N ATOM 1896 NH2 ARG A 129 1.196 -16.188 5.656 1.00 0.00 N ATOM 0 H ARG A 129 4.105 -11.005 6.581 1.00 0.00 H new ATOM 0 HA ARG A 129 3.432 -10.412 9.278 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.647 -12.985 7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 129 3.080 -12.933 9.341 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.267 -11.323 8.570 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.775 -11.646 6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.926 -13.772 8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -0.142 -13.029 7.718 1.00 0.00 H new ATOM 0 HE ARG A 129 2.202 -14.028 6.395 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -0.779 -15.102 7.938 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.885 -16.584 6.982 1.00 0.00 H new ATOM 0 HH21 ARG A 129 2.057 -15.936 5.170 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.713 -17.055 5.421 1.00 0.00 H new ATOM 1910 N THR A 130 6.368 -11.608 8.709 1.00 0.00 N ATOM 1911 CA THR A 130 7.640 -11.989 9.310 1.00 0.00 C ATOM 1912 C THR A 130 8.534 -10.775 9.526 1.00 0.00 C ATOM 1913 O THR A 130 9.743 -10.908 9.709 1.00 0.00 O ATOM 1914 CB THR A 130 8.375 -13.026 8.440 1.00 0.00 C ATOM 1915 OG1 THR A 130 8.566 -12.497 7.121 1.00 0.00 O ATOM 1916 CG2 THR A 130 7.573 -14.315 8.353 1.00 0.00 C ATOM 0 H THR A 130 6.416 -11.416 7.708 1.00 0.00 H new ATOM 0 HA THR A 130 7.418 -12.436 10.279 1.00 0.00 H new ATOM 0 HB THR A 130 9.341 -13.242 8.897 1.00 0.00 H new ATOM 0 HG1 THR A 130 7.715 -12.514 6.635 1.00 0.00 H new ATOM 0 HG21 THR A 130 8.108 -15.035 7.734 1.00 0.00 H new ATOM 0 HG22 THR A 130 7.436 -14.726 9.353 1.00 0.00 H new ATOM 0 HG23 THR A 130 6.599 -14.108 7.909 1.00 0.00 H new ATOM 1924 N MET A 131 7.932 -9.592 9.501 1.00 0.00 N ATOM 1925 CA MET A 131 8.643 -8.362 9.827 1.00 0.00 C ATOM 1926 C MET A 131 9.108 -8.363 11.278 1.00 0.00 C ATOM 1927 O MET A 131 8.584 -9.108 12.107 1.00 0.00 O ATOM 1928 CB MET A 131 7.757 -7.149 9.552 1.00 0.00 C ATOM 1929 CG MET A 131 7.632 -6.781 8.080 1.00 0.00 C ATOM 1930 SD MET A 131 6.592 -5.332 7.812 1.00 0.00 S ATOM 1931 CE MET A 131 6.764 -5.115 6.043 1.00 0.00 C ATOM 0 H MET A 131 6.950 -9.458 9.258 1.00 0.00 H new ATOM 0 HA MET A 131 9.527 -8.304 9.192 1.00 0.00 H new ATOM 0 HB2 MET A 131 6.761 -7.344 9.951 1.00 0.00 H new ATOM 0 HB3 MET A 131 8.156 -6.292 10.095 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.625 -6.592 7.671 1.00 0.00 H new ATOM 0 HG3 MET A 131 7.218 -7.627 7.532 1.00 0.00 H new ATOM 0 HE1 MET A 131 5.788 -4.908 5.605 1.00 0.00 H new ATOM 0 HE2 MET A 131 7.436 -4.281 5.842 1.00 0.00 H new ATOM 0 HE3 MET A 131 7.173 -6.024 5.603 1.00 0.00 H new ATOM 1941 N LYS A 132 10.093 -7.525 11.579 1.00 0.00 N ATOM 1942 CA LYS A 132 10.597 -7.392 12.941 1.00 0.00 C ATOM 1943 C LYS A 132 10.509 -5.950 13.424 1.00 0.00 C ATOM 1944 O LYS A 132 10.411 -5.022 12.620 1.00 0.00 O ATOM 1945 CB LYS A 132 12.041 -7.889 13.028 1.00 0.00 C ATOM 1946 CG LYS A 132 12.210 -9.379 12.760 1.00 0.00 C ATOM 1947 CD LYS A 132 13.671 -9.796 12.865 1.00 0.00 C ATOM 1948 CE LYS A 132 13.842 -11.284 12.598 1.00 0.00 C ATOM 1949 NZ LYS A 132 15.264 -11.709 12.708 1.00 0.00 N ATOM 0 H LYS A 132 10.559 -6.926 10.897 1.00 0.00 H new ATOM 0 HA LYS A 132 9.971 -8.006 13.589 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.648 -7.332 12.314 1.00 0.00 H new ATOM 0 HB3 LYS A 132 12.431 -7.664 14.021 1.00 0.00 H new ATOM 0 HG2 LYS A 132 11.614 -9.949 13.473 1.00 0.00 H new ATOM 0 HG3 LYS A 132 11.832 -9.617 11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 132 14.266 -9.226 12.152 1.00 0.00 H new ATOM 0 HD3 LYS A 132 14.049 -9.557 13.859 1.00 0.00 H new ATOM 0 HE2 LYS A 132 13.238 -11.851 13.306 1.00 0.00 H new ATOM 0 HE3 LYS A 132 13.469 -11.519 11.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 15.337 -12.729 12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 15.837 -11.187 12.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 15.613 -11.509 13.667 1.00 0.00 H new ATOM 1963 N ASN A 133 10.545 -5.768 14.739 1.00 0.00 N ATOM 1964 CA ASN A 133 10.533 -4.434 15.329 1.00 0.00 C ATOM 1965 C ASN A 133 11.796 -3.663 14.970 1.00 0.00 C ATOM 1966 O ASN A 133 12.887 -3.982 15.443 1.00 0.00 O ATOM 1967 CB ASN A 133 10.369 -4.518 16.835 1.00 0.00 C ATOM 1968 CG ASN A 133 10.168 -3.171 17.471 1.00 0.00 C ATOM 1969 OD1 ASN A 133 10.595 -2.146 16.928 1.00 0.00 O ATOM 1970 ND2 ASN A 133 9.525 -3.153 18.611 1.00 0.00 N ATOM 0 H ASN A 133 10.583 -6.528 15.418 1.00 0.00 H new ATOM 0 HA ASN A 133 9.681 -3.893 14.918 1.00 0.00 H new ATOM 0 HB2 ASN A 133 9.517 -5.157 17.069 1.00 0.00 H new ATOM 0 HB3 ASN A 133 11.251 -4.992 17.267 1.00 0.00 H new ATOM 0 HD21 ASN A 133 9.358 -2.267 19.089 1.00 0.00 H new ATOM 0 HD22 ASN A 133 9.191 -4.025 19.022 1.00 0.00 H new ATOM 1977 N GLY A 134 11.642 -2.644 14.130 1.00 0.00 N ATOM 1978 CA GLY A 134 12.774 -1.843 13.680 1.00 0.00 C ATOM 1979 C GLY A 134 13.180 -2.209 12.259 1.00 0.00 C ATOM 1980 O GLY A 134 14.219 -1.771 11.767 1.00 0.00 O ATOM 0 H GLY A 134 10.742 -2.354 13.747 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.515 -0.785 13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 134 13.619 -1.993 14.352 1.00 0.00 H new ATOM 1984 N ASP A 135 12.352 -3.016 11.602 1.00 0.00 N ATOM 1985 CA ASP A 135 12.580 -3.377 10.209 1.00 0.00 C ATOM 1986 C ASP A 135 12.498 -2.154 9.303 1.00 0.00 C ATOM 1987 O ASP A 135 11.533 -1.391 9.358 1.00 0.00 O ATOM 1988 CB ASP A 135 11.562 -4.425 9.752 1.00 0.00 C ATOM 1989 CG ASP A 135 11.908 -5.039 8.402 1.00 0.00 C ATOM 1990 OD1 ASP A 135 12.898 -4.649 7.831 1.00 0.00 O ATOM 1991 OD2 ASP A 135 11.177 -5.890 7.955 1.00 0.00 O ATOM 0 H ASP A 135 11.517 -3.432 12.014 1.00 0.00 H new ATOM 0 HA ASP A 135 13.584 -3.796 10.137 1.00 0.00 H new ATOM 0 HB2 ASP A 135 11.501 -5.215 10.500 1.00 0.00 H new ATOM 0 HB3 ASP A 135 10.576 -3.965 9.694 1.00 0.00 H new ATOM 1996 N VAL A 136 13.517 -1.974 8.469 1.00 0.00 N ATOM 1997 CA VAL A 136 13.657 -0.753 7.684 1.00 0.00 C ATOM 1998 C VAL A 136 13.465 -1.028 6.198 1.00 0.00 C ATOM 1999 O VAL A 136 13.930 -2.044 5.681 1.00 0.00 O ATOM 2000 CB VAL A 136 15.046 -0.126 7.912 1.00 0.00 C ATOM 2001 CG1 VAL A 136 15.183 1.167 7.122 1.00 0.00 C ATOM 2002 CG2 VAL A 136 15.264 0.123 9.396 1.00 0.00 C ATOM 0 H VAL A 136 14.258 -2.659 8.319 1.00 0.00 H new ATOM 0 HA VAL A 136 12.884 -0.058 8.013 1.00 0.00 H new ATOM 0 HB VAL A 136 15.809 -0.819 7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 136 16.170 1.596 7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.059 0.959 6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.419 1.874 7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 136 16.248 0.566 9.550 1.00 0.00 H new ATOM 0 HG22 VAL A 136 14.497 0.803 9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 136 15.203 -0.822 9.936 1.00 0.00 H new ATOM 2012 N MET A 137 12.778 -0.118 5.517 1.00 0.00 N ATOM 2013 CA MET A 137 12.607 -0.211 4.072 1.00 0.00 C ATOM 2014 C MET A 137 13.898 0.135 3.340 1.00 0.00 C ATOM 2015 O MET A 137 14.745 0.857 3.866 1.00 0.00 O ATOM 2016 CB MET A 137 11.474 0.705 3.614 1.00 0.00 C ATOM 2017 CG MET A 137 10.098 0.313 4.134 1.00 0.00 C ATOM 2018 SD MET A 137 8.788 1.388 3.516 1.00 0.00 S ATOM 2019 CE MET A 137 7.383 0.774 4.439 1.00 0.00 C ATOM 0 H MET A 137 12.330 0.693 5.943 1.00 0.00 H new ATOM 0 HA MET A 137 12.349 -1.242 3.828 1.00 0.00 H new ATOM 0 HB2 MET A 137 11.694 1.723 3.936 1.00 0.00 H new ATOM 0 HB3 MET A 137 11.448 0.714 2.524 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.885 -0.716 3.845 1.00 0.00 H new ATOM 0 HG3 MET A 137 10.104 0.343 5.224 1.00 0.00 H new ATOM 0 HE1 MET A 137 6.486 1.317 4.140 1.00 0.00 H new ATOM 0 HE2 MET A 137 7.249 -0.288 4.235 1.00 0.00 H new ATOM 0 HE3 MET A 137 7.557 0.919 5.505 1.00 0.00 H new ATOM 2029 N LYS A 138 14.042 -0.386 2.126 1.00 0.00 N ATOM 2030 CA LYS A 138 15.243 -0.155 1.332 1.00 0.00 C ATOM 2031 C LYS A 138 14.930 0.665 0.087 1.00 0.00 C ATOM 2032 O LYS A 138 15.613 1.646 -0.208 1.00 0.00 O ATOM 2033 CB LYS A 138 15.886 -1.485 0.936 1.00 0.00 C ATOM 2034 CG LYS A 138 17.182 -1.348 0.148 1.00 0.00 C ATOM 2035 CD LYS A 138 17.774 -2.708 -0.185 1.00 0.00 C ATOM 2036 CE LYS A 138 19.072 -2.573 -0.966 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.686 -3.895 -1.262 1.00 0.00 N ATOM 0 H LYS A 138 13.342 -0.971 1.671 1.00 0.00 H new ATOM 0 HA LYS A 138 15.945 0.410 1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 138 16.084 -2.062 1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 138 15.173 -2.057 0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.993 -0.796 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.901 -0.768 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 138 17.958 -3.262 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 138 17.056 -3.286 -0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.879 -2.046 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.776 -1.966 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.568 -3.757 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 19.894 -4.389 -0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 19.026 -4.466 -1.828 1.00 0.00 H new ATOM 2051 N GLU A 139 13.894 0.258 -0.639 1.00 0.00 N ATOM 2052 CA GLU A 139 13.529 0.917 -1.887 1.00 0.00 C ATOM 2053 C GLU A 139 12.029 0.825 -2.139 1.00 0.00 C ATOM 2054 O GLU A 139 11.482 -0.266 -2.299 1.00 0.00 O ATOM 2055 CB GLU A 139 14.292 0.299 -3.061 1.00 0.00 C ATOM 2056 CG GLU A 139 13.976 0.923 -4.413 1.00 0.00 C ATOM 2057 CD GLU A 139 14.836 0.381 -5.521 1.00 0.00 C ATOM 2058 OE1 GLU A 139 15.742 -0.364 -5.235 1.00 0.00 O ATOM 2059 OE2 GLU A 139 14.587 0.713 -6.656 1.00 0.00 O ATOM 0 H GLU A 139 13.292 -0.525 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 139 13.799 1.969 -1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 139 15.362 0.391 -2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 139 14.067 -0.767 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 139 12.928 0.746 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 139 14.111 2.003 -4.350 1.00 0.00 H new ATOM 2066 N VAL A 140 11.368 1.977 -2.175 1.00 0.00 N ATOM 2067 CA VAL A 140 9.921 2.025 -2.346 1.00 0.00 C ATOM 2068 C VAL A 140 9.540 2.820 -3.588 1.00 0.00 C ATOM 2069 O VAL A 140 9.902 3.990 -3.724 1.00 0.00 O ATOM 2070 CB VAL A 140 9.257 2.660 -1.109 1.00 0.00 C ATOM 2071 CG1 VAL A 140 7.748 2.729 -1.292 1.00 0.00 C ATOM 2072 CG2 VAL A 140 9.613 1.863 0.136 1.00 0.00 C ATOM 0 H VAL A 140 11.812 2.891 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 140 9.567 1.001 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 140 9.630 3.677 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.295 3.180 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 140 7.515 3.334 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.352 1.723 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 140 9.140 2.318 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 140 9.260 0.838 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 140 10.695 1.861 0.270 1.00 0.00 H new ATOM 2082 N LYS A 141 8.806 2.180 -4.493 1.00 0.00 N ATOM 2083 CA LYS A 141 8.360 2.832 -5.717 1.00 0.00 C ATOM 2084 C LYS A 141 6.910 2.483 -6.030 1.00 0.00 C ATOM 2085 O LYS A 141 6.474 1.352 -5.813 1.00 0.00 O ATOM 2086 CB LYS A 141 9.260 2.442 -6.891 1.00 0.00 C ATOM 2087 CG LYS A 141 10.676 2.994 -6.808 1.00 0.00 C ATOM 2088 CD LYS A 141 11.476 2.653 -8.056 1.00 0.00 C ATOM 2089 CE LYS A 141 12.877 3.247 -7.996 1.00 0.00 C ATOM 2090 NZ LYS A 141 13.690 2.873 -9.186 1.00 0.00 N ATOM 0 H LYS A 141 8.508 1.209 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 141 8.426 3.909 -5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.310 1.355 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.801 2.790 -7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.640 4.076 -6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.177 2.586 -5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.542 1.570 -8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 141 10.957 3.029 -8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 141 12.808 4.333 -7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 141 13.378 2.904 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 14.636 3.297 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.777 1.838 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.225 3.223 -10.048 1.00 0.00 H new ATOM 2104 N VAL A 142 6.168 3.459 -6.541 1.00 0.00 N ATOM 2105 CA VAL A 142 4.772 3.251 -6.905 1.00 0.00 C ATOM 2106 C VAL A 142 4.523 3.614 -8.363 1.00 0.00 C ATOM 2107 O VAL A 142 5.022 4.625 -8.855 1.00 0.00 O ATOM 2108 CB VAL A 142 3.853 4.096 -6.004 1.00 0.00 C ATOM 2109 CG1 VAL A 142 2.397 3.910 -6.404 1.00 0.00 C ATOM 2110 CG2 VAL A 142 4.065 3.717 -4.547 1.00 0.00 C ATOM 0 H VAL A 142 6.511 4.404 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 142 4.548 2.193 -6.766 1.00 0.00 H new ATOM 0 HB VAL A 142 4.105 5.149 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.762 4.515 -5.757 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.261 4.222 -7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.123 2.860 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.411 4.319 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.832 2.661 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 142 5.104 3.899 -4.271 1.00 0.00 H new ATOM 2120 N PHE A 143 3.748 2.782 -9.050 1.00 0.00 N ATOM 2121 CA PHE A 143 3.524 2.950 -10.481 1.00 0.00 C ATOM 2122 C PHE A 143 2.042 2.869 -10.821 1.00 0.00 C ATOM 2123 O PHE A 143 1.262 2.246 -10.098 1.00 0.00 O ATOM 2124 CB PHE A 143 4.291 1.886 -11.269 1.00 0.00 C ATOM 2125 CG PHE A 143 5.770 1.888 -11.009 1.00 0.00 C ATOM 2126 CD1 PHE A 143 6.612 2.742 -11.704 1.00 0.00 C ATOM 2127 CD2 PHE A 143 6.323 1.034 -10.066 1.00 0.00 C ATOM 2128 CE1 PHE A 143 7.972 2.744 -11.467 1.00 0.00 C ATOM 2129 CE2 PHE A 143 7.685 1.035 -9.824 1.00 0.00 C ATOM 2130 CZ PHE A 143 8.508 1.889 -10.525 1.00 0.00 C ATOM 0 H PHE A 143 3.264 1.984 -8.639 1.00 0.00 H new ATOM 0 HA PHE A 143 3.889 3.939 -10.759 1.00 0.00 H new ATOM 0 HB2 PHE A 143 3.889 0.904 -11.021 1.00 0.00 H new ATOM 0 HB3 PHE A 143 4.119 2.041 -12.334 1.00 0.00 H new ATOM 0 HD1 PHE A 143 6.199 3.415 -12.441 1.00 0.00 H new ATOM 0 HD2 PHE A 143 5.683 0.361 -9.515 1.00 0.00 H new ATOM 0 HE1 PHE A 143 8.616 3.414 -12.018 1.00 0.00 H new ATOM 0 HE2 PHE A 143 8.103 0.367 -9.086 1.00 0.00 H new ATOM 0 HZ PHE A 143 9.572 1.890 -10.338 1.00 0.00 H new ATOM 2140 N ASP A 144 1.656 3.502 -11.924 1.00 0.00 N ATOM 2141 CA ASP A 144 0.281 3.437 -12.403 1.00 0.00 C ATOM 2142 C ASP A 144 0.050 2.190 -13.247 1.00 0.00 C ATOM 2143 O ASP A 144 0.063 2.248 -14.475 1.00 0.00 O ATOM 2144 CB ASP A 144 -0.059 4.685 -13.224 1.00 0.00 C ATOM 2145 CG ASP A 144 -1.526 4.746 -13.627 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -2.263 3.865 -13.251 1.00 0.00 O ATOM 2147 OD2 ASP A 144 -1.896 5.671 -14.309 1.00 0.00 O ATOM 0 H ASP A 144 2.277 4.066 -12.503 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.372 3.390 -11.531 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.191 5.574 -12.645 1.00 0.00 H new ATOM 0 HB3 ASP A 144 0.560 4.704 -14.121 1.00 0.00 H new ATOM 2152 N GLU A 145 -0.164 1.062 -12.577 1.00 0.00 N ATOM 2153 CA GLU A 145 -0.341 -0.213 -13.262 1.00 0.00 C ATOM 2154 C GLU A 145 -1.727 -0.790 -13.001 1.00 0.00 C ATOM 2155 O GLU A 145 -1.929 -1.535 -12.043 1.00 0.00 O ATOM 2156 CB GLU A 145 0.729 -1.211 -12.818 1.00 0.00 C ATOM 2157 CG GLU A 145 2.154 -0.799 -13.161 1.00 0.00 C ATOM 2158 CD GLU A 145 3.173 -1.830 -12.763 1.00 0.00 C ATOM 2159 OE1 GLU A 145 2.783 -2.883 -12.320 1.00 0.00 O ATOM 2160 OE2 GLU A 145 4.344 -1.563 -12.902 1.00 0.00 O ATOM 0 H GLU A 145 -0.219 1.005 -11.560 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.239 -0.033 -14.332 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.654 -1.350 -11.740 1.00 0.00 H new ATOM 0 HB3 GLU A 145 0.522 -2.177 -13.279 1.00 0.00 H new ATOM 0 HG2 GLU A 145 2.227 -0.619 -14.234 1.00 0.00 H new ATOM 0 HG3 GLU A 145 2.384 0.143 -12.663 1.00 0.00 H new ATOM 2167 N PRO A 146 -2.680 -0.441 -13.859 1.00 0.00 N ATOM 2168 CA PRO A 146 -4.045 -0.936 -13.731 1.00 0.00 C ATOM 2169 C PRO A 146 -4.161 -2.369 -14.235 1.00 0.00 C ATOM 2170 O PRO A 146 -4.464 -3.093 -13.617 1.00 0.00 O ATOM 2171 CB PRO A 146 -4.847 0.036 -14.603 1.00 0.00 C ATOM 2172 CG PRO A 146 -3.897 0.429 -15.682 1.00 0.00 C ATOM 2173 CD PRO A 146 -2.562 0.515 -14.992 1.00 0.00 C ATOM 2174 OXT PRO A 146 -3.888 -2.628 -15.375 1.00 0.00 O ATOM 0 HA PRO A 146 -4.397 -0.971 -12.700 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -5.739 -0.439 -15.011 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -5.180 0.902 -14.031 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -3.882 -0.307 -16.486 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -4.176 1.383 -16.129 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -1.748 0.241 -15.663 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -2.359 1.527 -14.641 1.00 0.00 H new