USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1042 hydrogens (27 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 50 THR OG1 : rot 150:sc= -3.19! USER MOD Set 1.2: A 98 GLN : amide:sc= -9.89! C(o=-13!,f=-14!) USER MOD Single : A 3 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.2!) USER MOD Single : A 6 SER OG : rot -68:sc= -3.39! USER MOD Single : A 7 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.8) USER MOD Single : A 8 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 11 TYR OH : rot -117:sc= 0.733 USER MOD Single : A 14 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.34) USER MOD Single : A 16 LYS NZ :NH3+ 138:sc= -1.74! (180deg=-5!) USER MOD Single : A 17 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.92) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -164:sc=-0.00829 (180deg=-0.283) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 42 CYS SG : rot 21:sc= -1.24! USER MOD Single : A 47 GLN : amide:sc= -0.119 K(o=-0.12,f=-0.64) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 87:sc= -0.154! USER MOD Single : A 64 GLN : amide:sc= -0.0376 K(o=-0.038,f=-1.7!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.1!) USER MOD Single : A 69 THR OG1 : rot -82:sc= 0.747 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0583 USER MOD Single : A 84 ASN : amide:sc= -0.0797 K(o=-0.08,f=-2.4!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -9.5! C(o=-9.5!,f=-12!) USER MOD Single : A 100 MET CE :methyl 156:sc= -0.226 (180deg=-1.35) USER MOD Single : A 105 GLN : amide:sc= -0.337! K(o=-0.34!,f=-1.9) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN :FLIP amide:sc= -0.0927 F(o=-1.2,f=-0.093) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -2.09! C(o=-2.1!,f=-4.2!) USER MOD Single : A 116 THR OG1 : rot 180:sc=0.000549 USER MOD Single : A 120 HIS : no HD1:sc= -0.0449 K(o=-0.045,f=-0.88) USER MOD Single : A 121 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-3.4!) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 123 HIS : no HE2:sc= -0.0135 K(o=-0.013,f=-0.96) USER MOD Single : A 124 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.0088) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 114.097 13.606 3.671 1.00 0.00 C HETATM 2 O1 MYR A 1 114.221 13.107 4.790 1.00 0.00 O HETATM 3 C2 MYR A 1 112.799 13.936 3.267 1.00 0.00 C HETATM 4 C3 MYR A 1 111.928 12.686 3.069 1.00 0.00 C HETATM 5 C4 MYR A 1 111.244 12.664 1.701 1.00 0.00 C HETATM 6 C5 MYR A 1 109.912 11.905 1.741 1.00 0.00 C HETATM 7 C6 MYR A 1 109.935 10.810 2.816 1.00 0.00 C HETATM 8 C7 MYR A 1 109.499 9.426 2.329 1.00 0.00 C HETATM 9 C8 MYR A 1 108.589 8.657 3.293 1.00 0.00 C HETATM 10 C9 MYR A 1 108.667 7.128 3.161 1.00 0.00 C HETATM 11 C10 MYR A 1 107.901 6.400 4.272 1.00 0.00 C HETATM 12 C11 MYR A 1 107.403 5.010 3.841 1.00 0.00 C HETATM 13 C12 MYR A 1 106.849 4.228 5.033 1.00 0.00 C HETATM 14 C13 MYR A 1 105.464 3.654 4.733 1.00 0.00 C HETATM 15 C14 MYR A 1 105.389 2.165 5.056 1.00 0.00 C HETATM 0 H143 MYR A 1 106.121 1.625 4.456 1.00 0.00 H new HETATM 0 H142 MYR A 1 105.602 2.011 6.114 1.00 0.00 H new HETATM 0 H141 MYR A 1 104.390 1.793 4.830 1.00 0.00 H new HETATM 0 H132 MYR A 1 104.714 4.191 5.314 1.00 0.00 H new HETATM 0 H131 MYR A 1 105.225 3.811 3.681 1.00 0.00 H new HETATM 0 H122 MYR A 1 107.532 3.418 5.287 1.00 0.00 H new HETATM 0 H121 MYR A 1 106.792 4.882 5.903 1.00 0.00 H new HETATM 0 H112 MYR A 1 106.629 5.117 3.081 1.00 0.00 H new HETATM 0 H111 MYR A 1 108.221 4.453 3.385 1.00 0.00 H new HETATM 0 H102 MYR A 1 108.547 6.295 5.144 1.00 0.00 H new HETATM 0 H101 MYR A 1 107.049 7.007 4.578 1.00 0.00 H new HETATM 0 H92 MYR A 1 108.265 6.830 2.193 1.00 0.00 H new HETATM 0 H91 MYR A 1 109.712 6.818 3.182 1.00 0.00 H new HETATM 0 H82 MYR A 1 108.847 8.934 4.315 1.00 0.00 H new HETATM 0 H81 MYR A 1 107.558 8.971 3.128 1.00 0.00 H new HETATM 0 H72 MYR A 1 108.981 9.539 1.377 1.00 0.00 H new HETATM 0 H71 MYR A 1 110.390 8.827 2.138 1.00 0.00 H new HETATM 0 H62 MYR A 1 110.945 10.737 3.219 1.00 0.00 H new HETATM 0 H61 MYR A 1 109.285 11.112 3.637 1.00 0.00 H new HETATM 0 H52 MYR A 1 109.098 12.602 1.944 1.00 0.00 H new HETATM 0 H51 MYR A 1 109.714 11.459 0.766 1.00 0.00 H new HETATM 0 H42 MYR A 1 111.070 13.686 1.366 1.00 0.00 H new HETATM 0 H41 MYR A 1 111.906 12.198 0.971 1.00 0.00 H new HETATM 0 H32 MYR A 1 112.546 11.795 3.178 1.00 0.00 H new HETATM 0 H31 MYR A 1 111.171 12.646 3.852 1.00 0.00 H new HETATM 0 H22 MYR A 1 112.340 14.584 4.013 1.00 0.00 H new HETATM 0 H21 MYR A 1 112.841 14.501 2.336 1.00 0.00 H new ATOM 43 N GLY A 2 114.641 13.082 2.578 1.00 0.00 N ATOM 44 CA GLY A 2 115.431 11.860 2.636 1.00 0.00 C ATOM 45 C GLY A 2 114.700 10.718 1.941 1.00 0.00 C ATOM 46 O GLY A 2 114.081 9.883 2.593 1.00 0.00 O ATOM 0 HA2 GLY A 2 116.399 12.023 2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 2 115.626 11.595 3.675 1.00 0.00 H new ATOM 50 N GLN A 3 114.771 10.693 0.615 1.00 0.00 N ATOM 51 CA GLN A 3 114.098 9.652 -0.152 1.00 0.00 C ATOM 52 C GLN A 3 114.261 8.298 0.522 1.00 0.00 C ATOM 53 O GLN A 3 113.280 7.653 0.889 1.00 0.00 O ATOM 54 CB GLN A 3 114.690 9.586 -1.557 1.00 0.00 C ATOM 55 CG GLN A 3 114.297 10.838 -2.343 1.00 0.00 C ATOM 56 CD GLN A 3 114.947 10.811 -3.723 1.00 0.00 C ATOM 57 OE1 GLN A 3 115.608 9.837 -4.083 1.00 0.00 O ATOM 58 NE2 GLN A 3 114.796 11.832 -4.522 1.00 0.00 N ATOM 0 H GLN A 3 115.282 11.374 0.054 1.00 0.00 H new ATOM 0 HA GLN A 3 113.037 9.895 -0.206 1.00 0.00 H new ATOM 0 HB2 GLN A 3 115.776 9.506 -1.501 1.00 0.00 H new ATOM 0 HB3 GLN A 3 114.331 8.695 -2.072 1.00 0.00 H new ATOM 0 HG2 GLN A 3 113.213 10.889 -2.443 1.00 0.00 H new ATOM 0 HG3 GLN A 3 114.610 11.731 -1.802 1.00 0.00 H new ATOM 0 HE21 GLN A 3 114.248 12.638 -4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 3 115.226 11.824 -5.447 1.00 0.00 H new ATOM 67 N GLU A 4 115.503 7.873 0.687 1.00 0.00 N ATOM 68 CA GLU A 4 115.769 6.595 1.326 1.00 0.00 C ATOM 69 C GLU A 4 115.775 6.737 2.828 1.00 0.00 C ATOM 70 O GLU A 4 114.966 6.131 3.514 1.00 0.00 O ATOM 71 CB GLU A 4 117.114 6.039 0.879 1.00 0.00 C ATOM 72 CG GLU A 4 117.011 5.599 -0.575 1.00 0.00 C ATOM 73 CD GLU A 4 118.359 5.079 -1.061 1.00 0.00 C ATOM 74 OE1 GLU A 4 119.278 5.032 -0.259 1.00 0.00 O ATOM 75 OE2 GLU A 4 118.452 4.728 -2.226 1.00 0.00 O ATOM 0 H GLU A 4 116.333 8.387 0.392 1.00 0.00 H new ATOM 0 HA GLU A 4 114.975 5.909 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 4 117.890 6.797 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 4 117.401 5.196 1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 4 116.255 4.821 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 4 116.690 6.436 -1.195 1.00 0.00 H new ATOM 82 N LEU A 5 116.734 7.481 3.330 1.00 0.00 N ATOM 83 CA LEU A 5 116.866 7.625 4.775 1.00 0.00 C ATOM 84 C LEU A 5 115.511 7.742 5.429 1.00 0.00 C ATOM 85 O LEU A 5 115.130 6.889 6.232 1.00 0.00 O ATOM 86 CB LEU A 5 117.682 8.867 5.108 1.00 0.00 C ATOM 87 CG LEU A 5 117.713 9.144 6.634 1.00 0.00 C ATOM 88 CD1 LEU A 5 116.438 9.847 7.166 1.00 0.00 C ATOM 89 CD2 LEU A 5 117.971 7.845 7.418 1.00 0.00 C ATOM 0 H LEU A 5 117.425 7.990 2.778 1.00 0.00 H new ATOM 0 HA LEU A 5 117.372 6.737 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 5 118.701 8.742 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 5 117.260 9.729 4.591 1.00 0.00 H new ATOM 0 HG LEU A 5 118.537 9.839 6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 5 116.532 10.008 8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 5 116.316 10.807 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 5 115.568 9.221 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 5 117.989 8.062 8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 5 117.177 7.129 7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 5 118.930 7.423 7.117 1.00 0.00 H new ATOM 101 N SER A 6 114.801 8.820 5.135 1.00 0.00 N ATOM 102 CA SER A 6 113.521 9.046 5.763 1.00 0.00 C ATOM 103 C SER A 6 112.711 7.768 5.805 1.00 0.00 C ATOM 104 O SER A 6 112.108 7.433 6.824 1.00 0.00 O ATOM 105 CB SER A 6 112.750 10.092 4.978 1.00 0.00 C ATOM 106 OG SER A 6 112.186 9.458 3.844 1.00 0.00 O ATOM 0 H SER A 6 115.090 9.541 4.473 1.00 0.00 H new ATOM 0 HA SER A 6 113.693 9.390 6.783 1.00 0.00 H new ATOM 0 HB2 SER A 6 111.968 10.533 5.596 1.00 0.00 H new ATOM 0 HB3 SER A 6 113.411 10.903 4.672 1.00 0.00 H new ATOM 0 HG SER A 6 112.901 9.192 3.229 1.00 0.00 H new ATOM 112 N GLN A 7 112.703 7.055 4.689 1.00 0.00 N ATOM 113 CA GLN A 7 111.964 5.809 4.607 1.00 0.00 C ATOM 114 C GLN A 7 112.283 4.933 5.808 1.00 0.00 C ATOM 115 O GLN A 7 111.404 4.607 6.580 1.00 0.00 O ATOM 116 CB GLN A 7 112.340 5.053 3.335 1.00 0.00 C ATOM 117 CG GLN A 7 111.329 3.942 3.077 1.00 0.00 C ATOM 118 CD GLN A 7 111.709 3.197 1.805 1.00 0.00 C ATOM 119 OE1 GLN A 7 112.238 3.792 0.867 1.00 0.00 O ATOM 120 NE2 GLN A 7 111.464 1.918 1.716 1.00 0.00 N ATOM 0 H GLN A 7 113.196 7.317 3.835 1.00 0.00 H new ATOM 0 HA GLN A 7 110.900 6.043 4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 7 112.365 5.738 2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 7 113.340 4.631 3.434 1.00 0.00 H new ATOM 0 HG2 GLN A 7 111.306 3.253 3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 7 110.328 4.362 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 7 111.025 1.427 2.495 1.00 0.00 H new ATOM 0 HE22 GLN A 7 111.711 1.409 0.867 1.00 0.00 H new ATOM 129 N HIS A 8 113.549 4.561 5.962 1.00 0.00 N ATOM 130 CA HIS A 8 113.952 3.708 7.078 1.00 0.00 C ATOM 131 C HIS A 8 113.476 4.274 8.410 1.00 0.00 C ATOM 132 O HIS A 8 113.025 3.535 9.279 1.00 0.00 O ATOM 133 CB HIS A 8 115.475 3.579 7.103 1.00 0.00 C ATOM 134 CG HIS A 8 115.922 2.740 5.934 1.00 0.00 C ATOM 135 ND1 HIS A 8 117.261 2.476 5.687 1.00 0.00 N ATOM 136 CD2 HIS A 8 115.225 2.111 4.932 1.00 0.00 C ATOM 137 CE1 HIS A 8 117.326 1.718 4.577 1.00 0.00 C ATOM 138 NE2 HIS A 8 116.114 1.467 4.076 1.00 0.00 N ATOM 0 H HIS A 8 114.308 4.832 5.337 1.00 0.00 H new ATOM 0 HA HIS A 8 113.493 2.729 6.935 1.00 0.00 H new ATOM 0 HB2 HIS A 8 115.936 4.566 7.055 1.00 0.00 H new ATOM 0 HB3 HIS A 8 115.798 3.122 8.038 1.00 0.00 H new ATOM 0 HD2 HIS A 8 114.150 2.115 4.824 1.00 0.00 H new ATOM 0 HE1 HIS A 8 118.247 1.356 4.144 1.00 0.00 H new ATOM 0 HE2 HIS A 8 115.888 0.921 3.245 1.00 0.00 H new ATOM 147 N GLU A 9 113.591 5.579 8.566 1.00 0.00 N ATOM 148 CA GLU A 9 113.183 6.222 9.811 1.00 0.00 C ATOM 149 C GLU A 9 111.677 6.113 10.044 1.00 0.00 C ATOM 150 O GLU A 9 111.235 5.526 11.031 1.00 0.00 O ATOM 151 CB GLU A 9 113.578 7.699 9.770 1.00 0.00 C ATOM 152 CG GLU A 9 113.229 8.377 11.100 1.00 0.00 C ATOM 153 CD GLU A 9 113.640 9.846 11.065 1.00 0.00 C ATOM 154 OE1 GLU A 9 113.671 10.452 12.123 1.00 0.00 O ATOM 155 OE2 GLU A 9 113.903 10.345 9.983 1.00 0.00 O ATOM 0 H GLU A 9 113.959 6.214 7.857 1.00 0.00 H new ATOM 0 HA GLU A 9 113.688 5.711 10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 9 114.646 7.792 9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 9 113.060 8.199 8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 9 112.159 8.296 11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 9 113.737 7.869 11.920 1.00 0.00 H new ATOM 162 N ARG A 10 110.897 6.706 9.150 1.00 0.00 N ATOM 163 CA ARG A 10 109.445 6.689 9.295 1.00 0.00 C ATOM 164 C ARG A 10 108.903 5.278 9.127 1.00 0.00 C ATOM 165 O ARG A 10 108.079 4.833 9.903 1.00 0.00 O ATOM 166 CB ARG A 10 108.807 7.597 8.249 1.00 0.00 C ATOM 167 CG ARG A 10 109.185 9.050 8.541 1.00 0.00 C ATOM 168 CD ARG A 10 108.596 9.960 7.463 1.00 0.00 C ATOM 169 NE ARG A 10 109.016 11.338 7.686 1.00 0.00 N ATOM 170 CZ ARG A 10 108.393 12.115 8.566 1.00 0.00 C ATOM 171 NH1 ARG A 10 108.784 13.348 8.741 1.00 0.00 N ATOM 172 NH2 ARG A 10 107.390 11.644 9.255 1.00 0.00 N ATOM 0 H ARG A 10 111.239 7.200 8.325 1.00 0.00 H new ATOM 0 HA ARG A 10 109.199 7.047 10.295 1.00 0.00 H new ATOM 0 HB2 ARG A 10 109.145 7.315 7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 10 107.723 7.481 8.263 1.00 0.00 H new ATOM 0 HG2 ARG A 10 108.812 9.343 9.522 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.270 9.156 8.568 1.00 0.00 H new ATOM 0 HD2 ARG A 10 108.922 9.627 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 10 107.508 9.896 7.477 1.00 0.00 H new ATOM 0 HE ARG A 10 109.803 11.713 7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 10 109.568 13.716 8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 10 108.305 13.944 9.417 1.00 0.00 H new ATOM 0 HH21 ARG A 10 107.085 10.680 9.118 1.00 0.00 H new ATOM 0 HH22 ARG A 10 106.911 12.239 9.931 1.00 0.00 H new ATOM 186 N TYR A 11 109.371 4.582 8.104 1.00 0.00 N ATOM 187 CA TYR A 11 108.910 3.222 7.846 1.00 0.00 C ATOM 188 C TYR A 11 108.986 2.387 9.115 1.00 0.00 C ATOM 189 O TYR A 11 107.998 1.813 9.556 1.00 0.00 O ATOM 190 CB TYR A 11 109.788 2.565 6.777 1.00 0.00 C ATOM 191 CG TYR A 11 109.315 1.161 6.508 1.00 0.00 C ATOM 192 CD1 TYR A 11 108.442 0.903 5.444 1.00 0.00 C ATOM 193 CD2 TYR A 11 109.743 0.113 7.332 1.00 0.00 C ATOM 194 CE1 TYR A 11 107.998 -0.403 5.204 1.00 0.00 C ATOM 195 CE2 TYR A 11 109.299 -1.192 7.092 1.00 0.00 C ATOM 196 CZ TYR A 11 108.426 -1.450 6.029 1.00 0.00 C ATOM 197 OH TYR A 11 107.989 -2.737 5.793 1.00 0.00 O ATOM 0 H TYR A 11 110.064 4.930 7.442 1.00 0.00 H new ATOM 0 HA TYR A 11 107.877 3.272 7.502 1.00 0.00 H new ATOM 0 HB2 TYR A 11 109.755 3.150 5.858 1.00 0.00 H new ATOM 0 HB3 TYR A 11 110.827 2.550 7.108 1.00 0.00 H new ATOM 0 HD1 TYR A 11 108.111 1.711 4.809 1.00 0.00 H new ATOM 0 HD2 TYR A 11 110.416 0.312 8.153 1.00 0.00 H new ATOM 0 HE1 TYR A 11 107.326 -0.603 4.383 1.00 0.00 H new ATOM 0 HE2 TYR A 11 109.630 -2.000 7.727 1.00 0.00 H new ATOM 0 HH TYR A 11 107.467 -3.051 6.561 1.00 0.00 H new ATOM 207 N VAL A 12 110.161 2.315 9.705 1.00 0.00 N ATOM 208 CA VAL A 12 110.317 1.521 10.915 1.00 0.00 C ATOM 209 C VAL A 12 109.431 2.019 12.047 1.00 0.00 C ATOM 210 O VAL A 12 108.582 1.286 12.536 1.00 0.00 O ATOM 211 CB VAL A 12 111.771 1.563 11.373 1.00 0.00 C ATOM 212 CG1 VAL A 12 111.856 1.210 12.854 1.00 0.00 C ATOM 213 CG2 VAL A 12 112.564 0.521 10.605 1.00 0.00 C ATOM 0 H VAL A 12 111.007 2.783 9.379 1.00 0.00 H new ATOM 0 HA VAL A 12 110.018 0.501 10.674 1.00 0.00 H new ATOM 0 HB VAL A 12 112.168 2.563 11.198 1.00 0.00 H new ATOM 0 HG11 VAL A 12 112.897 1.241 13.176 1.00 0.00 H new ATOM 0 HG12 VAL A 12 111.275 1.928 13.433 1.00 0.00 H new ATOM 0 HG13 VAL A 12 111.457 0.208 13.013 1.00 0.00 H new ATOM 0 HG21 VAL A 12 113.605 0.545 10.927 1.00 0.00 H new ATOM 0 HG22 VAL A 12 112.148 -0.468 10.797 1.00 0.00 H new ATOM 0 HG23 VAL A 12 112.510 0.736 9.538 1.00 0.00 H new ATOM 223 N GLU A 13 109.636 3.251 12.478 1.00 0.00 N ATOM 224 CA GLU A 13 108.858 3.788 13.584 1.00 0.00 C ATOM 225 C GLU A 13 107.365 3.760 13.295 1.00 0.00 C ATOM 226 O GLU A 13 106.572 3.342 14.131 1.00 0.00 O ATOM 227 CB GLU A 13 109.286 5.229 13.839 1.00 0.00 C ATOM 228 CG GLU A 13 110.780 5.270 14.165 1.00 0.00 C ATOM 229 CD GLU A 13 111.058 4.530 15.470 1.00 0.00 C ATOM 230 OE1 GLU A 13 110.134 4.380 16.252 1.00 0.00 O ATOM 231 OE2 GLU A 13 112.188 4.115 15.660 1.00 0.00 O ATOM 0 H GLU A 13 110.325 3.893 12.086 1.00 0.00 H new ATOM 0 HA GLU A 13 109.044 3.165 14.459 1.00 0.00 H new ATOM 0 HB2 GLU A 13 109.078 5.842 12.962 1.00 0.00 H new ATOM 0 HB3 GLU A 13 108.712 5.649 14.665 1.00 0.00 H new ATOM 0 HG2 GLU A 13 111.349 4.816 13.353 1.00 0.00 H new ATOM 0 HG3 GLU A 13 111.113 6.305 14.248 1.00 0.00 H new ATOM 238 N GLN A 14 106.986 4.221 12.119 1.00 0.00 N ATOM 239 CA GLN A 14 105.579 4.264 11.743 1.00 0.00 C ATOM 240 C GLN A 14 105.004 2.866 11.556 1.00 0.00 C ATOM 241 O GLN A 14 104.242 2.394 12.387 1.00 0.00 O ATOM 242 CB GLN A 14 105.413 5.053 10.441 1.00 0.00 C ATOM 243 CG GLN A 14 103.921 5.286 10.154 1.00 0.00 C ATOM 244 CD GLN A 14 103.324 6.204 11.214 1.00 0.00 C ATOM 245 OE1 GLN A 14 103.858 7.285 11.466 1.00 0.00 O ATOM 246 NE2 GLN A 14 102.243 5.844 11.852 1.00 0.00 N ATOM 0 H GLN A 14 107.627 4.571 11.407 1.00 0.00 H new ATOM 0 HA GLN A 14 105.036 4.753 12.552 1.00 0.00 H new ATOM 0 HB2 GLN A 14 105.931 6.009 10.517 1.00 0.00 H new ATOM 0 HB3 GLN A 14 105.870 4.508 9.615 1.00 0.00 H new ATOM 0 HG2 GLN A 14 103.797 5.729 9.166 1.00 0.00 H new ATOM 0 HG3 GLN A 14 103.391 4.334 10.145 1.00 0.00 H new ATOM 0 HE21 GLN A 14 101.802 4.949 11.643 1.00 0.00 H new ATOM 0 HE22 GLN A 14 101.840 6.458 12.560 1.00 0.00 H new ATOM 255 N LEU A 15 105.351 2.243 10.441 1.00 0.00 N ATOM 256 CA LEU A 15 104.821 0.915 10.123 1.00 0.00 C ATOM 257 C LEU A 15 104.728 0.064 11.396 1.00 0.00 C ATOM 258 O LEU A 15 103.683 -0.525 11.690 1.00 0.00 O ATOM 259 CB LEU A 15 105.730 0.222 9.097 1.00 0.00 C ATOM 260 CG LEU A 15 104.921 -0.712 8.188 1.00 0.00 C ATOM 261 CD1 LEU A 15 104.132 -1.697 9.042 1.00 0.00 C ATOM 262 CD2 LEU A 15 103.963 0.107 7.321 1.00 0.00 C ATOM 0 H LEU A 15 105.990 2.625 9.744 1.00 0.00 H new ATOM 0 HA LEU A 15 103.823 1.026 9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 15 106.240 0.972 8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 15 106.501 -0.348 9.615 1.00 0.00 H new ATOM 0 HG LEU A 15 105.603 -1.262 7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 15 103.557 -2.360 8.395 1.00 0.00 H new ATOM 0 HD12 LEU A 15 104.821 -2.287 9.647 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.453 -1.149 9.695 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.392 -0.562 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.280 0.666 7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.534 0.802 6.705 1.00 0.00 H new ATOM 274 N LYS A 16 105.808 0.031 12.165 1.00 0.00 N ATOM 275 CA LYS A 16 105.821 -0.730 13.409 1.00 0.00 C ATOM 276 C LYS A 16 104.789 -0.169 14.383 1.00 0.00 C ATOM 277 O LYS A 16 104.119 -0.918 15.091 1.00 0.00 O ATOM 278 CB LYS A 16 107.216 -0.677 14.042 1.00 0.00 C ATOM 279 CG LYS A 16 108.245 -1.247 13.059 1.00 0.00 C ATOM 280 CD LYS A 16 108.343 -2.759 13.219 1.00 0.00 C ATOM 281 CE LYS A 16 108.676 -3.399 11.881 1.00 0.00 C ATOM 282 NZ LYS A 16 108.792 -4.871 12.067 1.00 0.00 N ATOM 0 H LYS A 16 106.679 0.517 11.953 1.00 0.00 H new ATOM 0 HA LYS A 16 105.569 -1.767 13.187 1.00 0.00 H new ATOM 0 HB2 LYS A 16 107.472 0.351 14.298 1.00 0.00 H new ATOM 0 HB3 LYS A 16 107.228 -1.249 14.970 1.00 0.00 H new ATOM 0 HG2 LYS A 16 107.958 -1.000 12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 16 109.219 -0.791 13.236 1.00 0.00 H new ATOM 0 HD2 LYS A 16 109.111 -3.007 13.952 1.00 0.00 H new ATOM 0 HD3 LYS A 16 107.401 -3.155 13.597 1.00 0.00 H new ATOM 0 HE2 LYS A 16 107.900 -3.171 11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 16 109.610 -2.993 11.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 108.328 -5.359 11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 109.796 -5.139 12.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 108.332 -5.146 12.959 1.00 0.00 H new ATOM 296 N GLN A 17 104.657 1.154 14.410 1.00 0.00 N ATOM 297 CA GLN A 17 103.691 1.787 15.299 1.00 0.00 C ATOM 298 C GLN A 17 102.270 1.510 14.815 1.00 0.00 C ATOM 299 O GLN A 17 101.461 0.925 15.536 1.00 0.00 O ATOM 300 CB GLN A 17 103.939 3.300 15.351 1.00 0.00 C ATOM 301 CG GLN A 17 102.957 3.974 16.311 1.00 0.00 C ATOM 302 CD GLN A 17 103.224 3.496 17.731 1.00 0.00 C ATOM 303 OE1 GLN A 17 104.379 3.332 18.125 1.00 0.00 O ATOM 304 NE2 GLN A 17 102.221 3.271 18.534 1.00 0.00 N ATOM 0 H GLN A 17 105.198 1.800 13.835 1.00 0.00 H new ATOM 0 HA GLN A 17 103.810 1.372 16.300 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.962 3.495 15.672 1.00 0.00 H new ATOM 0 HB3 GLN A 17 103.831 3.726 14.354 1.00 0.00 H new ATOM 0 HG2 GLN A 17 103.063 5.057 16.255 1.00 0.00 H new ATOM 0 HG3 GLN A 17 101.932 3.739 16.024 1.00 0.00 H new ATOM 0 HE21 GLN A 17 101.265 3.407 18.206 1.00 0.00 H new ATOM 0 HE22 GLN A 17 102.393 2.959 19.490 1.00 0.00 H new ATOM 313 N ALA A 18 101.976 1.936 13.592 1.00 0.00 N ATOM 314 CA ALA A 18 100.656 1.736 13.022 1.00 0.00 C ATOM 315 C ALA A 18 100.180 0.316 13.295 1.00 0.00 C ATOM 316 O ALA A 18 98.985 0.040 13.276 1.00 0.00 O ATOM 317 CB ALA A 18 100.690 2.005 11.515 1.00 0.00 C ATOM 0 H ALA A 18 102.634 2.420 12.981 1.00 0.00 H new ATOM 0 HA ALA A 18 99.959 2.434 13.486 1.00 0.00 H new ATOM 0 HB1 ALA A 18 99.696 1.853 11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 18 101.006 3.033 11.336 1.00 0.00 H new ATOM 0 HB3 ALA A 18 101.393 1.321 11.039 1.00 0.00 H new ATOM 323 N LEU A 19 101.125 -0.571 13.574 1.00 0.00 N ATOM 324 CA LEU A 19 100.782 -1.953 13.891 1.00 0.00 C ATOM 325 C LEU A 19 100.442 -2.116 15.372 1.00 0.00 C ATOM 326 O LEU A 19 99.411 -2.682 15.727 1.00 0.00 O ATOM 327 CB LEU A 19 101.946 -2.872 13.541 1.00 0.00 C ATOM 328 CG LEU A 19 101.851 -3.279 12.072 1.00 0.00 C ATOM 329 CD1 LEU A 19 103.243 -3.638 11.552 1.00 0.00 C ATOM 330 CD2 LEU A 19 100.939 -4.506 11.940 1.00 0.00 C ATOM 0 H LEU A 19 102.124 -0.364 13.588 1.00 0.00 H new ATOM 0 HA LEU A 19 99.905 -2.221 13.302 1.00 0.00 H new ATOM 0 HB2 LEU A 19 102.892 -2.365 13.728 1.00 0.00 H new ATOM 0 HB3 LEU A 19 101.928 -3.757 14.176 1.00 0.00 H new ATOM 0 HG LEU A 19 101.443 -2.450 11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 19 103.176 -3.929 10.504 1.00 0.00 H new ATOM 0 HD12 LEU A 19 103.901 -2.774 11.648 1.00 0.00 H new ATOM 0 HD13 LEU A 19 103.646 -4.467 12.133 1.00 0.00 H new ATOM 0 HD21 LEU A 19 100.870 -4.797 10.892 1.00 0.00 H new ATOM 0 HD22 LEU A 19 101.353 -5.331 12.520 1.00 0.00 H new ATOM 0 HD23 LEU A 19 99.945 -4.262 12.315 1.00 0.00 H new ATOM 342 N LYS A 20 101.326 -1.632 16.235 1.00 0.00 N ATOM 343 CA LYS A 20 101.114 -1.755 17.676 1.00 0.00 C ATOM 344 C LYS A 20 99.674 -1.414 18.045 1.00 0.00 C ATOM 345 O LYS A 20 99.065 -2.078 18.886 1.00 0.00 O ATOM 346 CB LYS A 20 102.070 -0.830 18.426 1.00 0.00 C ATOM 347 CG LYS A 20 101.894 -1.019 19.936 1.00 0.00 C ATOM 348 CD LYS A 20 102.908 -0.150 20.680 1.00 0.00 C ATOM 349 CE LYS A 20 102.741 -0.349 22.188 1.00 0.00 C ATOM 350 NZ LYS A 20 103.746 0.479 22.912 1.00 0.00 N ATOM 0 H LYS A 20 102.188 -1.155 15.969 1.00 0.00 H new ATOM 0 HA LYS A 20 101.310 -2.788 17.962 1.00 0.00 H new ATOM 0 HB2 LYS A 20 103.099 -1.046 18.140 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.875 0.208 18.155 1.00 0.00 H new ATOM 0 HG2 LYS A 20 100.880 -0.748 20.232 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.034 -2.067 20.201 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.921 -0.415 20.377 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.762 0.899 20.422 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.733 -0.067 22.494 1.00 0.00 H new ATOM 0 HE3 LYS A 20 102.869 -1.401 22.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 103.633 0.344 23.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 104.704 0.189 22.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 103.604 1.482 22.677 1.00 0.00 H new ATOM 364 N THR A 21 99.138 -0.379 17.419 1.00 0.00 N ATOM 365 CA THR A 21 97.769 0.044 17.695 1.00 0.00 C ATOM 366 C THR A 21 96.789 -1.076 17.361 1.00 0.00 C ATOM 367 O THR A 21 95.731 -1.189 17.976 1.00 0.00 O ATOM 368 CB THR A 21 97.424 1.283 16.867 1.00 0.00 C ATOM 369 OG1 THR A 21 96.016 1.470 16.864 1.00 0.00 O ATOM 370 CG2 THR A 21 97.908 1.084 15.438 1.00 0.00 C ATOM 0 H THR A 21 99.624 0.183 16.720 1.00 0.00 H new ATOM 0 HA THR A 21 97.691 0.283 18.756 1.00 0.00 H new ATOM 0 HB THR A 21 97.908 2.158 17.300 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.793 2.264 16.335 1.00 0.00 H new ATOM 0 HG21 THR A 21 97.664 1.965 14.845 1.00 0.00 H new ATOM 0 HG22 THR A 21 98.988 0.934 15.437 1.00 0.00 H new ATOM 0 HG23 THR A 21 97.420 0.210 15.007 1.00 0.00 H new ATOM 378 N ARG A 22 97.149 -1.903 16.384 1.00 0.00 N ATOM 379 CA ARG A 22 96.284 -3.007 15.987 1.00 0.00 C ATOM 380 C ARG A 22 96.442 -4.195 16.936 1.00 0.00 C ATOM 381 O ARG A 22 95.995 -5.303 16.637 1.00 0.00 O ATOM 382 CB ARG A 22 96.584 -3.446 14.545 1.00 0.00 C ATOM 383 CG ARG A 22 95.838 -2.544 13.551 1.00 0.00 C ATOM 384 CD ARG A 22 95.997 -3.111 12.148 1.00 0.00 C ATOM 385 NE ARG A 22 95.247 -2.298 11.197 1.00 0.00 N ATOM 386 CZ ARG A 22 94.712 -2.830 10.102 1.00 0.00 C ATOM 387 NH1 ARG A 22 94.050 -2.077 9.268 1.00 0.00 N ATOM 388 NH2 ARG A 22 94.849 -4.106 9.864 1.00 0.00 N ATOM 0 H ARG A 22 98.021 -1.831 15.860 1.00 0.00 H new ATOM 0 HA ARG A 22 95.254 -2.654 16.039 1.00 0.00 H new ATOM 0 HB2 ARG A 22 97.657 -3.397 14.358 1.00 0.00 H new ATOM 0 HB3 ARG A 22 96.283 -4.484 14.403 1.00 0.00 H new ATOM 0 HG2 ARG A 22 94.782 -2.486 13.816 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.234 -1.529 13.594 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.051 -3.131 11.871 1.00 0.00 H new ATOM 0 HD3 ARG A 22 95.641 -4.141 12.120 1.00 0.00 H new ATOM 0 HE ARG A 22 95.131 -1.301 11.376 1.00 0.00 H new ATOM 0 HH11 ARG A 22 93.943 -1.080 9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 22 93.640 -2.485 8.428 1.00 0.00 H new ATOM 0 HH21 ARG A 22 95.366 -4.694 10.518 1.00 0.00 H new ATOM 0 HH22 ARG A 22 94.439 -4.515 9.024 1.00 0.00 H new ATOM 402 N GLY A 23 97.071 -3.958 18.084 1.00 0.00 N ATOM 403 CA GLY A 23 97.265 -5.028 19.070 1.00 0.00 C ATOM 404 C GLY A 23 98.533 -5.822 18.779 1.00 0.00 C ATOM 405 O GLY A 23 98.640 -6.989 19.153 1.00 0.00 O ATOM 0 H GLY A 23 97.451 -3.051 18.356 1.00 0.00 H new ATOM 0 HA2 GLY A 23 97.323 -4.598 20.070 1.00 0.00 H new ATOM 0 HA3 GLY A 23 96.404 -5.696 19.060 1.00 0.00 H new ATOM 409 N VAL A 24 99.485 -5.191 18.105 1.00 0.00 N ATOM 410 CA VAL A 24 100.736 -5.858 17.766 1.00 0.00 C ATOM 411 C VAL A 24 101.844 -5.428 18.719 1.00 0.00 C ATOM 412 O VAL A 24 101.671 -4.487 19.493 1.00 0.00 O ATOM 413 CB VAL A 24 101.148 -5.510 16.338 1.00 0.00 C ATOM 414 CG1 VAL A 24 102.341 -6.370 15.904 1.00 0.00 C ATOM 415 CG2 VAL A 24 99.974 -5.754 15.382 1.00 0.00 C ATOM 0 H VAL A 24 99.417 -4.225 17.784 1.00 0.00 H new ATOM 0 HA VAL A 24 100.582 -6.934 17.852 1.00 0.00 H new ATOM 0 HB VAL A 24 101.434 -4.459 16.306 1.00 0.00 H new ATOM 0 HG11 VAL A 24 102.624 -6.111 14.884 1.00 0.00 H new ATOM 0 HG12 VAL A 24 103.183 -6.187 16.572 1.00 0.00 H new ATOM 0 HG13 VAL A 24 102.065 -7.424 15.948 1.00 0.00 H new ATOM 0 HG21 VAL A 24 100.275 -5.504 14.365 1.00 0.00 H new ATOM 0 HG22 VAL A 24 99.681 -6.803 15.426 1.00 0.00 H new ATOM 0 HG23 VAL A 24 99.130 -5.129 15.675 1.00 0.00 H new ATOM 425 N LYS A 25 102.978 -6.122 18.659 1.00 0.00 N ATOM 426 CA LYS A 25 104.105 -5.797 19.521 1.00 0.00 C ATOM 427 C LYS A 25 105.289 -5.302 18.693 1.00 0.00 C ATOM 428 O LYS A 25 105.473 -5.721 17.549 1.00 0.00 O ATOM 429 CB LYS A 25 104.521 -7.029 20.326 1.00 0.00 C ATOM 430 CG LYS A 25 103.422 -7.385 21.327 1.00 0.00 C ATOM 431 CD LYS A 25 103.816 -8.650 22.090 1.00 0.00 C ATOM 432 CE LYS A 25 102.700 -9.026 23.066 1.00 0.00 C ATOM 433 NZ LYS A 25 103.062 -10.286 23.774 1.00 0.00 N ATOM 0 H LYS A 25 103.138 -6.906 18.027 1.00 0.00 H new ATOM 0 HA LYS A 25 103.798 -5.005 20.204 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.702 -7.869 19.656 1.00 0.00 H new ATOM 0 HB3 LYS A 25 105.456 -6.833 20.852 1.00 0.00 H new ATOM 0 HG2 LYS A 25 103.269 -6.561 22.023 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.478 -7.541 20.806 1.00 0.00 H new ATOM 0 HD2 LYS A 25 103.994 -9.468 21.392 1.00 0.00 H new ATOM 0 HD3 LYS A 25 104.747 -8.485 22.632 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.547 -8.223 23.787 1.00 0.00 H new ATOM 0 HE3 LYS A 25 101.761 -9.155 22.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 102.303 -10.542 24.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 103.187 -11.050 23.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 103.949 -10.147 24.299 1.00 0.00 H new ATOM 447 N VAL A 26 106.085 -4.408 19.277 1.00 0.00 N ATOM 448 CA VAL A 26 107.250 -3.859 18.586 1.00 0.00 C ATOM 449 C VAL A 26 108.543 -4.351 19.232 1.00 0.00 C ATOM 450 O VAL A 26 109.094 -3.701 20.122 1.00 0.00 O ATOM 451 CB VAL A 26 107.205 -2.330 18.630 1.00 0.00 C ATOM 452 CG1 VAL A 26 105.921 -1.837 17.964 1.00 0.00 C ATOM 453 CG2 VAL A 26 107.231 -1.863 20.088 1.00 0.00 C ATOM 0 H VAL A 26 105.946 -4.050 20.222 1.00 0.00 H new ATOM 0 HA VAL A 26 107.227 -4.197 17.550 1.00 0.00 H new ATOM 0 HB VAL A 26 108.068 -1.926 18.100 1.00 0.00 H new ATOM 0 HG11 VAL A 26 105.890 -0.748 17.996 1.00 0.00 H new ATOM 0 HG12 VAL A 26 105.898 -2.171 16.927 1.00 0.00 H new ATOM 0 HG13 VAL A 26 105.058 -2.240 18.494 1.00 0.00 H new ATOM 0 HG21 VAL A 26 107.199 -0.774 20.122 1.00 0.00 H new ATOM 0 HG22 VAL A 26 106.367 -2.268 20.615 1.00 0.00 H new ATOM 0 HG23 VAL A 26 108.145 -2.214 20.566 1.00 0.00 H new ATOM 463 N LYS A 27 109.023 -5.501 18.770 1.00 0.00 N ATOM 464 CA LYS A 27 110.255 -6.082 19.297 1.00 0.00 C ATOM 465 C LYS A 27 111.380 -5.995 18.270 1.00 0.00 C ATOM 466 O LYS A 27 111.140 -5.781 17.085 1.00 0.00 O ATOM 467 CB LYS A 27 110.032 -7.546 19.680 1.00 0.00 C ATOM 468 CG LYS A 27 109.407 -8.295 18.502 1.00 0.00 C ATOM 469 CD LYS A 27 109.455 -9.799 18.774 1.00 0.00 C ATOM 470 CE LYS A 27 108.785 -10.548 17.621 1.00 0.00 C ATOM 471 NZ LYS A 27 108.852 -12.014 17.878 1.00 0.00 N ATOM 0 H LYS A 27 108.579 -6.049 18.033 1.00 0.00 H new ATOM 0 HA LYS A 27 110.540 -5.514 20.183 1.00 0.00 H new ATOM 0 HB2 LYS A 27 110.980 -8.008 19.957 1.00 0.00 H new ATOM 0 HB3 LYS A 27 109.380 -7.609 20.551 1.00 0.00 H new ATOM 0 HG2 LYS A 27 108.376 -7.973 18.358 1.00 0.00 H new ATOM 0 HG3 LYS A 27 109.945 -8.063 17.583 1.00 0.00 H new ATOM 0 HD2 LYS A 27 110.489 -10.127 18.883 1.00 0.00 H new ATOM 0 HD3 LYS A 27 108.949 -10.026 19.712 1.00 0.00 H new ATOM 0 HE2 LYS A 27 107.746 -10.232 17.522 1.00 0.00 H new ATOM 0 HE3 LYS A 27 109.282 -10.309 16.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 108.397 -12.525 17.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 109.847 -12.308 17.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 108.359 -12.233 18.767 1.00 0.00 H new ATOM 485 N TYR A 28 112.612 -6.164 18.732 1.00 0.00 N ATOM 486 CA TYR A 28 113.760 -6.113 17.837 1.00 0.00 C ATOM 487 C TYR A 28 113.715 -7.268 16.838 1.00 0.00 C ATOM 488 O TYR A 28 114.078 -7.106 15.673 1.00 0.00 O ATOM 489 CB TYR A 28 115.055 -6.181 18.643 1.00 0.00 C ATOM 490 CG TYR A 28 115.259 -4.876 19.370 1.00 0.00 C ATOM 491 CD1 TYR A 28 114.783 -4.719 20.677 1.00 0.00 C ATOM 492 CD2 TYR A 28 115.928 -3.821 18.737 1.00 0.00 C ATOM 493 CE1 TYR A 28 114.974 -3.506 21.350 1.00 0.00 C ATOM 494 CE2 TYR A 28 116.118 -2.609 19.410 1.00 0.00 C ATOM 495 CZ TYR A 28 115.642 -2.451 20.717 1.00 0.00 C ATOM 496 OH TYR A 28 115.830 -1.257 21.380 1.00 0.00 O ATOM 0 H TYR A 28 112.841 -6.336 19.711 1.00 0.00 H new ATOM 0 HA TYR A 28 113.726 -5.172 17.287 1.00 0.00 H new ATOM 0 HB2 TYR A 28 115.010 -7.004 19.356 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.899 -6.378 17.981 1.00 0.00 H new ATOM 0 HD1 TYR A 28 114.269 -5.533 21.166 1.00 0.00 H new ATOM 0 HD2 TYR A 28 116.297 -3.943 17.729 1.00 0.00 H new ATOM 0 HE1 TYR A 28 114.606 -3.384 22.358 1.00 0.00 H new ATOM 0 HE2 TYR A 28 116.632 -1.795 18.921 1.00 0.00 H new ATOM 0 HH TYR A 28 116.312 -0.632 20.799 1.00 0.00 H new ATOM 506 N ALA A 29 113.276 -8.433 17.309 1.00 0.00 N ATOM 507 CA ALA A 29 113.195 -9.617 16.457 1.00 0.00 C ATOM 508 C ALA A 29 112.306 -9.361 15.242 1.00 0.00 C ATOM 509 O ALA A 29 112.465 -9.997 14.201 1.00 0.00 O ATOM 510 CB ALA A 29 112.649 -10.808 17.256 1.00 0.00 C ATOM 0 H ALA A 29 112.972 -8.582 18.271 1.00 0.00 H new ATOM 0 HA ALA A 29 114.201 -9.847 16.106 1.00 0.00 H new ATOM 0 HB1 ALA A 29 112.593 -11.684 16.610 1.00 0.00 H new ATOM 0 HB2 ALA A 29 113.312 -11.017 18.096 1.00 0.00 H new ATOM 0 HB3 ALA A 29 111.654 -10.569 17.630 1.00 0.00 H new ATOM 516 N ASP A 30 111.375 -8.424 15.384 1.00 0.00 N ATOM 517 CA ASP A 30 110.466 -8.088 14.285 1.00 0.00 C ATOM 518 C ASP A 30 111.196 -7.316 13.196 1.00 0.00 C ATOM 519 O ASP A 30 110.958 -7.527 12.009 1.00 0.00 O ATOM 520 CB ASP A 30 109.276 -7.264 14.802 1.00 0.00 C ATOM 521 CG ASP A 30 108.177 -8.183 15.337 1.00 0.00 C ATOM 522 OD1 ASP A 30 107.465 -7.756 16.233 1.00 0.00 O ATOM 523 OD2 ASP A 30 108.071 -9.299 14.857 1.00 0.00 O ATOM 0 H ASP A 30 111.227 -7.886 16.238 1.00 0.00 H new ATOM 0 HA ASP A 30 110.093 -9.020 13.861 1.00 0.00 H new ATOM 0 HB2 ASP A 30 109.609 -6.589 15.591 1.00 0.00 H new ATOM 0 HB3 ASP A 30 108.880 -6.644 13.998 1.00 0.00 H new ATOM 528 N LEU A 31 112.084 -6.422 13.600 1.00 0.00 N ATOM 529 CA LEU A 31 112.835 -5.630 12.632 1.00 0.00 C ATOM 530 C LEU A 31 113.720 -6.535 11.780 1.00 0.00 C ATOM 531 O LEU A 31 113.838 -6.359 10.580 1.00 0.00 O ATOM 532 CB LEU A 31 113.719 -4.613 13.367 1.00 0.00 C ATOM 533 CG LEU A 31 112.913 -3.381 13.806 1.00 0.00 C ATOM 534 CD1 LEU A 31 112.740 -3.414 15.328 1.00 0.00 C ATOM 535 CD2 LEU A 31 113.675 -2.116 13.411 1.00 0.00 C ATOM 0 H LEU A 31 112.303 -6.226 14.577 1.00 0.00 H new ATOM 0 HA LEU A 31 112.128 -5.108 11.988 1.00 0.00 H new ATOM 0 HB2 LEU A 31 114.169 -5.085 14.240 1.00 0.00 H new ATOM 0 HB3 LEU A 31 114.536 -4.302 12.716 1.00 0.00 H new ATOM 0 HG LEU A 31 111.936 -3.385 13.324 1.00 0.00 H new ATOM 0 HD11 LEU A 31 112.169 -2.543 15.648 1.00 0.00 H new ATOM 0 HD12 LEU A 31 112.208 -4.322 15.614 1.00 0.00 H new ATOM 0 HD13 LEU A 31 113.720 -3.401 15.806 1.00 0.00 H new ATOM 0 HD21 LEU A 31 113.108 -1.238 13.720 1.00 0.00 H new ATOM 0 HD22 LEU A 31 114.649 -2.110 13.901 1.00 0.00 H new ATOM 0 HD23 LEU A 31 113.813 -2.097 12.330 1.00 0.00 H new ATOM 547 N LEU A 32 114.354 -7.502 12.396 1.00 0.00 N ATOM 548 CA LEU A 32 115.230 -8.383 11.641 1.00 0.00 C ATOM 549 C LEU A 32 114.530 -8.925 10.394 1.00 0.00 C ATOM 550 O LEU A 32 115.024 -8.775 9.275 1.00 0.00 O ATOM 551 CB LEU A 32 115.634 -9.554 12.517 1.00 0.00 C ATOM 552 CG LEU A 32 116.199 -9.027 13.842 1.00 0.00 C ATOM 553 CD1 LEU A 32 116.531 -10.203 14.759 1.00 0.00 C ATOM 554 CD2 LEU A 32 117.472 -8.215 13.574 1.00 0.00 C ATOM 0 H LEU A 32 114.288 -7.702 13.394 1.00 0.00 H new ATOM 0 HA LEU A 32 116.104 -7.810 11.331 1.00 0.00 H new ATOM 0 HB2 LEU A 32 114.773 -10.196 12.705 1.00 0.00 H new ATOM 0 HB3 LEU A 32 116.380 -10.163 12.007 1.00 0.00 H new ATOM 0 HG LEU A 32 115.457 -8.389 14.321 1.00 0.00 H new ATOM 0 HD11 LEU A 32 116.933 -9.828 15.700 1.00 0.00 H new ATOM 0 HD12 LEU A 32 115.626 -10.779 14.954 1.00 0.00 H new ATOM 0 HD13 LEU A 32 117.271 -10.842 14.278 1.00 0.00 H new ATOM 0 HD21 LEU A 32 117.871 -7.842 14.517 1.00 0.00 H new ATOM 0 HD22 LEU A 32 118.215 -8.851 13.092 1.00 0.00 H new ATOM 0 HD23 LEU A 32 117.237 -7.374 12.922 1.00 0.00 H new ATOM 566 N LYS A 33 113.392 -9.571 10.598 1.00 0.00 N ATOM 567 CA LYS A 33 112.641 -10.156 9.490 1.00 0.00 C ATOM 568 C LYS A 33 111.931 -9.094 8.670 1.00 0.00 C ATOM 569 O LYS A 33 112.064 -9.062 7.458 1.00 0.00 O ATOM 570 CB LYS A 33 111.608 -11.147 10.021 1.00 0.00 C ATOM 571 CG LYS A 33 110.954 -11.881 8.845 1.00 0.00 C ATOM 572 CD LYS A 33 109.999 -12.949 9.380 1.00 0.00 C ATOM 573 CE LYS A 33 109.370 -13.711 8.212 1.00 0.00 C ATOM 574 NZ LYS A 33 108.462 -12.801 7.456 1.00 0.00 N ATOM 0 H LYS A 33 112.967 -9.705 11.516 1.00 0.00 H new ATOM 0 HA LYS A 33 113.357 -10.668 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 33 112.085 -11.863 10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 33 110.850 -10.622 10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 33 110.412 -11.174 8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 33 111.718 -12.342 8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 33 110.537 -13.639 10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 33 109.220 -12.484 9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 33 110.149 -14.095 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 33 108.813 -14.572 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 107.837 -13.364 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 107.888 -12.250 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 109.028 -12.154 6.870 1.00 0.00 H new ATOM 588 N PHE A 34 111.167 -8.239 9.335 1.00 0.00 N ATOM 589 CA PHE A 34 110.410 -7.187 8.648 1.00 0.00 C ATOM 590 C PHE A 34 111.314 -6.240 7.857 1.00 0.00 C ATOM 591 O PHE A 34 111.004 -5.872 6.718 1.00 0.00 O ATOM 592 CB PHE A 34 109.631 -6.373 9.679 1.00 0.00 C ATOM 593 CG PHE A 34 108.492 -5.661 8.995 1.00 0.00 C ATOM 594 CD1 PHE A 34 108.493 -4.264 8.903 1.00 0.00 C ATOM 595 CD2 PHE A 34 107.434 -6.398 8.449 1.00 0.00 C ATOM 596 CE1 PHE A 34 107.436 -3.603 8.266 1.00 0.00 C ATOM 597 CE2 PHE A 34 106.377 -5.737 7.811 1.00 0.00 C ATOM 598 CZ PHE A 34 106.378 -4.340 7.720 1.00 0.00 C ATOM 0 H PHE A 34 111.051 -8.248 10.348 1.00 0.00 H new ATOM 0 HA PHE A 34 109.738 -7.677 7.943 1.00 0.00 H new ATOM 0 HB2 PHE A 34 109.248 -7.028 10.462 1.00 0.00 H new ATOM 0 HB3 PHE A 34 110.289 -5.650 10.161 1.00 0.00 H new ATOM 0 HD1 PHE A 34 109.310 -3.696 9.324 1.00 0.00 H new ATOM 0 HD2 PHE A 34 107.433 -7.476 8.520 1.00 0.00 H new ATOM 0 HE1 PHE A 34 107.437 -2.525 8.196 1.00 0.00 H new ATOM 0 HE2 PHE A 34 105.561 -6.305 7.389 1.00 0.00 H new ATOM 0 HZ PHE A 34 105.562 -3.831 7.228 1.00 0.00 H new ATOM 608 N PHE A 35 112.448 -5.886 8.445 1.00 0.00 N ATOM 609 CA PHE A 35 113.408 -5.013 7.781 1.00 0.00 C ATOM 610 C PHE A 35 114.035 -5.746 6.577 1.00 0.00 C ATOM 611 O PHE A 35 114.149 -5.188 5.485 1.00 0.00 O ATOM 612 CB PHE A 35 114.504 -4.601 8.767 1.00 0.00 C ATOM 613 CG PHE A 35 115.231 -3.390 8.233 1.00 0.00 C ATOM 614 CD1 PHE A 35 116.078 -3.488 7.121 1.00 0.00 C ATOM 615 CD2 PHE A 35 115.029 -2.150 8.850 1.00 0.00 C ATOM 616 CE1 PHE A 35 116.723 -2.348 6.629 1.00 0.00 C ATOM 617 CE2 PHE A 35 115.674 -1.009 8.358 1.00 0.00 C ATOM 618 CZ PHE A 35 116.521 -1.108 7.247 1.00 0.00 C ATOM 0 H PHE A 35 112.726 -6.189 9.378 1.00 0.00 H new ATOM 0 HA PHE A 35 112.893 -4.120 7.427 1.00 0.00 H new ATOM 0 HB2 PHE A 35 114.067 -4.377 9.740 1.00 0.00 H new ATOM 0 HB3 PHE A 35 115.204 -5.423 8.914 1.00 0.00 H new ATOM 0 HD1 PHE A 35 116.233 -4.444 6.643 1.00 0.00 H new ATOM 0 HD2 PHE A 35 114.375 -2.073 9.706 1.00 0.00 H new ATOM 0 HE1 PHE A 35 117.377 -2.425 5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 35 115.518 -0.053 8.835 1.00 0.00 H new ATOM 0 HZ PHE A 35 117.018 -0.228 6.867 1.00 0.00 H new ATOM 628 N ASP A 36 114.449 -6.997 6.814 1.00 0.00 N ATOM 629 CA ASP A 36 115.079 -7.806 5.761 1.00 0.00 C ATOM 630 C ASP A 36 114.050 -8.240 4.720 1.00 0.00 C ATOM 631 O ASP A 36 114.403 -8.580 3.588 1.00 0.00 O ATOM 632 CB ASP A 36 115.756 -9.048 6.356 1.00 0.00 C ATOM 633 CG ASP A 36 116.983 -8.637 7.164 1.00 0.00 C ATOM 634 OD1 ASP A 36 117.437 -7.520 6.985 1.00 0.00 O ATOM 635 OD2 ASP A 36 117.444 -9.442 7.957 1.00 0.00 O ATOM 0 H ASP A 36 114.361 -7.468 7.715 1.00 0.00 H new ATOM 0 HA ASP A 36 115.834 -7.186 5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 36 115.054 -9.585 6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 36 116.048 -9.731 5.558 1.00 0.00 H new ATOM 640 N PHE A 37 112.780 -8.233 5.114 1.00 0.00 N ATOM 641 CA PHE A 37 111.703 -8.639 4.220 1.00 0.00 C ATOM 642 C PHE A 37 111.578 -7.673 3.049 1.00 0.00 C ATOM 643 O PHE A 37 111.675 -8.075 1.891 1.00 0.00 O ATOM 644 CB PHE A 37 110.375 -8.664 4.984 1.00 0.00 C ATOM 645 CG PHE A 37 109.298 -9.237 4.104 1.00 0.00 C ATOM 646 CD1 PHE A 37 108.403 -8.393 3.438 1.00 0.00 C ATOM 647 CD2 PHE A 37 109.195 -10.625 3.955 1.00 0.00 C ATOM 648 CE1 PHE A 37 107.403 -8.936 2.622 1.00 0.00 C ATOM 649 CE2 PHE A 37 108.196 -11.169 3.138 1.00 0.00 C ATOM 650 CZ PHE A 37 107.300 -10.324 2.472 1.00 0.00 C ATOM 0 H PHE A 37 112.473 -7.951 6.045 1.00 0.00 H new ATOM 0 HA PHE A 37 111.936 -9.633 3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 37 110.476 -9.263 5.889 1.00 0.00 H new ATOM 0 HB3 PHE A 37 110.105 -7.656 5.297 1.00 0.00 H new ATOM 0 HD1 PHE A 37 108.483 -7.322 3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 37 109.886 -11.276 4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 37 106.712 -8.284 2.109 1.00 0.00 H new ATOM 0 HE2 PHE A 37 108.117 -12.240 3.022 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.529 -10.743 1.842 1.00 0.00 H new ATOM 660 N VAL A 38 111.362 -6.399 3.357 1.00 0.00 N ATOM 661 CA VAL A 38 111.225 -5.393 2.302 1.00 0.00 C ATOM 662 C VAL A 38 112.563 -5.124 1.623 1.00 0.00 C ATOM 663 O VAL A 38 112.625 -4.941 0.413 1.00 0.00 O ATOM 664 CB VAL A 38 110.676 -4.087 2.870 1.00 0.00 C ATOM 665 CG1 VAL A 38 109.157 -4.191 3.046 1.00 0.00 C ATOM 666 CG2 VAL A 38 111.323 -3.825 4.224 1.00 0.00 C ATOM 0 H VAL A 38 111.279 -6.040 4.308 1.00 0.00 H new ATOM 0 HA VAL A 38 110.527 -5.787 1.563 1.00 0.00 H new ATOM 0 HB VAL A 38 110.901 -3.270 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 38 108.773 -3.255 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 38 108.691 -4.386 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 38 108.925 -5.006 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 38 110.937 -2.893 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 38 111.093 -4.646 4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 38 112.403 -3.747 4.102 1.00 0.00 H new ATOM 676 N LYS A 39 113.630 -5.098 2.411 1.00 0.00 N ATOM 677 CA LYS A 39 114.962 -4.833 1.870 1.00 0.00 C ATOM 678 C LYS A 39 115.277 -5.790 0.730 1.00 0.00 C ATOM 679 O LYS A 39 115.954 -5.422 -0.229 1.00 0.00 O ATOM 680 CB LYS A 39 116.006 -5.008 2.970 1.00 0.00 C ATOM 681 CG LYS A 39 117.386 -4.603 2.447 1.00 0.00 C ATOM 682 CD LYS A 39 118.422 -4.778 3.557 1.00 0.00 C ATOM 683 CE LYS A 39 119.798 -4.358 3.035 1.00 0.00 C ATOM 684 NZ LYS A 39 120.804 -4.469 4.130 1.00 0.00 N ATOM 0 H LYS A 39 113.603 -5.255 3.418 1.00 0.00 H new ATOM 0 HA LYS A 39 114.984 -3.811 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 39 115.742 -4.399 3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 39 116.024 -6.045 3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 39 117.654 -5.214 1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 39 117.369 -3.566 2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 39 118.149 -4.175 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 39 118.447 -5.817 3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 39 120.088 -4.990 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 39 119.760 -3.334 2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 121.738 -4.183 3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 120.529 -3.848 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 120.847 -5.453 4.463 1.00 0.00 H new ATOM 698 N ASP A 40 114.794 -7.022 0.843 1.00 0.00 N ATOM 699 CA ASP A 40 115.050 -8.019 -0.188 1.00 0.00 C ATOM 700 C ASP A 40 114.925 -7.407 -1.581 1.00 0.00 C ATOM 701 O ASP A 40 115.897 -7.366 -2.336 1.00 0.00 O ATOM 702 CB ASP A 40 114.049 -9.166 -0.052 1.00 0.00 C ATOM 703 CG ASP A 40 114.339 -9.961 1.217 1.00 0.00 C ATOM 704 OD1 ASP A 40 113.464 -10.695 1.645 1.00 0.00 O ATOM 705 OD2 ASP A 40 115.429 -9.819 1.745 1.00 0.00 O ATOM 0 H ASP A 40 114.231 -7.351 1.627 1.00 0.00 H new ATOM 0 HA ASP A 40 116.066 -8.392 -0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 40 113.033 -8.772 -0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 40 114.111 -9.819 -0.923 1.00 0.00 H new ATOM 710 N THR A 41 113.727 -6.929 -1.914 1.00 0.00 N ATOM 711 CA THR A 41 113.488 -6.317 -3.220 1.00 0.00 C ATOM 712 C THR A 41 113.158 -4.832 -3.082 1.00 0.00 C ATOM 713 O THR A 41 112.865 -4.163 -4.075 1.00 0.00 O ATOM 714 CB THR A 41 112.339 -7.040 -3.928 1.00 0.00 C ATOM 715 OG1 THR A 41 111.269 -7.237 -3.014 1.00 0.00 O ATOM 716 CG2 THR A 41 112.832 -8.391 -4.447 1.00 0.00 C ATOM 0 H THR A 41 112.911 -6.953 -1.302 1.00 0.00 H new ATOM 0 HA THR A 41 114.399 -6.409 -3.811 1.00 0.00 H new ATOM 0 HB THR A 41 111.989 -6.438 -4.767 1.00 0.00 H new ATOM 0 HG1 THR A 41 110.533 -7.698 -3.467 1.00 0.00 H new ATOM 0 HG21 THR A 41 112.015 -8.907 -4.951 1.00 0.00 H new ATOM 0 HG22 THR A 41 113.651 -8.234 -5.149 1.00 0.00 H new ATOM 0 HG23 THR A 41 113.182 -8.996 -3.611 1.00 0.00 H new ATOM 724 N CYS A 42 113.184 -4.337 -1.843 1.00 0.00 N ATOM 725 CA CYS A 42 112.857 -2.938 -1.565 1.00 0.00 C ATOM 726 C CYS A 42 111.745 -2.454 -2.487 1.00 0.00 C ATOM 727 O CYS A 42 111.950 -1.553 -3.294 1.00 0.00 O ATOM 728 CB CYS A 42 114.100 -2.067 -1.740 1.00 0.00 C ATOM 729 SG CYS A 42 114.833 -2.390 -3.359 1.00 0.00 S ATOM 0 H CYS A 42 113.428 -4.884 -1.017 1.00 0.00 H new ATOM 0 HA CYS A 42 112.509 -2.861 -0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 42 113.835 -1.013 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 42 114.822 -2.281 -0.952 1.00 0.00 H new ATOM 0 HG CYS A 42 113.937 -2.908 -4.146 1.00 0.00 H new ATOM 735 N PRO A 43 110.580 -3.045 -2.398 1.00 0.00 N ATOM 736 CA PRO A 43 109.416 -2.677 -3.253 1.00 0.00 C ATOM 737 C PRO A 43 108.836 -1.315 -2.885 1.00 0.00 C ATOM 738 O PRO A 43 108.055 -0.737 -3.641 1.00 0.00 O ATOM 739 CB PRO A 43 108.390 -3.801 -3.018 1.00 0.00 C ATOM 740 CG PRO A 43 109.089 -4.839 -2.211 1.00 0.00 C ATOM 741 CD PRO A 43 110.218 -4.127 -1.472 1.00 0.00 C ATOM 0 HA PRO A 43 109.703 -2.586 -4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 43 107.513 -3.424 -2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 43 108.041 -4.214 -3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 43 108.403 -5.311 -1.508 1.00 0.00 H new ATOM 0 HG3 PRO A 43 109.482 -5.629 -2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 43 109.890 -3.741 -0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 43 111.059 -4.793 -1.279 1.00 0.00 H new ATOM 749 N TRP A 44 109.210 -0.816 -1.714 1.00 0.00 N ATOM 750 CA TRP A 44 108.710 0.471 -1.241 1.00 0.00 C ATOM 751 C TRP A 44 109.289 1.625 -2.059 1.00 0.00 C ATOM 752 O TRP A 44 109.342 2.768 -1.602 1.00 0.00 O ATOM 753 CB TRP A 44 109.067 0.645 0.236 1.00 0.00 C ATOM 754 CG TRP A 44 107.826 0.550 1.052 1.00 0.00 C ATOM 755 CD1 TRP A 44 107.176 1.603 1.600 1.00 0.00 C ATOM 756 CD2 TRP A 44 107.070 -0.638 1.428 1.00 0.00 C ATOM 757 NE1 TRP A 44 106.070 1.137 2.288 1.00 0.00 N ATOM 758 CE2 TRP A 44 105.962 -0.237 2.211 1.00 0.00 C ATOM 759 CE3 TRP A 44 107.237 -2.010 1.168 1.00 0.00 C ATOM 760 CZ2 TRP A 44 105.051 -1.166 2.719 1.00 0.00 C ATOM 761 CZ3 TRP A 44 106.323 -2.947 1.677 1.00 0.00 C ATOM 762 CH2 TRP A 44 105.233 -2.525 2.451 1.00 0.00 C ATOM 0 H TRP A 44 109.856 -1.280 -1.075 1.00 0.00 H new ATOM 0 HA TRP A 44 107.627 0.486 -1.362 1.00 0.00 H new ATOM 0 HB2 TRP A 44 109.779 -0.121 0.544 1.00 0.00 H new ATOM 0 HB3 TRP A 44 109.549 1.610 0.395 1.00 0.00 H new ATOM 0 HD1 TRP A 44 107.472 2.638 1.514 1.00 0.00 H new ATOM 0 HE1 TRP A 44 105.415 1.735 2.791 1.00 0.00 H new ATOM 0 HE3 TRP A 44 108.074 -2.345 0.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 104.212 -0.836 3.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 106.461 -3.998 1.471 1.00 0.00 H new ATOM 0 HH2 TRP A 44 104.534 -3.250 2.840 1.00 0.00 H new ATOM 773 N PHE A 45 109.723 1.317 -3.271 1.00 0.00 N ATOM 774 CA PHE A 45 110.300 2.325 -4.139 1.00 0.00 C ATOM 775 C PHE A 45 111.423 3.069 -3.411 1.00 0.00 C ATOM 776 O PHE A 45 111.169 4.062 -2.727 1.00 0.00 O ATOM 777 CB PHE A 45 109.232 3.319 -4.585 1.00 0.00 C ATOM 778 CG PHE A 45 108.744 2.926 -5.962 1.00 0.00 C ATOM 779 CD1 PHE A 45 107.411 2.540 -6.144 1.00 0.00 C ATOM 780 CD2 PHE A 45 109.623 2.944 -7.052 1.00 0.00 C ATOM 781 CE1 PHE A 45 106.957 2.171 -7.416 1.00 0.00 C ATOM 782 CE2 PHE A 45 109.169 2.576 -8.324 1.00 0.00 C ATOM 783 CZ PHE A 45 107.835 2.189 -8.506 1.00 0.00 C ATOM 0 H PHE A 45 109.686 0.380 -3.673 1.00 0.00 H new ATOM 0 HA PHE A 45 110.710 1.828 -5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 45 108.402 3.324 -3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 45 109.641 4.329 -4.604 1.00 0.00 H new ATOM 0 HD1 PHE A 45 106.733 2.527 -5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 45 110.652 3.242 -6.911 1.00 0.00 H new ATOM 0 HE1 PHE A 45 105.929 1.872 -7.556 1.00 0.00 H new ATOM 0 HE2 PHE A 45 109.847 2.590 -9.165 1.00 0.00 H new ATOM 0 HZ PHE A 45 107.484 1.905 -9.487 1.00 0.00 H new ATOM 793 N PRO A 46 112.649 2.613 -3.528 1.00 0.00 N ATOM 794 CA PRO A 46 113.806 3.256 -2.848 1.00 0.00 C ATOM 795 C PRO A 46 114.206 4.572 -3.502 1.00 0.00 C ATOM 796 O PRO A 46 115.080 5.280 -3.004 1.00 0.00 O ATOM 797 CB PRO A 46 114.927 2.221 -2.964 1.00 0.00 C ATOM 798 CG PRO A 46 114.588 1.389 -4.149 1.00 0.00 C ATOM 799 CD PRO A 46 113.071 1.435 -4.314 1.00 0.00 C ATOM 0 HA PRO A 46 113.572 3.518 -1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 46 115.895 2.705 -3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 46 114.991 1.611 -2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 46 115.084 1.771 -5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 46 114.929 0.363 -4.009 1.00 0.00 H new ATOM 0 HD2 PRO A 46 112.789 1.535 -5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 46 112.604 0.523 -3.944 1.00 0.00 H new ATOM 807 N GLN A 47 113.576 4.892 -4.628 1.00 0.00 N ATOM 808 CA GLN A 47 113.907 6.125 -5.328 1.00 0.00 C ATOM 809 C GLN A 47 113.164 7.314 -4.722 1.00 0.00 C ATOM 810 O GLN A 47 113.775 8.288 -4.286 1.00 0.00 O ATOM 811 CB GLN A 47 113.515 5.983 -6.800 1.00 0.00 C ATOM 812 CG GLN A 47 114.232 4.771 -7.408 1.00 0.00 C ATOM 813 CD GLN A 47 115.741 4.991 -7.379 1.00 0.00 C ATOM 814 OE1 GLN A 47 116.211 6.091 -7.673 1.00 0.00 O ATOM 815 NE2 GLN A 47 116.531 4.010 -7.040 1.00 0.00 N ATOM 0 H GLN A 47 112.849 4.327 -5.067 1.00 0.00 H new ATOM 0 HA GLN A 47 114.978 6.303 -5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 47 112.435 5.862 -6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 47 113.781 6.888 -7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 47 113.977 3.870 -6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 47 113.898 4.617 -8.434 1.00 0.00 H new ATOM 0 HE21 GLN A 47 116.139 3.100 -6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 47 117.541 4.153 -7.018 1.00 0.00 H new ATOM 824 N GLU A 48 111.841 7.209 -4.693 1.00 0.00 N ATOM 825 CA GLU A 48 110.997 8.261 -4.123 1.00 0.00 C ATOM 826 C GLU A 48 110.702 7.982 -2.650 1.00 0.00 C ATOM 827 O GLU A 48 110.276 8.871 -1.913 1.00 0.00 O ATOM 828 CB GLU A 48 109.682 8.387 -4.908 1.00 0.00 C ATOM 829 CG GLU A 48 109.148 6.999 -5.281 1.00 0.00 C ATOM 830 CD GLU A 48 107.891 7.119 -6.136 1.00 0.00 C ATOM 831 OE1 GLU A 48 107.068 6.221 -6.070 1.00 0.00 O ATOM 832 OE2 GLU A 48 107.769 8.106 -6.844 1.00 0.00 O ATOM 0 H GLU A 48 111.326 6.407 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 48 111.540 9.203 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 48 108.943 8.919 -4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 48 109.845 8.976 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 48 109.912 6.443 -5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 48 108.926 6.434 -4.376 1.00 0.00 H new ATOM 839 N GLY A 49 110.913 6.735 -2.236 1.00 0.00 N ATOM 840 CA GLY A 49 110.646 6.340 -0.857 1.00 0.00 C ATOM 841 C GLY A 49 109.158 6.482 -0.543 1.00 0.00 C ATOM 842 O GLY A 49 108.750 7.409 0.155 1.00 0.00 O ATOM 0 H GLY A 49 111.266 5.986 -2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 49 110.961 5.308 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 49 111.229 6.959 -0.175 1.00 0.00 H new ATOM 846 N THR A 50 108.354 5.563 -1.076 1.00 0.00 N ATOM 847 CA THR A 50 106.910 5.599 -0.860 1.00 0.00 C ATOM 848 C THR A 50 106.318 4.197 -0.905 1.00 0.00 C ATOM 849 O THR A 50 106.987 3.241 -1.295 1.00 0.00 O ATOM 850 CB THR A 50 106.243 6.458 -1.933 1.00 0.00 C ATOM 851 OG1 THR A 50 104.920 6.787 -1.526 1.00 0.00 O ATOM 852 CG2 THR A 50 106.194 5.682 -3.253 1.00 0.00 C ATOM 0 H THR A 50 108.676 4.789 -1.657 1.00 0.00 H new ATOM 0 HA THR A 50 106.727 6.028 0.125 1.00 0.00 H new ATOM 0 HB THR A 50 106.817 7.374 -2.072 1.00 0.00 H new ATOM 0 HG1 THR A 50 104.669 7.656 -1.902 1.00 0.00 H new ATOM 0 HG21 THR A 50 105.718 6.295 -4.018 1.00 0.00 H new ATOM 0 HG22 THR A 50 107.208 5.433 -3.566 1.00 0.00 H new ATOM 0 HG23 THR A 50 105.621 4.765 -3.115 1.00 0.00 H new ATOM 860 N ILE A 51 105.054 4.084 -0.514 1.00 0.00 N ATOM 861 CA ILE A 51 104.373 2.795 -0.527 1.00 0.00 C ATOM 862 C ILE A 51 103.744 2.550 -1.892 1.00 0.00 C ATOM 863 O ILE A 51 103.366 3.494 -2.587 1.00 0.00 O ATOM 864 CB ILE A 51 103.279 2.763 0.537 1.00 0.00 C ATOM 865 CG1 ILE A 51 103.747 3.527 1.774 1.00 0.00 C ATOM 866 CG2 ILE A 51 102.984 1.312 0.919 1.00 0.00 C ATOM 867 CD1 ILE A 51 102.810 3.243 2.943 1.00 0.00 C ATOM 0 H ILE A 51 104.483 4.863 -0.186 1.00 0.00 H new ATOM 0 HA ILE A 51 105.107 2.017 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 51 102.376 3.228 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 51 104.764 3.232 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 51 103.769 4.597 1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 51 102.203 1.287 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 51 102.650 0.764 0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 51 103.888 0.848 1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 51 103.149 3.791 3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 51 101.800 3.560 2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 51 102.811 2.175 3.159 1.00 0.00 H new ATOM 879 N ASP A 52 103.615 1.285 -2.273 1.00 0.00 N ATOM 880 CA ASP A 52 103.010 0.940 -3.553 1.00 0.00 C ATOM 881 C ASP A 52 102.119 -0.294 -3.403 1.00 0.00 C ATOM 882 O ASP A 52 102.579 -1.356 -2.993 1.00 0.00 O ATOM 883 CB ASP A 52 104.107 0.646 -4.560 1.00 0.00 C ATOM 884 CG ASP A 52 103.498 0.277 -5.909 1.00 0.00 C ATOM 885 OD1 ASP A 52 102.287 0.138 -5.971 1.00 0.00 O ATOM 886 OD2 ASP A 52 104.249 0.147 -6.861 1.00 0.00 O ATOM 0 H ASP A 52 103.919 0.485 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 52 102.402 1.777 -3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 52 104.753 1.517 -4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 52 104.732 -0.171 -4.199 1.00 0.00 H new ATOM 891 N ILE A 53 100.849 -0.131 -3.753 1.00 0.00 N ATOM 892 CA ILE A 53 99.882 -1.224 -3.669 1.00 0.00 C ATOM 893 C ILE A 53 100.162 -2.288 -4.724 1.00 0.00 C ATOM 894 O ILE A 53 100.064 -3.485 -4.453 1.00 0.00 O ATOM 895 CB ILE A 53 98.456 -0.687 -3.832 1.00 0.00 C ATOM 896 CG1 ILE A 53 98.248 0.479 -2.841 1.00 0.00 C ATOM 897 CG2 ILE A 53 97.456 -1.819 -3.540 1.00 0.00 C ATOM 898 CD1 ILE A 53 98.567 0.031 -1.402 1.00 0.00 C ATOM 0 H ILE A 53 100.462 0.747 -4.098 1.00 0.00 H new ATOM 0 HA ILE A 53 99.980 -1.684 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 53 98.298 -0.328 -4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 53 98.888 1.317 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 53 97.218 0.832 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 53 96.439 -1.444 -3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 53 97.621 -2.639 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 53 97.599 -2.177 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 53 98.415 0.866 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 53 97.908 -0.791 -1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 53 99.604 -0.299 -1.345 1.00 0.00 H new ATOM 910 N LYS A 54 100.492 -1.848 -5.933 1.00 0.00 N ATOM 911 CA LYS A 54 100.760 -2.782 -7.029 1.00 0.00 C ATOM 912 C LYS A 54 101.973 -3.670 -6.728 1.00 0.00 C ATOM 913 O LYS A 54 101.887 -4.903 -6.763 1.00 0.00 O ATOM 914 CB LYS A 54 101.027 -1.998 -8.319 1.00 0.00 C ATOM 915 CG LYS A 54 99.764 -1.237 -8.731 1.00 0.00 C ATOM 916 CD LYS A 54 100.017 -0.507 -10.053 1.00 0.00 C ATOM 917 CE LYS A 54 98.764 0.274 -10.454 1.00 0.00 C ATOM 918 NZ LYS A 54 99.031 1.032 -11.710 1.00 0.00 N ATOM 0 H LYS A 54 100.581 -0.863 -6.181 1.00 0.00 H new ATOM 0 HA LYS A 54 99.884 -3.420 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 54 101.851 -1.300 -8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 54 101.328 -2.680 -9.114 1.00 0.00 H new ATOM 0 HG2 LYS A 54 98.929 -1.929 -8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 54 99.488 -0.522 -7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 54 100.864 0.172 -9.949 1.00 0.00 H new ATOM 0 HD3 LYS A 54 100.276 -1.224 -10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 54 97.928 -0.410 -10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 54 98.479 0.960 -9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 98.179 1.563 -11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 99.817 1.695 -11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 99.283 0.368 -12.470 1.00 0.00 H new ATOM 932 N ARG A 55 103.098 -3.042 -6.416 1.00 0.00 N ATOM 933 CA ARG A 55 104.311 -3.787 -6.103 1.00 0.00 C ATOM 934 C ARG A 55 104.129 -4.577 -4.814 1.00 0.00 C ATOM 935 O ARG A 55 104.650 -5.683 -4.679 1.00 0.00 O ATOM 936 CB ARG A 55 105.508 -2.835 -5.986 1.00 0.00 C ATOM 937 CG ARG A 55 105.887 -2.318 -7.372 1.00 0.00 C ATOM 938 CD ARG A 55 107.003 -1.283 -7.238 1.00 0.00 C ATOM 939 NE ARG A 55 107.369 -0.762 -8.549 1.00 0.00 N ATOM 940 CZ ARG A 55 108.259 -1.385 -9.314 1.00 0.00 C ATOM 941 NH1 ARG A 55 108.570 -0.898 -10.484 1.00 0.00 N ATOM 942 NH2 ARG A 55 108.824 -2.484 -8.894 1.00 0.00 N ATOM 0 H ARG A 55 103.197 -2.028 -6.373 1.00 0.00 H new ATOM 0 HA ARG A 55 104.507 -4.489 -6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 55 105.259 -2.000 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 55 106.355 -3.353 -5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 55 106.215 -3.144 -8.003 1.00 0.00 H new ATOM 0 HG3 ARG A 55 105.018 -1.872 -7.856 1.00 0.00 H new ATOM 0 HD2 ARG A 55 106.676 -0.467 -6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 55 107.873 -1.736 -6.763 1.00 0.00 H new ATOM 0 HE ARG A 55 106.934 0.097 -8.886 1.00 0.00 H new ATOM 0 HH11 ARG A 55 108.130 -0.038 -10.812 1.00 0.00 H new ATOM 0 HH12 ARG A 55 109.253 -1.377 -11.071 1.00 0.00 H new ATOM 0 HH21 ARG A 55 108.582 -2.864 -7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 55 109.507 -2.963 -9.481 1.00 0.00 H new ATOM 956 N TRP A 56 103.394 -4.002 -3.864 1.00 0.00 N ATOM 957 CA TRP A 56 103.169 -4.668 -2.590 1.00 0.00 C ATOM 958 C TRP A 56 102.560 -6.047 -2.807 1.00 0.00 C ATOM 959 O TRP A 56 102.878 -7.004 -2.099 1.00 0.00 O ATOM 960 CB TRP A 56 102.259 -3.827 -1.698 1.00 0.00 C ATOM 961 CG TRP A 56 101.798 -4.645 -0.533 1.00 0.00 C ATOM 962 CD1 TRP A 56 100.502 -4.883 -0.224 1.00 0.00 C ATOM 963 CD2 TRP A 56 102.593 -5.330 0.478 1.00 0.00 C ATOM 964 NE1 TRP A 56 100.452 -5.669 0.912 1.00 0.00 N ATOM 965 CE2 TRP A 56 101.714 -5.971 1.383 1.00 0.00 C ATOM 966 CE3 TRP A 56 103.977 -5.455 0.697 1.00 0.00 C ATOM 967 CZ2 TRP A 56 102.191 -6.711 2.466 1.00 0.00 C ATOM 968 CZ3 TRP A 56 104.460 -6.198 1.785 1.00 0.00 C ATOM 969 CH2 TRP A 56 103.570 -6.826 2.668 1.00 0.00 C ATOM 0 H TRP A 56 102.951 -3.088 -3.953 1.00 0.00 H new ATOM 0 HA TRP A 56 104.132 -4.786 -2.093 1.00 0.00 H new ATOM 0 HB2 TRP A 56 102.793 -2.945 -1.346 1.00 0.00 H new ATOM 0 HB3 TRP A 56 101.400 -3.473 -2.269 1.00 0.00 H new ATOM 0 HD1 TRP A 56 99.647 -4.519 -0.775 1.00 0.00 H new ATOM 0 HE1 TRP A 56 99.587 -5.987 1.349 1.00 0.00 H new ATOM 0 HE3 TRP A 56 104.672 -4.976 0.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 101.500 -7.191 3.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 105.525 -6.287 1.943 1.00 0.00 H new ATOM 0 HH2 TRP A 56 103.949 -7.397 3.503 1.00 0.00 H new ATOM 980 N ARG A 57 101.682 -6.139 -3.793 1.00 0.00 N ATOM 981 CA ARG A 57 101.040 -7.405 -4.112 1.00 0.00 C ATOM 982 C ARG A 57 102.065 -8.378 -4.683 1.00 0.00 C ATOM 983 O ARG A 57 102.042 -9.568 -4.373 1.00 0.00 O ATOM 984 CB ARG A 57 99.900 -7.194 -5.114 1.00 0.00 C ATOM 985 CG ARG A 57 99.193 -8.525 -5.379 1.00 0.00 C ATOM 986 CD ARG A 57 98.043 -8.298 -6.356 1.00 0.00 C ATOM 987 NE ARG A 57 97.252 -9.514 -6.491 1.00 0.00 N ATOM 988 CZ ARG A 57 96.360 -9.649 -7.466 1.00 0.00 C ATOM 989 NH1 ARG A 57 95.660 -10.745 -7.563 1.00 0.00 N ATOM 990 NH2 ARG A 57 96.183 -8.683 -8.327 1.00 0.00 N ATOM 0 H ARG A 57 101.398 -5.357 -4.384 1.00 0.00 H new ATOM 0 HA ARG A 57 100.622 -7.823 -3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 57 99.190 -6.465 -4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 57 100.293 -6.788 -6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 57 99.897 -9.249 -5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 57 98.816 -8.942 -4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 57 97.412 -7.482 -6.004 1.00 0.00 H new ATOM 0 HD3 ARG A 57 98.435 -8.000 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 57 97.385 -10.275 -5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 57 95.797 -11.499 -6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 57 94.975 -10.848 -8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 57 96.730 -7.825 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 57 95.498 -8.786 -9.076 1.00 0.00 H new ATOM 1004 N ARG A 58 102.960 -7.867 -5.527 1.00 0.00 N ATOM 1005 CA ARG A 58 103.985 -8.715 -6.137 1.00 0.00 C ATOM 1006 C ARG A 58 104.876 -9.368 -5.080 1.00 0.00 C ATOM 1007 O ARG A 58 105.093 -10.578 -5.104 1.00 0.00 O ATOM 1008 CB ARG A 58 104.851 -7.881 -7.078 1.00 0.00 C ATOM 1009 CG ARG A 58 104.318 -8.000 -8.505 1.00 0.00 C ATOM 1010 CD ARG A 58 105.143 -7.108 -9.433 1.00 0.00 C ATOM 1011 NE ARG A 58 104.864 -5.702 -9.162 1.00 0.00 N ATOM 1012 CZ ARG A 58 103.825 -5.094 -9.726 1.00 0.00 C ATOM 1013 NH1 ARG A 58 103.589 -3.836 -9.474 1.00 0.00 N ATOM 1014 NH2 ARG A 58 103.042 -5.757 -10.533 1.00 0.00 N ATOM 0 H ARG A 58 102.998 -6.885 -5.802 1.00 0.00 H new ATOM 0 HA ARG A 58 103.477 -9.504 -6.692 1.00 0.00 H new ATOM 0 HB2 ARG A 58 104.847 -6.837 -6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 58 105.885 -8.223 -7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 58 104.370 -9.036 -8.839 1.00 0.00 H new ATOM 0 HG3 ARG A 58 103.269 -7.706 -8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 58 106.205 -7.309 -9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 58 104.910 -7.338 -10.473 1.00 0.00 H new ATOM 0 HE ARG A 58 105.473 -5.179 -8.533 1.00 0.00 H new ATOM 0 HH11 ARG A 58 104.202 -3.318 -8.844 1.00 0.00 H new ATOM 0 HH12 ARG A 58 102.792 -3.370 -9.907 1.00 0.00 H new ATOM 0 HH21 ARG A 58 103.228 -6.740 -10.730 1.00 0.00 H new ATOM 0 HH22 ARG A 58 102.244 -5.292 -10.966 1.00 0.00 H new ATOM 1028 N VAL A 59 105.382 -8.562 -4.153 1.00 0.00 N ATOM 1029 CA VAL A 59 106.243 -9.077 -3.082 1.00 0.00 C ATOM 1030 C VAL A 59 105.449 -9.997 -2.156 1.00 0.00 C ATOM 1031 O VAL A 59 105.928 -11.055 -1.753 1.00 0.00 O ATOM 1032 CB VAL A 59 106.836 -7.911 -2.278 1.00 0.00 C ATOM 1033 CG1 VAL A 59 105.717 -6.989 -1.807 1.00 0.00 C ATOM 1034 CG2 VAL A 59 107.579 -8.449 -1.056 1.00 0.00 C ATOM 0 H VAL A 59 105.216 -7.556 -4.117 1.00 0.00 H new ATOM 0 HA VAL A 59 107.054 -9.649 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 59 107.527 -7.359 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 59 106.142 -6.163 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 59 105.181 -6.596 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 59 105.026 -7.548 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 59 107.998 -7.617 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 59 106.886 -9.006 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 59 108.384 -9.108 -1.381 1.00 0.00 H new ATOM 1044 N GLY A 60 104.233 -9.577 -1.818 1.00 0.00 N ATOM 1045 CA GLY A 60 103.382 -10.365 -0.932 1.00 0.00 C ATOM 1046 C GLY A 60 103.086 -11.736 -1.531 1.00 0.00 C ATOM 1047 O GLY A 60 103.229 -12.760 -0.864 1.00 0.00 O ATOM 0 H GLY A 60 103.818 -8.703 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 60 103.871 -10.485 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 60 102.447 -9.834 -0.753 1.00 0.00 H new ATOM 1051 N ASP A 61 102.673 -11.748 -2.794 1.00 0.00 N ATOM 1052 CA ASP A 61 102.359 -13.000 -3.477 1.00 0.00 C ATOM 1053 C ASP A 61 103.631 -13.806 -3.754 1.00 0.00 C ATOM 1054 O ASP A 61 103.640 -15.031 -3.646 1.00 0.00 O ATOM 1055 CB ASP A 61 101.632 -12.710 -4.794 1.00 0.00 C ATOM 1056 CG ASP A 61 101.282 -14.019 -5.500 1.00 0.00 C ATOM 1057 OD1 ASP A 61 101.751 -15.052 -5.050 1.00 0.00 O ATOM 1058 OD2 ASP A 61 100.554 -13.969 -6.477 1.00 0.00 O ATOM 0 H ASP A 61 102.548 -10.911 -3.363 1.00 0.00 H new ATOM 0 HA ASP A 61 101.712 -13.590 -2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 61 100.724 -12.139 -4.599 1.00 0.00 H new ATOM 0 HB3 ASP A 61 102.262 -12.097 -5.439 1.00 0.00 H new ATOM 1063 N CYS A 62 104.697 -13.105 -4.117 1.00 0.00 N ATOM 1064 CA CYS A 62 105.964 -13.765 -4.422 1.00 0.00 C ATOM 1065 C CYS A 62 106.439 -14.595 -3.234 1.00 0.00 C ATOM 1066 O CYS A 62 106.875 -15.738 -3.395 1.00 0.00 O ATOM 1067 CB CYS A 62 107.023 -12.718 -4.769 1.00 0.00 C ATOM 1068 SG CYS A 62 106.832 -12.211 -6.496 1.00 0.00 S ATOM 0 H CYS A 62 104.713 -12.089 -4.208 1.00 0.00 H new ATOM 0 HA CYS A 62 105.811 -14.428 -5.274 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.923 -11.854 -4.112 1.00 0.00 H new ATOM 0 HB3 CYS A 62 108.020 -13.127 -4.608 1.00 0.00 H new ATOM 0 HG CYS A 62 105.970 -11.240 -6.571 1.00 0.00 H new ATOM 1074 N PHE A 63 106.330 -14.026 -2.039 1.00 0.00 N ATOM 1075 CA PHE A 63 106.731 -14.733 -0.830 1.00 0.00 C ATOM 1076 C PHE A 63 105.692 -15.779 -0.445 1.00 0.00 C ATOM 1077 O PHE A 63 106.033 -16.842 0.068 1.00 0.00 O ATOM 1078 CB PHE A 63 106.928 -13.741 0.316 1.00 0.00 C ATOM 1079 CG PHE A 63 108.362 -13.272 0.325 1.00 0.00 C ATOM 1080 CD1 PHE A 63 108.786 -12.279 -0.567 1.00 0.00 C ATOM 1081 CD2 PHE A 63 109.271 -13.832 1.232 1.00 0.00 C ATOM 1082 CE1 PHE A 63 110.117 -11.847 -0.552 1.00 0.00 C ATOM 1083 CE2 PHE A 63 110.602 -13.399 1.247 1.00 0.00 C ATOM 1084 CZ PHE A 63 111.025 -12.406 0.354 1.00 0.00 C ATOM 0 H PHE A 63 105.970 -13.085 -1.882 1.00 0.00 H new ATOM 0 HA PHE A 63 107.674 -15.243 -1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 63 106.256 -12.891 0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 63 106.681 -14.212 1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 63 108.086 -11.847 -1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 63 108.945 -14.598 1.920 1.00 0.00 H new ATOM 0 HE1 PHE A 63 110.444 -11.082 -1.240 1.00 0.00 H new ATOM 0 HE2 PHE A 63 111.303 -13.830 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 63 112.052 -12.072 0.365 1.00 0.00 H new ATOM 1094 N GLN A 64 104.423 -15.464 -0.681 1.00 0.00 N ATOM 1095 CA GLN A 64 103.345 -16.387 -0.336 1.00 0.00 C ATOM 1096 C GLN A 64 103.468 -17.680 -1.126 1.00 0.00 C ATOM 1097 O GLN A 64 103.380 -18.771 -0.565 1.00 0.00 O ATOM 1098 CB GLN A 64 101.992 -15.738 -0.622 1.00 0.00 C ATOM 1099 CG GLN A 64 100.866 -16.673 -0.174 1.00 0.00 C ATOM 1100 CD GLN A 64 99.525 -15.951 -0.264 1.00 0.00 C ATOM 1101 OE1 GLN A 64 99.476 -14.721 -0.230 1.00 0.00 O ATOM 1102 NE2 GLN A 64 98.427 -16.647 -0.379 1.00 0.00 N ATOM 0 H GLN A 64 104.117 -14.588 -1.104 1.00 0.00 H new ATOM 0 HA GLN A 64 103.420 -16.619 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 64 101.917 -14.785 -0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 64 101.898 -15.524 -1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 64 100.851 -17.565 -0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 64 101.042 -17.005 0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 64 98.470 -17.666 -0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 64 97.526 -16.172 -0.441 1.00 0.00 H new ATOM 1111 N ASP A 65 103.675 -17.554 -2.429 1.00 0.00 N ATOM 1112 CA ASP A 65 103.812 -18.725 -3.280 1.00 0.00 C ATOM 1113 C ASP A 65 105.010 -19.565 -2.853 1.00 0.00 C ATOM 1114 O ASP A 65 104.891 -20.772 -2.653 1.00 0.00 O ATOM 1115 CB ASP A 65 103.999 -18.279 -4.722 1.00 0.00 C ATOM 1116 CG ASP A 65 104.367 -19.475 -5.591 1.00 0.00 C ATOM 1117 OD1 ASP A 65 104.107 -20.590 -5.169 1.00 0.00 O ATOM 1118 OD2 ASP A 65 104.910 -19.262 -6.663 1.00 0.00 O ATOM 0 H ASP A 65 103.751 -16.661 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 65 102.910 -19.331 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 65 103.083 -17.818 -5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 65 104.781 -17.522 -4.779 1.00 0.00 H new ATOM 1123 N TYR A 66 106.166 -18.921 -2.711 1.00 0.00 N ATOM 1124 CA TYR A 66 107.375 -19.633 -2.303 1.00 0.00 C ATOM 1125 C TYR A 66 107.198 -20.256 -0.923 1.00 0.00 C ATOM 1126 O TYR A 66 107.566 -21.406 -0.697 1.00 0.00 O ATOM 1127 CB TYR A 66 108.565 -18.675 -2.278 1.00 0.00 C ATOM 1128 CG TYR A 66 109.327 -18.781 -3.578 1.00 0.00 C ATOM 1129 CD1 TYR A 66 110.011 -19.964 -3.885 1.00 0.00 C ATOM 1130 CD2 TYR A 66 109.359 -17.702 -4.468 1.00 0.00 C ATOM 1131 CE1 TYR A 66 110.727 -20.066 -5.084 1.00 0.00 C ATOM 1132 CE2 TYR A 66 110.074 -17.805 -5.668 1.00 0.00 C ATOM 1133 CZ TYR A 66 110.758 -18.987 -5.975 1.00 0.00 C ATOM 1134 OH TYR A 66 111.464 -19.088 -7.157 1.00 0.00 O ATOM 0 H TYR A 66 106.291 -17.921 -2.870 1.00 0.00 H new ATOM 0 HA TYR A 66 107.560 -20.427 -3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 66 108.219 -17.652 -2.130 1.00 0.00 H new ATOM 0 HB3 TYR A 66 109.220 -18.914 -1.440 1.00 0.00 H new ATOM 0 HD1 TYR A 66 109.986 -20.797 -3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 66 108.832 -16.790 -4.230 1.00 0.00 H new ATOM 0 HE1 TYR A 66 111.255 -20.977 -5.321 1.00 0.00 H new ATOM 0 HE2 TYR A 66 110.098 -16.973 -6.356 1.00 0.00 H new ATOM 0 HH TYR A 66 111.381 -18.251 -7.660 1.00 0.00 H new ATOM 1144 N TYR A 67 106.637 -19.489 -0.003 1.00 0.00 N ATOM 1145 CA TYR A 67 106.419 -19.976 1.354 1.00 0.00 C ATOM 1146 C TYR A 67 105.465 -21.166 1.347 1.00 0.00 C ATOM 1147 O TYR A 67 105.630 -22.111 2.117 1.00 0.00 O ATOM 1148 CB TYR A 67 105.844 -18.856 2.225 1.00 0.00 C ATOM 1149 CG TYR A 67 105.705 -19.340 3.647 1.00 0.00 C ATOM 1150 CD1 TYR A 67 104.434 -19.537 4.201 1.00 0.00 C ATOM 1151 CD2 TYR A 67 106.849 -19.597 4.412 1.00 0.00 C ATOM 1152 CE1 TYR A 67 104.307 -19.991 5.519 1.00 0.00 C ATOM 1153 CE2 TYR A 67 106.722 -20.051 5.730 1.00 0.00 C ATOM 1154 CZ TYR A 67 105.451 -20.248 6.284 1.00 0.00 C ATOM 1155 OH TYR A 67 105.327 -20.697 7.584 1.00 0.00 O ATOM 0 H TYR A 67 106.325 -18.532 -0.167 1.00 0.00 H new ATOM 0 HA TYR A 67 107.376 -20.297 1.766 1.00 0.00 H new ATOM 0 HB2 TYR A 67 106.496 -17.983 2.190 1.00 0.00 H new ATOM 0 HB3 TYR A 67 104.873 -18.544 1.840 1.00 0.00 H new ATOM 0 HD1 TYR A 67 103.551 -19.339 3.611 1.00 0.00 H new ATOM 0 HD2 TYR A 67 107.829 -19.445 3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 67 103.327 -20.143 5.946 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.605 -20.249 6.320 1.00 0.00 H new ATOM 0 HH TYR A 67 106.218 -20.827 7.972 1.00 0.00 H new ATOM 1165 N ASN A 68 104.463 -21.111 0.474 1.00 0.00 N ATOM 1166 CA ASN A 68 103.476 -22.184 0.378 1.00 0.00 C ATOM 1167 C ASN A 68 104.127 -23.506 -0.025 1.00 0.00 C ATOM 1168 O ASN A 68 103.761 -24.565 0.481 1.00 0.00 O ATOM 1169 CB ASN A 68 102.407 -21.816 -0.652 1.00 0.00 C ATOM 1170 CG ASN A 68 101.458 -20.776 -0.070 1.00 0.00 C ATOM 1171 OD1 ASN A 68 101.414 -20.586 1.146 1.00 0.00 O ATOM 1172 ND2 ASN A 68 100.692 -20.084 -0.869 1.00 0.00 N ATOM 0 H ASN A 68 104.313 -20.339 -0.175 1.00 0.00 H new ATOM 0 HA ASN A 68 103.022 -22.308 1.361 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.879 -21.426 -1.554 1.00 0.00 H new ATOM 0 HB3 ASN A 68 101.850 -22.706 -0.944 1.00 0.00 H new ATOM 0 HD21 ASN A 68 100.056 -19.385 -0.486 1.00 0.00 H new ATOM 0 HD22 ASN A 68 100.730 -20.243 -1.876 1.00 0.00 H new ATOM 1179 N THR A 69 105.084 -23.440 -0.946 1.00 0.00 N ATOM 1180 CA THR A 69 105.766 -24.648 -1.416 1.00 0.00 C ATOM 1181 C THR A 69 106.257 -25.476 -0.240 1.00 0.00 C ATOM 1182 O THR A 69 106.349 -26.700 -0.329 1.00 0.00 O ATOM 1183 CB THR A 69 106.956 -24.273 -2.314 1.00 0.00 C ATOM 1184 OG1 THR A 69 107.906 -23.536 -1.557 1.00 0.00 O ATOM 1185 CG2 THR A 69 106.472 -23.415 -3.486 1.00 0.00 C ATOM 0 H THR A 69 105.404 -22.574 -1.380 1.00 0.00 H new ATOM 0 HA THR A 69 105.054 -25.239 -1.992 1.00 0.00 H new ATOM 0 HB THR A 69 107.416 -25.184 -2.697 1.00 0.00 H new ATOM 0 HG1 THR A 69 107.633 -22.596 -1.515 1.00 0.00 H new ATOM 0 HG21 THR A 69 107.320 -23.152 -4.119 1.00 0.00 H new ATOM 0 HG22 THR A 69 105.743 -23.976 -4.071 1.00 0.00 H new ATOM 0 HG23 THR A 69 106.009 -22.505 -3.104 1.00 0.00 H new ATOM 1193 N PHE A 70 106.567 -24.812 0.859 1.00 0.00 N ATOM 1194 CA PHE A 70 107.046 -25.518 2.034 1.00 0.00 C ATOM 1195 C PHE A 70 105.884 -26.154 2.792 1.00 0.00 C ATOM 1196 O PHE A 70 106.035 -26.576 3.938 1.00 0.00 O ATOM 1197 CB PHE A 70 107.792 -24.552 2.954 1.00 0.00 C ATOM 1198 CG PHE A 70 109.103 -24.158 2.318 1.00 0.00 C ATOM 1199 CD1 PHE A 70 109.174 -23.023 1.500 1.00 0.00 C ATOM 1200 CD2 PHE A 70 110.249 -24.931 2.543 1.00 0.00 C ATOM 1201 CE1 PHE A 70 110.391 -22.661 0.910 1.00 0.00 C ATOM 1202 CE2 PHE A 70 111.465 -24.569 1.952 1.00 0.00 C ATOM 1203 CZ PHE A 70 111.536 -23.435 1.135 1.00 0.00 C ATOM 0 H PHE A 70 106.497 -23.800 0.963 1.00 0.00 H new ATOM 0 HA PHE A 70 107.724 -26.307 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 70 107.184 -23.666 3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 70 107.972 -25.021 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 70 108.290 -22.427 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 70 110.194 -25.807 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 70 110.447 -21.785 0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 70 112.349 -25.165 2.126 1.00 0.00 H new ATOM 0 HZ PHE A 70 112.474 -23.157 0.678 1.00 0.00 H new ATOM 1213 N GLY A 71 104.721 -26.207 2.148 1.00 0.00 N ATOM 1214 CA GLY A 71 103.533 -26.777 2.776 1.00 0.00 C ATOM 1215 C GLY A 71 103.440 -26.366 4.244 1.00 0.00 C ATOM 1216 O GLY A 71 103.405 -27.215 5.135 1.00 0.00 O ATOM 0 H GLY A 71 104.576 -25.865 1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 71 102.641 -26.445 2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 71 103.563 -27.864 2.700 1.00 0.00 H new ATOM 1220 N PRO A 72 103.401 -25.085 4.509 1.00 0.00 N ATOM 1221 CA PRO A 72 103.311 -24.550 5.897 1.00 0.00 C ATOM 1222 C PRO A 72 101.897 -24.633 6.459 1.00 0.00 C ATOM 1223 O PRO A 72 100.936 -24.217 5.812 1.00 0.00 O ATOM 1224 CB PRO A 72 103.747 -23.097 5.745 1.00 0.00 C ATOM 1225 CG PRO A 72 103.419 -22.724 4.337 1.00 0.00 C ATOM 1226 CD PRO A 72 103.434 -24.006 3.512 1.00 0.00 C ATOM 0 HA PRO A 72 103.924 -25.119 6.596 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.223 -22.455 6.453 1.00 0.00 H new ATOM 0 HB3 PRO A 72 104.813 -22.985 5.942 1.00 0.00 H new ATOM 0 HG2 PRO A 72 102.441 -22.245 4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 72 104.145 -22.010 3.950 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.575 -24.057 2.843 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.327 -24.067 2.890 1.00 0.00 H new ATOM 1234 N GLU A 73 101.776 -25.160 7.670 1.00 0.00 N ATOM 1235 CA GLU A 73 100.477 -25.278 8.313 1.00 0.00 C ATOM 1236 C GLU A 73 100.136 -24.011 9.083 1.00 0.00 C ATOM 1237 O GLU A 73 98.972 -23.622 9.185 1.00 0.00 O ATOM 1238 CB GLU A 73 100.474 -26.469 9.262 1.00 0.00 C ATOM 1239 CG GLU A 73 100.414 -27.765 8.449 1.00 0.00 C ATOM 1240 CD GLU A 73 100.479 -28.972 9.379 1.00 0.00 C ATOM 1241 OE1 GLU A 73 100.503 -30.082 8.874 1.00 0.00 O ATOM 1242 OE2 GLU A 73 100.503 -28.769 10.582 1.00 0.00 O ATOM 0 H GLU A 73 102.558 -25.511 8.223 1.00 0.00 H new ATOM 0 HA GLU A 73 99.725 -25.427 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 73 101.370 -26.457 9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 73 99.619 -26.409 9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 73 99.494 -27.795 7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 73 101.242 -27.797 7.740 1.00 0.00 H new ATOM 1249 N LYS A 74 101.163 -23.389 9.642 1.00 0.00 N ATOM 1250 CA LYS A 74 100.968 -22.179 10.430 1.00 0.00 C ATOM 1251 C LYS A 74 100.375 -21.061 9.580 1.00 0.00 C ATOM 1252 O LYS A 74 99.425 -20.405 10.004 1.00 0.00 O ATOM 1253 CB LYS A 74 102.302 -21.702 11.012 1.00 0.00 C ATOM 1254 CG LYS A 74 103.103 -22.907 11.517 1.00 0.00 C ATOM 1255 CD LYS A 74 102.221 -23.762 12.421 1.00 0.00 C ATOM 1256 CE LYS A 74 103.096 -24.710 13.241 1.00 0.00 C ATOM 1257 NZ LYS A 74 102.229 -25.558 14.108 1.00 0.00 N ATOM 0 H LYS A 74 102.132 -23.698 9.567 1.00 0.00 H new ATOM 0 HA LYS A 74 100.276 -22.420 11.237 1.00 0.00 H new ATOM 0 HB2 LYS A 74 102.871 -21.167 10.252 1.00 0.00 H new ATOM 0 HB3 LYS A 74 102.125 -21.002 11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 74 103.460 -23.499 10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 74 103.983 -22.569 12.064 1.00 0.00 H new ATOM 0 HD2 LYS A 74 101.637 -23.125 13.084 1.00 0.00 H new ATOM 0 HD3 LYS A 74 101.512 -24.332 11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 74 103.692 -25.338 12.578 1.00 0.00 H new ATOM 0 HE3 LYS A 74 103.795 -24.140 13.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 102.823 -26.204 14.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 101.679 -24.951 14.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 101.579 -26.112 13.514 1.00 0.00 H new ATOM 1271 N VAL A 75 100.941 -20.858 8.382 1.00 0.00 N ATOM 1272 CA VAL A 75 100.467 -19.812 7.471 1.00 0.00 C ATOM 1273 C VAL A 75 99.878 -18.637 8.243 1.00 0.00 C ATOM 1274 O VAL A 75 98.660 -18.536 8.388 1.00 0.00 O ATOM 1275 CB VAL A 75 99.419 -20.382 6.527 1.00 0.00 C ATOM 1276 CG1 VAL A 75 98.805 -19.250 5.708 1.00 0.00 C ATOM 1277 CG2 VAL A 75 100.105 -21.371 5.588 1.00 0.00 C ATOM 0 H VAL A 75 101.725 -21.404 8.024 1.00 0.00 H new ATOM 0 HA VAL A 75 101.320 -19.452 6.896 1.00 0.00 H new ATOM 0 HB VAL A 75 98.634 -20.882 7.094 1.00 0.00 H new ATOM 0 HG11 VAL A 75 98.054 -19.657 5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 75 98.337 -18.529 6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 75 99.585 -18.755 5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 75 99.370 -21.792 4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 75 100.879 -20.856 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 75 100.557 -22.173 6.171 1.00 0.00 H new ATOM 1287 N PRO A 76 100.709 -17.763 8.757 1.00 0.00 N ATOM 1288 CA PRO A 76 100.232 -16.597 9.551 1.00 0.00 C ATOM 1289 C PRO A 76 99.238 -15.755 8.765 1.00 0.00 C ATOM 1290 O PRO A 76 99.519 -15.313 7.651 1.00 0.00 O ATOM 1291 CB PRO A 76 101.514 -15.811 9.852 1.00 0.00 C ATOM 1292 CG PRO A 76 102.625 -16.796 9.701 1.00 0.00 C ATOM 1293 CD PRO A 76 102.172 -17.784 8.637 1.00 0.00 C ATOM 0 HA PRO A 76 99.700 -16.896 10.454 1.00 0.00 H new ATOM 0 HB2 PRO A 76 101.633 -14.975 9.163 1.00 0.00 H new ATOM 0 HB3 PRO A 76 101.492 -15.394 10.859 1.00 0.00 H new ATOM 0 HG2 PRO A 76 103.548 -16.299 9.403 1.00 0.00 H new ATOM 0 HG3 PRO A 76 102.826 -17.304 10.644 1.00 0.00 H new ATOM 0 HD2 PRO A 76 102.498 -17.481 7.642 1.00 0.00 H new ATOM 0 HD3 PRO A 76 102.576 -18.781 8.815 1.00 0.00 H new ATOM 1301 N VAL A 77 98.075 -15.538 9.362 1.00 0.00 N ATOM 1302 CA VAL A 77 97.030 -14.744 8.722 1.00 0.00 C ATOM 1303 C VAL A 77 97.276 -13.254 8.929 1.00 0.00 C ATOM 1304 O VAL A 77 96.724 -12.422 8.215 1.00 0.00 O ATOM 1305 CB VAL A 77 95.650 -15.129 9.264 1.00 0.00 C ATOM 1306 CG1 VAL A 77 94.583 -14.233 8.624 1.00 0.00 C ATOM 1307 CG2 VAL A 77 95.348 -16.609 8.930 1.00 0.00 C ATOM 0 H VAL A 77 97.829 -15.898 10.284 1.00 0.00 H new ATOM 0 HA VAL A 77 97.057 -14.954 7.653 1.00 0.00 H new ATOM 0 HB VAL A 77 95.639 -14.996 10.346 1.00 0.00 H new ATOM 0 HG11 VAL A 77 93.600 -14.506 9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 77 94.791 -13.191 8.866 1.00 0.00 H new ATOM 0 HG13 VAL A 77 94.598 -14.365 7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 77 94.365 -16.876 9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 77 95.361 -16.748 7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 77 96.104 -17.247 9.387 1.00 0.00 H new ATOM 1317 N THR A 78 98.093 -12.925 9.924 1.00 0.00 N ATOM 1318 CA THR A 78 98.390 -11.530 10.229 1.00 0.00 C ATOM 1319 C THR A 78 98.612 -10.734 8.948 1.00 0.00 C ATOM 1320 O THR A 78 98.430 -9.516 8.922 1.00 0.00 O ATOM 1321 CB THR A 78 99.644 -11.451 11.104 1.00 0.00 C ATOM 1322 OG1 THR A 78 100.759 -11.932 10.364 1.00 0.00 O ATOM 1323 CG2 THR A 78 99.461 -12.310 12.359 1.00 0.00 C ATOM 0 H THR A 78 98.559 -13.601 10.530 1.00 0.00 H new ATOM 0 HA THR A 78 97.541 -11.103 10.762 1.00 0.00 H new ATOM 0 HB THR A 78 99.812 -10.416 11.401 1.00 0.00 H new ATOM 0 HG1 THR A 78 101.566 -11.882 10.918 1.00 0.00 H new ATOM 0 HG21 THR A 78 100.357 -12.248 12.976 1.00 0.00 H new ATOM 0 HG22 THR A 78 98.604 -11.947 12.927 1.00 0.00 H new ATOM 0 HG23 THR A 78 99.291 -13.347 12.069 1.00 0.00 H new ATOM 1331 N ALA A 79 99.006 -11.427 7.889 1.00 0.00 N ATOM 1332 CA ALA A 79 99.254 -10.776 6.606 1.00 0.00 C ATOM 1333 C ALA A 79 98.016 -10.013 6.137 1.00 0.00 C ATOM 1334 O ALA A 79 98.113 -9.064 5.353 1.00 0.00 O ATOM 1335 CB ALA A 79 99.627 -11.825 5.560 1.00 0.00 C ATOM 0 H ALA A 79 99.161 -12.435 7.890 1.00 0.00 H new ATOM 0 HA ALA A 79 100.075 -10.070 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 79 99.811 -11.336 4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 79 100.527 -12.352 5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 79 98.809 -12.537 5.451 1.00 0.00 H new ATOM 1341 N PHE A 80 96.860 -10.422 6.643 1.00 0.00 N ATOM 1342 CA PHE A 80 95.602 -9.775 6.295 1.00 0.00 C ATOM 1343 C PHE A 80 95.539 -8.365 6.871 1.00 0.00 C ATOM 1344 O PHE A 80 95.066 -7.438 6.213 1.00 0.00 O ATOM 1345 CB PHE A 80 94.414 -10.602 6.804 1.00 0.00 C ATOM 1346 CG PHE A 80 93.131 -10.053 6.223 1.00 0.00 C ATOM 1347 CD1 PHE A 80 92.905 -10.126 4.843 1.00 0.00 C ATOM 1348 CD2 PHE A 80 92.167 -9.477 7.061 1.00 0.00 C ATOM 1349 CE1 PHE A 80 91.716 -9.623 4.301 1.00 0.00 C ATOM 1350 CE2 PHE A 80 90.979 -8.973 6.517 1.00 0.00 C ATOM 1351 CZ PHE A 80 90.753 -9.047 5.137 1.00 0.00 C ATOM 0 H PHE A 80 96.767 -11.200 7.296 1.00 0.00 H new ATOM 0 HA PHE A 80 95.547 -9.708 5.208 1.00 0.00 H new ATOM 0 HB2 PHE A 80 94.536 -11.647 6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 80 94.375 -10.570 7.893 1.00 0.00 H new ATOM 0 HD1 PHE A 80 93.648 -10.570 4.197 1.00 0.00 H new ATOM 0 HD2 PHE A 80 92.340 -9.422 8.126 1.00 0.00 H new ATOM 0 HE1 PHE A 80 91.542 -9.680 3.237 1.00 0.00 H new ATOM 0 HE2 PHE A 80 90.237 -8.527 7.162 1.00 0.00 H new ATOM 0 HZ PHE A 80 89.836 -8.660 4.718 1.00 0.00 H new ATOM 1361 N SER A 81 96.016 -8.206 8.105 1.00 0.00 N ATOM 1362 CA SER A 81 96.006 -6.904 8.757 1.00 0.00 C ATOM 1363 C SER A 81 96.880 -5.913 8.004 1.00 0.00 C ATOM 1364 O SER A 81 96.511 -4.754 7.837 1.00 0.00 O ATOM 1365 CB SER A 81 96.509 -7.039 10.192 1.00 0.00 C ATOM 1366 OG SER A 81 95.714 -7.998 10.877 1.00 0.00 O ATOM 0 H SER A 81 96.411 -8.959 8.668 1.00 0.00 H new ATOM 0 HA SER A 81 94.982 -6.532 8.760 1.00 0.00 H new ATOM 0 HB2 SER A 81 97.555 -7.346 10.196 1.00 0.00 H new ATOM 0 HB3 SER A 81 96.457 -6.076 10.700 1.00 0.00 H new ATOM 0 HG SER A 81 96.034 -8.090 11.799 1.00 0.00 H new ATOM 1372 N TYR A 82 98.042 -6.373 7.555 1.00 0.00 N ATOM 1373 CA TYR A 82 98.957 -5.505 6.825 1.00 0.00 C ATOM 1374 C TYR A 82 98.288 -4.938 5.585 1.00 0.00 C ATOM 1375 O TYR A 82 98.360 -3.740 5.328 1.00 0.00 O ATOM 1376 CB TYR A 82 100.193 -6.291 6.399 1.00 0.00 C ATOM 1377 CG TYR A 82 101.167 -6.359 7.544 1.00 0.00 C ATOM 1378 CD1 TYR A 82 102.268 -5.495 7.565 1.00 0.00 C ATOM 1379 CD2 TYR A 82 100.976 -7.274 8.586 1.00 0.00 C ATOM 1380 CE1 TYR A 82 103.178 -5.547 8.627 1.00 0.00 C ATOM 1381 CE2 TYR A 82 101.885 -7.326 9.648 1.00 0.00 C ATOM 1382 CZ TYR A 82 102.987 -6.462 9.668 1.00 0.00 C ATOM 1383 OH TYR A 82 103.887 -6.517 10.715 1.00 0.00 O ATOM 0 H TYR A 82 98.370 -7.331 7.682 1.00 0.00 H new ATOM 0 HA TYR A 82 99.244 -4.686 7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 82 99.908 -7.297 6.090 1.00 0.00 H new ATOM 0 HB3 TYR A 82 100.661 -5.814 5.538 1.00 0.00 H new ATOM 0 HD1 TYR A 82 102.415 -4.788 6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 82 100.126 -7.940 8.570 1.00 0.00 H new ATOM 0 HE1 TYR A 82 104.028 -4.881 8.643 1.00 0.00 H new ATOM 0 HE2 TYR A 82 101.737 -8.032 10.452 1.00 0.00 H new ATOM 0 HH TYR A 82 103.606 -7.206 11.352 1.00 0.00 H new ATOM 1393 N TRP A 83 97.635 -5.798 4.817 1.00 0.00 N ATOM 1394 CA TRP A 83 96.964 -5.347 3.605 1.00 0.00 C ATOM 1395 C TRP A 83 95.966 -4.242 3.927 1.00 0.00 C ATOM 1396 O TRP A 83 95.952 -3.204 3.271 1.00 0.00 O ATOM 1397 CB TRP A 83 96.231 -6.519 2.951 1.00 0.00 C ATOM 1398 CG TRP A 83 95.384 -6.016 1.826 1.00 0.00 C ATOM 1399 CD1 TRP A 83 94.061 -5.745 1.912 1.00 0.00 C ATOM 1400 CD2 TRP A 83 95.774 -5.725 0.453 1.00 0.00 C ATOM 1401 NE1 TRP A 83 93.614 -5.307 0.678 1.00 0.00 N ATOM 1402 CE2 TRP A 83 94.633 -5.277 -0.254 1.00 0.00 C ATOM 1403 CE3 TRP A 83 96.995 -5.806 -0.242 1.00 0.00 C ATOM 1404 CZ2 TRP A 83 94.700 -4.922 -1.602 1.00 0.00 C ATOM 1405 CZ3 TRP A 83 97.066 -5.449 -1.598 1.00 0.00 C ATOM 1406 CH2 TRP A 83 95.921 -5.008 -2.277 1.00 0.00 C ATOM 0 H TRP A 83 97.555 -6.797 5.006 1.00 0.00 H new ATOM 0 HA TRP A 83 97.715 -4.956 2.919 1.00 0.00 H new ATOM 0 HB2 TRP A 83 96.950 -7.249 2.580 1.00 0.00 H new ATOM 0 HB3 TRP A 83 95.610 -7.029 3.687 1.00 0.00 H new ATOM 0 HD1 TRP A 83 93.454 -5.853 2.798 1.00 0.00 H new ATOM 0 HE1 TRP A 83 92.650 -5.039 0.481 1.00 0.00 H new ATOM 0 HE3 TRP A 83 97.883 -6.145 0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 93.815 -4.583 -2.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 98.008 -5.514 -2.121 1.00 0.00 H new ATOM 0 HH2 TRP A 83 95.983 -4.735 -3.320 1.00 0.00 H new ATOM 1417 N ASN A 84 95.137 -4.474 4.940 1.00 0.00 N ATOM 1418 CA ASN A 84 94.137 -3.489 5.348 1.00 0.00 C ATOM 1419 C ASN A 84 94.785 -2.229 5.925 1.00 0.00 C ATOM 1420 O ASN A 84 94.333 -1.109 5.666 1.00 0.00 O ATOM 1421 CB ASN A 84 93.199 -4.096 6.394 1.00 0.00 C ATOM 1422 CG ASN A 84 92.222 -5.060 5.729 1.00 0.00 C ATOM 1423 OD1 ASN A 84 92.065 -5.043 4.508 1.00 0.00 O ATOM 1424 ND2 ASN A 84 91.554 -5.907 6.464 1.00 0.00 N ATOM 0 H ASN A 84 95.136 -5.331 5.493 1.00 0.00 H new ATOM 0 HA ASN A 84 93.574 -3.208 4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 84 93.779 -4.621 7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 84 92.650 -3.304 6.904 1.00 0.00 H new ATOM 0 HD21 ASN A 84 90.900 -6.557 6.027 1.00 0.00 H new ATOM 0 HD22 ASN A 84 91.686 -5.919 7.475 1.00 0.00 H new ATOM 1431 N LEU A 85 95.841 -2.410 6.715 1.00 0.00 N ATOM 1432 CA LEU A 85 96.523 -1.286 7.327 1.00 0.00 C ATOM 1433 C LEU A 85 97.225 -0.436 6.278 1.00 0.00 C ATOM 1434 O LEU A 85 96.876 0.721 6.066 1.00 0.00 O ATOM 1435 CB LEU A 85 97.555 -1.810 8.329 1.00 0.00 C ATOM 1436 CG LEU A 85 98.255 -0.633 9.008 1.00 0.00 C ATOM 1437 CD1 LEU A 85 97.238 0.189 9.806 1.00 0.00 C ATOM 1438 CD2 LEU A 85 99.339 -1.163 9.949 1.00 0.00 C ATOM 0 H LEU A 85 96.237 -3.322 6.942 1.00 0.00 H new ATOM 0 HA LEU A 85 95.784 -0.665 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 85 97.066 -2.435 9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.287 -2.436 7.819 1.00 0.00 H new ATOM 0 HG LEU A 85 98.709 0.004 8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 85 97.744 1.026 10.287 1.00 0.00 H new ATOM 0 HD12 LEU A 85 96.469 0.568 9.133 1.00 0.00 H new ATOM 0 HD13 LEU A 85 96.777 -0.442 10.566 1.00 0.00 H new ATOM 0 HD21 LEU A 85 99.840 -0.326 10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.883 -1.802 10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 85 100.067 -1.739 9.378 1.00 0.00 H new ATOM 1450 N ILE A 86 98.223 -1.017 5.629 1.00 0.00 N ATOM 1451 CA ILE A 86 98.972 -0.294 4.615 1.00 0.00 C ATOM 1452 C ILE A 86 98.022 0.308 3.589 1.00 0.00 C ATOM 1453 O ILE A 86 98.292 1.373 3.012 1.00 0.00 O ATOM 1454 CB ILE A 86 99.979 -1.242 3.940 1.00 0.00 C ATOM 1455 CG1 ILE A 86 101.362 -1.036 4.571 1.00 0.00 C ATOM 1456 CG2 ILE A 86 100.067 -0.963 2.434 1.00 0.00 C ATOM 1457 CD1 ILE A 86 102.233 -2.259 4.310 1.00 0.00 C ATOM 0 H ILE A 86 98.530 -1.977 5.785 1.00 0.00 H new ATOM 0 HA ILE A 86 99.522 0.521 5.086 1.00 0.00 H new ATOM 0 HB ILE A 86 99.643 -2.269 4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 86 101.834 -0.146 4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 86 101.262 -0.871 5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 86 100.785 -1.645 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 86 99.088 -1.110 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 86 100.391 0.065 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 86 103.215 -2.109 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 86 101.764 -3.140 4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 86 102.344 -2.404 3.235 1.00 0.00 H new ATOM 1469 N LYS A 87 96.917 -0.386 3.363 1.00 0.00 N ATOM 1470 CA LYS A 87 95.930 0.061 2.392 1.00 0.00 C ATOM 1471 C LYS A 87 95.390 1.424 2.748 1.00 0.00 C ATOM 1472 O LYS A 87 95.222 2.273 1.875 1.00 0.00 O ATOM 1473 CB LYS A 87 94.767 -0.935 2.311 1.00 0.00 C ATOM 1474 CG LYS A 87 93.498 -0.216 1.829 1.00 0.00 C ATOM 1475 CD LYS A 87 92.448 -1.249 1.428 1.00 0.00 C ATOM 1476 CE LYS A 87 91.211 -0.524 0.897 1.00 0.00 C ATOM 1477 NZ LYS A 87 90.216 -1.525 0.421 1.00 0.00 N ATOM 0 H LYS A 87 96.682 -1.258 3.837 1.00 0.00 H new ATOM 0 HA LYS A 87 96.428 0.122 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 87 95.018 -1.746 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 87 94.592 -1.384 3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 87 93.109 0.426 2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 87 93.732 0.428 0.981 1.00 0.00 H new ATOM 0 HD2 LYS A 87 92.849 -1.916 0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 87 92.182 -1.868 2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 87 90.774 0.095 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 87 91.490 0.144 0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 89.374 -1.033 0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 90.636 -2.097 -0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 89.943 -2.145 1.210 1.00 0.00 H new ATOM 1491 N GLU A 88 95.123 1.649 4.025 1.00 0.00 N ATOM 1492 CA GLU A 88 94.612 2.928 4.462 1.00 0.00 C ATOM 1493 C GLU A 88 95.733 3.929 4.691 1.00 0.00 C ATOM 1494 O GLU A 88 95.496 5.130 4.773 1.00 0.00 O ATOM 1495 CB GLU A 88 93.814 2.715 5.752 1.00 0.00 C ATOM 1496 CG GLU A 88 94.682 2.944 7.006 1.00 0.00 C ATOM 1497 CD GLU A 88 94.770 4.433 7.325 1.00 0.00 C ATOM 1498 OE1 GLU A 88 95.877 4.919 7.492 1.00 0.00 O ATOM 1499 OE2 GLU A 88 93.730 5.067 7.386 1.00 0.00 O ATOM 0 H GLU A 88 95.252 0.964 4.769 1.00 0.00 H new ATOM 0 HA GLU A 88 93.970 3.340 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 88 92.963 3.396 5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 88 93.412 1.702 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 88 94.256 2.408 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 88 95.681 2.540 6.843 1.00 0.00 H new ATOM 1506 N LEU A 89 96.948 3.432 4.853 1.00 0.00 N ATOM 1507 CA LEU A 89 98.057 4.317 5.139 1.00 0.00 C ATOM 1508 C LEU A 89 98.246 5.300 4.002 1.00 0.00 C ATOM 1509 O LEU A 89 98.410 6.501 4.220 1.00 0.00 O ATOM 1510 CB LEU A 89 99.321 3.484 5.320 1.00 0.00 C ATOM 1511 CG LEU A 89 100.313 4.180 6.264 1.00 0.00 C ATOM 1512 CD1 LEU A 89 100.622 5.587 5.766 1.00 0.00 C ATOM 1513 CD2 LEU A 89 99.728 4.253 7.681 1.00 0.00 C ATOM 0 H LEU A 89 97.186 2.442 4.793 1.00 0.00 H new ATOM 0 HA LEU A 89 97.851 4.877 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 89 99.060 2.504 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 89 99.792 3.318 4.351 1.00 0.00 H new ATOM 0 HG LEU A 89 101.236 3.600 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 89 101.326 6.067 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 89 101.060 5.532 4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 89 99.701 6.169 5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 89 100.439 4.748 8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 89 98.796 4.818 7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 89 99.533 3.245 8.047 1.00 0.00 H new ATOM 1525 N ILE A 90 98.228 4.792 2.785 1.00 0.00 N ATOM 1526 CA ILE A 90 98.417 5.656 1.633 1.00 0.00 C ATOM 1527 C ILE A 90 97.277 6.666 1.519 1.00 0.00 C ATOM 1528 O ILE A 90 97.502 7.833 1.198 1.00 0.00 O ATOM 1529 CB ILE A 90 98.498 4.840 0.343 1.00 0.00 C ATOM 1530 CG1 ILE A 90 99.754 3.962 0.416 1.00 0.00 C ATOM 1531 CG2 ILE A 90 98.581 5.808 -0.869 1.00 0.00 C ATOM 1532 CD1 ILE A 90 100.018 3.326 -0.947 1.00 0.00 C ATOM 0 H ILE A 90 98.087 3.805 2.569 1.00 0.00 H new ATOM 0 HA ILE A 90 99.357 6.189 1.776 1.00 0.00 H new ATOM 0 HB ILE A 90 97.616 4.211 0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 90 100.612 4.562 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 90 99.624 3.186 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 90 98.639 5.231 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 90 97.693 6.440 -0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 90 99.469 6.433 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 90 100.911 2.703 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 90 99.164 2.712 -1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 90 100.168 4.109 -1.691 1.00 0.00 H new ATOM 1544 N ASP A 91 96.052 6.198 1.746 1.00 0.00 N ATOM 1545 CA ASP A 91 94.875 7.056 1.621 1.00 0.00 C ATOM 1546 C ASP A 91 95.144 8.432 2.213 1.00 0.00 C ATOM 1547 O ASP A 91 94.505 9.414 1.834 1.00 0.00 O ATOM 1548 CB ASP A 91 93.686 6.416 2.345 1.00 0.00 C ATOM 1549 CG ASP A 91 93.218 5.172 1.596 1.00 0.00 C ATOM 1550 OD1 ASP A 91 93.590 5.021 0.445 1.00 0.00 O ATOM 1551 OD2 ASP A 91 92.492 4.390 2.188 1.00 0.00 O ATOM 0 H ASP A 91 95.848 5.236 2.016 1.00 0.00 H new ATOM 0 HA ASP A 91 94.645 7.168 0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 91 93.971 6.150 3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 91 92.868 7.133 2.420 1.00 0.00 H new ATOM 1556 N LYS A 92 96.099 8.505 3.131 1.00 0.00 N ATOM 1557 CA LYS A 92 96.444 9.778 3.747 1.00 0.00 C ATOM 1558 C LYS A 92 97.020 10.733 2.707 1.00 0.00 C ATOM 1559 O LYS A 92 97.906 10.365 1.936 1.00 0.00 O ATOM 1560 CB LYS A 92 97.465 9.563 4.862 1.00 0.00 C ATOM 1561 CG LYS A 92 96.800 8.841 6.033 1.00 0.00 C ATOM 1562 CD LYS A 92 97.812 8.678 7.169 1.00 0.00 C ATOM 1563 CE LYS A 92 97.142 7.972 8.349 1.00 0.00 C ATOM 1564 NZ LYS A 92 98.133 7.790 9.447 1.00 0.00 N ATOM 0 H LYS A 92 96.642 7.708 3.462 1.00 0.00 H new ATOM 0 HA LYS A 92 95.537 10.214 4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 92 98.306 8.977 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 92 97.865 10.522 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 92 95.935 9.407 6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 92 96.435 7.865 5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 92 98.671 8.101 6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 92 98.187 9.653 7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 92 96.294 8.558 8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 92 96.751 7.005 8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 97.678 7.310 10.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 98.928 7.214 9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 98.485 8.719 9.754 1.00 0.00 H new ATOM 1578 N LYS A 93 96.508 11.959 2.691 1.00 0.00 N ATOM 1579 CA LYS A 93 96.971 12.962 1.738 1.00 0.00 C ATOM 1580 C LYS A 93 98.050 13.837 2.365 1.00 0.00 C ATOM 1581 O LYS A 93 98.702 14.626 1.681 1.00 0.00 O ATOM 1582 CB LYS A 93 95.792 13.836 1.293 1.00 0.00 C ATOM 1583 CG LYS A 93 94.685 12.967 0.678 1.00 0.00 C ATOM 1584 CD LYS A 93 95.027 12.621 -0.775 1.00 0.00 C ATOM 1585 CE LYS A 93 93.909 11.767 -1.370 1.00 0.00 C ATOM 1586 NZ LYS A 93 94.225 11.479 -2.796 1.00 0.00 N ATOM 0 H LYS A 93 95.776 12.281 3.324 1.00 0.00 H new ATOM 0 HA LYS A 93 97.394 12.452 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 93 95.398 14.388 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 93 96.131 14.573 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 93 94.566 12.052 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 93 93.733 13.496 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 93 95.152 13.534 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 93 95.974 12.082 -0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 93 93.808 10.836 -0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 93 92.955 12.289 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 93.468 10.897 -3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 94.301 12.373 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 95.127 10.965 -2.855 1.00 0.00 H new ATOM 1600 N GLU A 94 98.237 13.688 3.670 1.00 0.00 N ATOM 1601 CA GLU A 94 99.245 14.461 4.383 1.00 0.00 C ATOM 1602 C GLU A 94 100.543 13.669 4.497 1.00 0.00 C ATOM 1603 O GLU A 94 101.349 13.906 5.397 1.00 0.00 O ATOM 1604 CB GLU A 94 98.735 14.824 5.777 1.00 0.00 C ATOM 1605 CG GLU A 94 97.606 15.852 5.658 1.00 0.00 C ATOM 1606 CD GLU A 94 97.002 16.121 7.031 1.00 0.00 C ATOM 1607 OE1 GLU A 94 97.495 15.558 7.995 1.00 0.00 O ATOM 1608 OE2 GLU A 94 96.047 16.878 7.099 1.00 0.00 O ATOM 0 H GLU A 94 97.706 13.042 4.254 1.00 0.00 H new ATOM 0 HA GLU A 94 99.441 15.375 3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 94 98.375 13.931 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 94 99.548 15.230 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 94 97.990 16.779 5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 94 96.837 15.484 4.979 1.00 0.00 H new ATOM 1615 N VAL A 95 100.738 12.728 3.577 1.00 0.00 N ATOM 1616 CA VAL A 95 101.942 11.905 3.580 1.00 0.00 C ATOM 1617 C VAL A 95 103.183 12.776 3.423 1.00 0.00 C ATOM 1618 O VAL A 95 103.147 13.808 2.754 1.00 0.00 O ATOM 1619 CB VAL A 95 101.884 10.872 2.449 1.00 0.00 C ATOM 1620 CG1 VAL A 95 103.193 10.083 2.416 1.00 0.00 C ATOM 1621 CG2 VAL A 95 100.722 9.915 2.699 1.00 0.00 C ATOM 0 H VAL A 95 100.082 12.518 2.825 1.00 0.00 H new ATOM 0 HA VAL A 95 101.998 11.382 4.535 1.00 0.00 H new ATOM 0 HB VAL A 95 101.740 11.380 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 95 103.154 9.348 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 95 104.025 10.766 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 95 103.334 9.572 3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 95 100.678 9.179 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 95 100.869 9.405 3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 95 99.788 10.476 2.728 1.00 0.00 H new ATOM 1631 N ASN A 96 104.274 12.357 4.055 1.00 0.00 N ATOM 1632 CA ASN A 96 105.524 13.110 3.992 1.00 0.00 C ATOM 1633 C ASN A 96 105.751 13.675 2.589 1.00 0.00 C ATOM 1634 O ASN A 96 105.138 13.218 1.622 1.00 0.00 O ATOM 1635 CB ASN A 96 106.697 12.204 4.374 1.00 0.00 C ATOM 1636 CG ASN A 96 107.245 12.616 5.734 1.00 0.00 C ATOM 1637 OD1 ASN A 96 108.446 12.848 5.882 1.00 0.00 O ATOM 1638 ND2 ASN A 96 106.429 12.717 6.746 1.00 0.00 N ATOM 0 H ASN A 96 104.320 11.505 4.614 1.00 0.00 H new ATOM 0 HA ASN A 96 105.458 13.940 4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 96 106.371 11.164 4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 96 107.481 12.271 3.620 1.00 0.00 H new ATOM 0 HD21 ASN A 96 106.785 12.989 7.663 1.00 0.00 H new ATOM 0 HD22 ASN A 96 105.435 12.524 6.621 1.00 0.00 H new ATOM 1645 N PRO A 97 106.623 14.646 2.459 1.00 0.00 N ATOM 1646 CA PRO A 97 106.942 15.270 1.146 1.00 0.00 C ATOM 1647 C PRO A 97 107.032 14.249 0.031 1.00 0.00 C ATOM 1648 O PRO A 97 106.888 14.592 -1.142 1.00 0.00 O ATOM 1649 CB PRO A 97 108.285 15.951 1.387 1.00 0.00 C ATOM 1650 CG PRO A 97 108.336 16.245 2.852 1.00 0.00 C ATOM 1651 CD PRO A 97 107.394 15.261 3.552 1.00 0.00 C ATOM 0 HA PRO A 97 106.165 15.962 0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 97 109.110 15.304 1.089 1.00 0.00 H new ATOM 0 HB3 PRO A 97 108.370 16.866 0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 97 109.353 16.137 3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 97 108.031 17.273 3.048 1.00 0.00 H new ATOM 0 HD2 PRO A 97 107.950 14.512 4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 97 106.741 15.772 4.259 1.00 0.00 H new ATOM 1659 N GLN A 98 107.268 12.994 0.387 1.00 0.00 N ATOM 1660 CA GLN A 98 107.366 11.938 -0.612 1.00 0.00 C ATOM 1661 C GLN A 98 106.248 12.068 -1.631 1.00 0.00 C ATOM 1662 O GLN A 98 106.305 11.465 -2.690 1.00 0.00 O ATOM 1663 CB GLN A 98 107.288 10.575 0.102 1.00 0.00 C ATOM 1664 CG GLN A 98 106.030 9.801 -0.329 1.00 0.00 C ATOM 1665 CD GLN A 98 105.835 8.560 0.534 1.00 0.00 C ATOM 1666 OE1 GLN A 98 106.760 8.105 1.208 1.00 0.00 O ATOM 1667 NE2 GLN A 98 104.667 7.980 0.553 1.00 0.00 N ATOM 0 H GLN A 98 107.394 12.684 1.350 1.00 0.00 H new ATOM 0 HA GLN A 98 108.315 12.020 -1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 98 108.177 9.988 -0.128 1.00 0.00 H new ATOM 0 HB3 GLN A 98 107.275 10.726 1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 98 105.155 10.446 -0.249 1.00 0.00 H new ATOM 0 HG3 GLN A 98 106.117 9.511 -1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 98 103.901 8.357 -0.005 1.00 0.00 H new ATOM 0 HE22 GLN A 98 104.519 7.149 1.126 1.00 0.00 H new ATOM 1676 N VAL A 99 105.225 12.843 -1.296 1.00 0.00 N ATOM 1677 CA VAL A 99 104.092 13.010 -2.197 1.00 0.00 C ATOM 1678 C VAL A 99 104.553 13.577 -3.536 1.00 0.00 C ATOM 1679 O VAL A 99 104.158 13.089 -4.594 1.00 0.00 O ATOM 1680 CB VAL A 99 103.069 13.950 -1.562 1.00 0.00 C ATOM 1681 CG1 VAL A 99 101.984 14.294 -2.583 1.00 0.00 C ATOM 1682 CG2 VAL A 99 102.434 13.261 -0.353 1.00 0.00 C ATOM 0 H VAL A 99 105.156 13.360 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 99 103.634 12.036 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 99 103.565 14.867 -1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 99 101.255 14.965 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 99 102.438 14.783 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 99 101.484 13.380 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 99 101.703 13.928 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 99 101.938 12.345 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 99 103.208 13.018 0.375 1.00 0.00 H new ATOM 1692 N MET A 100 105.391 14.600 -3.484 1.00 0.00 N ATOM 1693 CA MET A 100 105.900 15.211 -4.703 1.00 0.00 C ATOM 1694 C MET A 100 106.750 14.214 -5.487 1.00 0.00 C ATOM 1695 O MET A 100 106.672 14.142 -6.713 1.00 0.00 O ATOM 1696 CB MET A 100 106.735 16.443 -4.350 1.00 0.00 C ATOM 1697 CG MET A 100 107.226 17.118 -5.631 1.00 0.00 C ATOM 1698 SD MET A 100 108.054 18.671 -5.207 1.00 0.00 S ATOM 1699 CE MET A 100 109.424 17.953 -4.266 1.00 0.00 C ATOM 0 H MET A 100 105.731 15.022 -2.620 1.00 0.00 H new ATOM 0 HA MET A 100 105.056 15.511 -5.325 1.00 0.00 H new ATOM 0 HB2 MET A 100 106.139 17.143 -3.765 1.00 0.00 H new ATOM 0 HB3 MET A 100 107.585 16.153 -3.732 1.00 0.00 H new ATOM 0 HG2 MET A 100 107.913 16.459 -6.163 1.00 0.00 H new ATOM 0 HG3 MET A 100 106.387 17.310 -6.299 1.00 0.00 H new ATOM 0 HE1 MET A 100 110.268 18.643 -4.268 1.00 0.00 H new ATOM 0 HE2 MET A 100 109.105 17.773 -3.239 1.00 0.00 H new ATOM 0 HE3 MET A 100 109.725 17.010 -4.723 1.00 0.00 H new ATOM 1709 N ALA A 101 107.563 13.451 -4.765 1.00 0.00 N ATOM 1710 CA ALA A 101 108.433 12.458 -5.386 1.00 0.00 C ATOM 1711 C ALA A 101 107.641 11.200 -5.747 1.00 0.00 C ATOM 1712 O ALA A 101 108.077 10.394 -6.564 1.00 0.00 O ATOM 1713 CB ALA A 101 109.574 12.098 -4.420 1.00 0.00 C ATOM 0 H ALA A 101 107.638 13.501 -3.749 1.00 0.00 H new ATOM 0 HA ALA A 101 108.849 12.879 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 101 110.224 11.356 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 101 110.152 12.993 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 101 109.156 11.689 -3.500 1.00 0.00 H new ATOM 1719 N ALA A 102 106.482 11.058 -5.120 1.00 0.00 N ATOM 1720 CA ALA A 102 105.616 9.905 -5.360 1.00 0.00 C ATOM 1721 C ALA A 102 104.974 9.996 -6.740 1.00 0.00 C ATOM 1722 O ALA A 102 104.938 9.016 -7.482 1.00 0.00 O ATOM 1723 CB ALA A 102 104.543 9.810 -4.275 1.00 0.00 C ATOM 0 H ALA A 102 106.117 11.725 -4.441 1.00 0.00 H new ATOM 0 HA ALA A 102 106.225 9.002 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 102 103.906 8.947 -4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 102 105.019 9.699 -3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 102 103.937 10.716 -4.282 1.00 0.00 H new ATOM 1729 N VAL A 103 104.463 11.177 -7.067 1.00 0.00 N ATOM 1730 CA VAL A 103 103.813 11.394 -8.357 1.00 0.00 C ATOM 1731 C VAL A 103 104.776 11.066 -9.490 1.00 0.00 C ATOM 1732 O VAL A 103 104.387 10.473 -10.497 1.00 0.00 O ATOM 1733 CB VAL A 103 103.356 12.851 -8.478 1.00 0.00 C ATOM 1734 CG1 VAL A 103 102.932 13.143 -9.922 1.00 0.00 C ATOM 1735 CG2 VAL A 103 102.164 13.103 -7.550 1.00 0.00 C ATOM 0 H VAL A 103 104.485 11.997 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 103 102.944 10.739 -8.424 1.00 0.00 H new ATOM 0 HB VAL A 103 104.183 13.503 -8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 103 102.608 14.180 -10.003 1.00 0.00 H new ATOM 0 HG12 VAL A 103 103.776 12.973 -10.590 1.00 0.00 H new ATOM 0 HG13 VAL A 103 102.110 12.483 -10.200 1.00 0.00 H new ATOM 0 HG21 VAL A 103 101.845 14.141 -7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 103 101.341 12.444 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 103 102.457 12.903 -6.519 1.00 0.00 H new ATOM 1745 N ALA A 104 106.029 11.468 -9.328 1.00 0.00 N ATOM 1746 CA ALA A 104 107.036 11.218 -10.351 1.00 0.00 C ATOM 1747 C ALA A 104 107.028 9.751 -10.769 1.00 0.00 C ATOM 1748 O ALA A 104 107.109 9.437 -11.955 1.00 0.00 O ATOM 1749 CB ALA A 104 108.420 11.577 -9.813 1.00 0.00 C ATOM 0 H ALA A 104 106.371 11.965 -8.505 1.00 0.00 H new ATOM 0 HA ALA A 104 106.803 11.835 -11.219 1.00 0.00 H new ATOM 0 HB1 ALA A 104 109.169 11.388 -10.582 1.00 0.00 H new ATOM 0 HB2 ALA A 104 108.441 12.631 -9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 104 108.639 10.968 -8.936 1.00 0.00 H new ATOM 1755 N GLN A 105 106.932 8.857 -9.786 1.00 0.00 N ATOM 1756 CA GLN A 105 106.917 7.422 -10.064 1.00 0.00 C ATOM 1757 C GLN A 105 108.165 7.016 -10.844 1.00 0.00 C ATOM 1758 O GLN A 105 109.216 6.755 -10.258 1.00 0.00 O ATOM 1759 CB GLN A 105 105.663 7.052 -10.868 1.00 0.00 C ATOM 1760 CG GLN A 105 104.412 7.294 -10.019 1.00 0.00 C ATOM 1761 CD GLN A 105 104.380 6.320 -8.848 1.00 0.00 C ATOM 1762 OE1 GLN A 105 104.690 5.140 -9.015 1.00 0.00 O ATOM 1763 NE2 GLN A 105 104.017 6.739 -7.666 1.00 0.00 N ATOM 0 H GLN A 105 106.864 9.098 -8.797 1.00 0.00 H new ATOM 0 HA GLN A 105 106.905 6.888 -9.114 1.00 0.00 H new ATOM 0 HB2 GLN A 105 105.616 7.648 -11.780 1.00 0.00 H new ATOM 0 HB3 GLN A 105 105.710 6.006 -11.172 1.00 0.00 H new ATOM 0 HG2 GLN A 105 104.406 8.320 -9.650 1.00 0.00 H new ATOM 0 HG3 GLN A 105 103.518 7.170 -10.630 1.00 0.00 H new ATOM 0 HE21 GLN A 105 103.760 7.716 -7.528 1.00 0.00 H new ATOM 0 HE22 GLN A 105 103.990 6.089 -6.880 1.00 0.00 H new ATOM 1772 N THR A 106 108.035 6.967 -12.166 1.00 0.00 N ATOM 1773 CA THR A 106 109.152 6.593 -13.028 1.00 0.00 C ATOM 1774 C THR A 106 109.431 7.685 -14.057 1.00 0.00 C ATOM 1775 O THR A 106 110.195 7.478 -15.001 1.00 0.00 O ATOM 1776 CB THR A 106 108.847 5.274 -13.741 1.00 0.00 C ATOM 1777 OG1 THR A 106 107.647 5.406 -14.491 1.00 0.00 O ATOM 1778 CG2 THR A 106 108.689 4.159 -12.705 1.00 0.00 C ATOM 0 H THR A 106 107.170 7.181 -12.663 1.00 0.00 H new ATOM 0 HA THR A 106 110.038 6.469 -12.405 1.00 0.00 H new ATOM 0 HB THR A 106 109.667 5.026 -14.415 1.00 0.00 H new ATOM 0 HG1 THR A 106 107.453 4.562 -14.949 1.00 0.00 H new ATOM 0 HG21 THR A 106 108.472 3.219 -13.212 1.00 0.00 H new ATOM 0 HG22 THR A 106 109.613 4.059 -12.135 1.00 0.00 H new ATOM 0 HG23 THR A 106 107.870 4.404 -12.029 1.00 0.00 H new ATOM 1786 N GLU A 107 108.805 8.843 -13.874 1.00 0.00 N ATOM 1787 CA GLU A 107 108.993 9.955 -14.799 1.00 0.00 C ATOM 1788 C GLU A 107 109.186 11.259 -14.031 1.00 0.00 C ATOM 1789 O GLU A 107 108.559 11.477 -12.995 1.00 0.00 O ATOM 1790 CB GLU A 107 107.775 10.080 -15.711 1.00 0.00 C ATOM 1791 CG GLU A 107 107.646 8.810 -16.557 1.00 0.00 C ATOM 1792 CD GLU A 107 106.383 8.874 -17.409 1.00 0.00 C ATOM 1793 OE1 GLU A 107 105.694 9.878 -17.338 1.00 0.00 O ATOM 1794 OE2 GLU A 107 106.120 7.915 -18.116 1.00 0.00 O ATOM 0 H GLU A 107 108.168 9.035 -13.101 1.00 0.00 H new ATOM 0 HA GLU A 107 109.882 9.761 -15.399 1.00 0.00 H new ATOM 0 HB2 GLU A 107 106.874 10.228 -15.116 1.00 0.00 H new ATOM 0 HB3 GLU A 107 107.877 10.952 -16.356 1.00 0.00 H new ATOM 0 HG2 GLU A 107 108.521 8.700 -17.198 1.00 0.00 H new ATOM 0 HG3 GLU A 107 107.613 7.934 -15.909 1.00 0.00 H new ATOM 1801 N GLU A 108 110.053 12.123 -14.548 1.00 0.00 N ATOM 1802 CA GLU A 108 110.311 13.402 -13.900 1.00 0.00 C ATOM 1803 C GLU A 108 109.067 14.280 -13.956 1.00 0.00 C ATOM 1804 O GLU A 108 108.518 14.526 -15.030 1.00 0.00 O ATOM 1805 CB GLU A 108 111.476 14.111 -14.596 1.00 0.00 C ATOM 1806 CG GLU A 108 112.770 13.337 -14.338 1.00 0.00 C ATOM 1807 CD GLU A 108 113.917 13.966 -15.122 1.00 0.00 C ATOM 1808 OE1 GLU A 108 115.024 13.459 -15.024 1.00 0.00 O ATOM 1809 OE2 GLU A 108 113.673 14.941 -15.814 1.00 0.00 O ATOM 0 H GLU A 108 110.583 11.963 -15.404 1.00 0.00 H new ATOM 0 HA GLU A 108 110.570 13.222 -12.857 1.00 0.00 H new ATOM 0 HB2 GLU A 108 111.287 14.178 -15.667 1.00 0.00 H new ATOM 0 HB3 GLU A 108 111.569 15.131 -14.224 1.00 0.00 H new ATOM 0 HG2 GLU A 108 113.001 13.342 -13.273 1.00 0.00 H new ATOM 0 HG3 GLU A 108 112.645 12.295 -14.632 1.00 0.00 H new ATOM 1816 N ILE A 109 108.627 14.748 -12.796 1.00 0.00 N ATOM 1817 CA ILE A 109 107.443 15.593 -12.728 1.00 0.00 C ATOM 1818 C ILE A 109 107.579 16.780 -13.680 1.00 0.00 C ATOM 1819 O ILE A 109 106.588 17.279 -14.212 1.00 0.00 O ATOM 1820 CB ILE A 109 107.242 16.092 -11.283 1.00 0.00 C ATOM 1821 CG1 ILE A 109 108.505 16.836 -10.811 1.00 0.00 C ATOM 1822 CG2 ILE A 109 106.981 14.901 -10.345 1.00 0.00 C ATOM 1823 CD1 ILE A 109 108.228 17.545 -9.483 1.00 0.00 C ATOM 0 H ILE A 109 109.068 14.559 -11.896 1.00 0.00 H new ATOM 0 HA ILE A 109 106.574 15.007 -13.029 1.00 0.00 H new ATOM 0 HB ILE A 109 106.386 16.766 -11.260 1.00 0.00 H new ATOM 0 HG12 ILE A 109 109.329 16.132 -10.692 1.00 0.00 H new ATOM 0 HG13 ILE A 109 108.812 17.562 -11.564 1.00 0.00 H new ATOM 0 HG21 ILE A 109 106.840 15.264 -9.327 1.00 0.00 H new ATOM 0 HG22 ILE A 109 106.085 14.372 -10.669 1.00 0.00 H new ATOM 0 HG23 ILE A 109 107.833 14.222 -10.374 1.00 0.00 H new ATOM 0 HD11 ILE A 109 109.126 18.069 -9.156 1.00 0.00 H new ATOM 0 HD12 ILE A 109 107.418 18.262 -9.615 1.00 0.00 H new ATOM 0 HD13 ILE A 109 107.943 16.810 -8.731 1.00 0.00 H new ATOM 1835 N LEU A 110 108.813 17.222 -13.890 1.00 0.00 N ATOM 1836 CA LEU A 110 109.071 18.346 -14.779 1.00 0.00 C ATOM 1837 C LEU A 110 108.659 17.996 -16.203 1.00 0.00 C ATOM 1838 O LEU A 110 108.117 18.829 -16.928 1.00 0.00 O ATOM 1839 CB LEU A 110 110.556 18.715 -14.741 1.00 0.00 C ATOM 1840 CG LEU A 110 110.986 18.954 -13.291 1.00 0.00 C ATOM 1841 CD1 LEU A 110 112.482 19.262 -13.245 1.00 0.00 C ATOM 1842 CD2 LEU A 110 110.204 20.137 -12.704 1.00 0.00 C ATOM 0 H LEU A 110 109.646 16.821 -13.459 1.00 0.00 H new ATOM 0 HA LEU A 110 108.484 19.201 -14.442 1.00 0.00 H new ATOM 0 HB2 LEU A 110 111.152 17.915 -15.181 1.00 0.00 H new ATOM 0 HB3 LEU A 110 110.735 19.610 -15.337 1.00 0.00 H new ATOM 0 HG LEU A 110 110.779 18.059 -12.705 1.00 0.00 H new ATOM 0 HD11 LEU A 110 112.787 19.432 -12.212 1.00 0.00 H new ATOM 0 HD12 LEU A 110 113.040 18.420 -13.654 1.00 0.00 H new ATOM 0 HD13 LEU A 110 112.688 20.155 -13.836 1.00 0.00 H new ATOM 0 HD21 LEU A 110 110.514 20.302 -11.672 1.00 0.00 H new ATOM 0 HD22 LEU A 110 110.405 21.033 -13.291 1.00 0.00 H new ATOM 0 HD23 LEU A 110 109.137 19.917 -12.731 1.00 0.00 H new ATOM 1854 N LYS A 111 108.923 16.754 -16.593 1.00 0.00 N ATOM 1855 CA LYS A 111 108.579 16.295 -17.933 1.00 0.00 C ATOM 1856 C LYS A 111 107.085 15.998 -18.031 1.00 0.00 C ATOM 1857 O LYS A 111 106.640 15.304 -18.944 1.00 0.00 O ATOM 1858 CB LYS A 111 109.383 15.037 -18.282 1.00 0.00 C ATOM 1859 CG LYS A 111 109.495 14.896 -19.806 1.00 0.00 C ATOM 1860 CD LYS A 111 110.398 13.711 -20.144 1.00 0.00 C ATOM 1861 CE LYS A 111 110.513 13.582 -21.663 1.00 0.00 C ATOM 1862 NZ LYS A 111 111.389 12.426 -21.998 1.00 0.00 N ATOM 0 H LYS A 111 109.371 16.051 -16.005 1.00 0.00 H new ATOM 0 HA LYS A 111 108.826 17.086 -18.642 1.00 0.00 H new ATOM 0 HB2 LYS A 111 110.377 15.096 -17.839 1.00 0.00 H new ATOM 0 HB3 LYS A 111 108.898 14.156 -17.861 1.00 0.00 H new ATOM 0 HG2 LYS A 111 108.507 14.749 -20.242 1.00 0.00 H new ATOM 0 HG3 LYS A 111 109.901 15.811 -20.237 1.00 0.00 H new ATOM 0 HD2 LYS A 111 111.385 13.854 -19.704 1.00 0.00 H new ATOM 0 HD3 LYS A 111 109.989 12.794 -19.719 1.00 0.00 H new ATOM 0 HE2 LYS A 111 109.525 13.443 -22.103 1.00 0.00 H new ATOM 0 HE3 LYS A 111 110.924 14.498 -22.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 111.468 12.338 -23.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 112.334 12.577 -21.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 110.978 11.554 -21.606 1.00 0.00 H new ATOM 1876 N SER A 112 106.315 16.524 -17.087 1.00 0.00 N ATOM 1877 CA SER A 112 104.874 16.301 -17.087 1.00 0.00 C ATOM 1878 C SER A 112 104.245 16.830 -18.370 1.00 0.00 C ATOM 1879 O SER A 112 103.428 16.157 -18.998 1.00 0.00 O ATOM 1880 CB SER A 112 104.245 17.001 -15.885 1.00 0.00 C ATOM 1881 OG SER A 112 102.838 17.081 -16.070 1.00 0.00 O ATOM 0 H SER A 112 106.658 17.102 -16.320 1.00 0.00 H new ATOM 0 HA SER A 112 104.691 15.228 -17.026 1.00 0.00 H new ATOM 0 HB2 SER A 112 104.472 16.453 -14.971 1.00 0.00 H new ATOM 0 HB3 SER A 112 104.666 18.000 -15.771 1.00 0.00 H new ATOM 0 HG SER A 112 102.432 17.529 -15.299 1.00 0.00 H new ATOM 1887 N ASN A 113 104.635 18.038 -18.755 1.00 0.00 N ATOM 1888 CA ASN A 113 104.105 18.649 -19.969 1.00 0.00 C ATOM 1889 C ASN A 113 104.527 17.847 -21.193 1.00 0.00 C ATOM 1890 O ASN A 113 104.715 16.632 -21.116 1.00 0.00 O ATOM 1891 CB ASN A 113 104.615 20.085 -20.100 1.00 0.00 C ATOM 1892 CG ASN A 113 104.304 20.867 -18.831 1.00 0.00 C ATOM 1893 OD1 ASN A 113 103.367 20.445 -18.028 1.00 0.00 O flip ATOM 1894 ND2 ASN A 113 104.933 21.892 -18.562 1.00 0.00 N flip ATOM 0 H ASN A 113 105.311 18.611 -18.250 1.00 0.00 H new ATOM 0 HA ASN A 113 103.017 18.656 -19.905 1.00 0.00 H new ATOM 0 HB2 ASN A 113 105.690 20.083 -20.281 1.00 0.00 H new ATOM 0 HB3 ASN A 113 104.148 20.568 -20.958 1.00 0.00 H new ATOM 0 HD21 ASN A 113 105.666 22.221 -19.191 1.00 0.00 H new ATOM 0 HD22 ASN A 113 104.721 22.412 -17.710 1.00 0.00 H new ATOM 1901 N SER A 114 104.673 18.531 -22.322 1.00 0.00 N ATOM 1902 CA SER A 114 105.074 17.866 -23.555 1.00 0.00 C ATOM 1903 C SER A 114 106.453 17.236 -23.397 1.00 0.00 C ATOM 1904 O SER A 114 106.675 16.094 -23.801 1.00 0.00 O ATOM 1905 CB SER A 114 105.104 18.870 -24.710 1.00 0.00 C ATOM 1906 OG SER A 114 105.461 18.197 -25.910 1.00 0.00 O ATOM 0 H SER A 114 104.521 19.536 -22.409 1.00 0.00 H new ATOM 0 HA SER A 114 104.347 17.083 -23.774 1.00 0.00 H new ATOM 0 HB2 SER A 114 104.128 19.343 -24.821 1.00 0.00 H new ATOM 0 HB3 SER A 114 105.820 19.664 -24.498 1.00 0.00 H new ATOM 0 HG SER A 114 105.479 18.838 -26.651 1.00 0.00 H new ATOM 1912 N GLN A 115 107.381 17.989 -22.813 1.00 0.00 N ATOM 1913 CA GLN A 115 108.740 17.496 -22.612 1.00 0.00 C ATOM 1914 C GLN A 115 109.332 18.074 -21.328 1.00 0.00 C ATOM 1915 O GLN A 115 108.608 18.582 -20.472 1.00 0.00 O ATOM 1916 CB GLN A 115 109.628 17.879 -23.804 1.00 0.00 C ATOM 1917 CG GLN A 115 109.172 17.124 -25.060 1.00 0.00 C ATOM 1918 CD GLN A 115 110.067 17.476 -26.243 1.00 0.00 C ATOM 1919 OE1 GLN A 115 110.043 18.608 -26.727 1.00 0.00 O ATOM 1920 NE2 GLN A 115 110.859 16.566 -26.742 1.00 0.00 N ATOM 0 H GLN A 115 107.219 18.937 -22.473 1.00 0.00 H new ATOM 0 HA GLN A 115 108.701 16.410 -22.529 1.00 0.00 H new ATOM 0 HB2 GLN A 115 109.576 18.954 -23.977 1.00 0.00 H new ATOM 0 HB3 GLN A 115 110.669 17.641 -23.584 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.204 16.050 -24.878 1.00 0.00 H new ATOM 0 HG3 GLN A 115 108.137 17.378 -25.290 1.00 0.00 H new ATOM 0 HE21 GLN A 115 110.877 15.629 -26.339 1.00 0.00 H new ATOM 0 HE22 GLN A 115 111.460 16.792 -27.535 1.00 0.00 H new ATOM 1929 N THR A 116 110.654 17.990 -21.200 1.00 0.00 N ATOM 1930 CA THR A 116 111.336 18.503 -20.017 1.00 0.00 C ATOM 1931 C THR A 116 111.260 20.025 -19.981 1.00 0.00 C ATOM 1932 O THR A 116 110.790 20.656 -20.926 1.00 0.00 O ATOM 1933 CB THR A 116 112.803 18.067 -20.026 1.00 0.00 C ATOM 1934 OG1 THR A 116 113.398 18.440 -21.261 1.00 0.00 O ATOM 1935 CG2 THR A 116 112.890 16.549 -19.860 1.00 0.00 C ATOM 0 H THR A 116 111.271 17.574 -21.898 1.00 0.00 H new ATOM 0 HA THR A 116 110.844 18.099 -19.132 1.00 0.00 H new ATOM 0 HB THR A 116 113.329 18.552 -19.204 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.338 18.163 -21.268 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.936 16.242 -19.867 1.00 0.00 H new ATOM 0 HG22 THR A 116 112.433 16.260 -18.914 1.00 0.00 H new ATOM 0 HG23 THR A 116 112.363 16.062 -20.681 1.00 0.00 H new ATOM 1943 N ASP A 117 111.721 20.606 -18.880 1.00 0.00 N ATOM 1944 CA ASP A 117 111.697 22.055 -18.723 1.00 0.00 C ATOM 1945 C ASP A 117 112.661 22.718 -19.701 1.00 0.00 C ATOM 1946 O ASP A 117 112.743 23.944 -19.774 1.00 0.00 O ATOM 1947 CB ASP A 117 112.074 22.432 -17.286 1.00 0.00 C ATOM 1948 CG ASP A 117 110.925 22.101 -16.338 1.00 0.00 C ATOM 1949 OD1 ASP A 117 111.159 22.079 -15.141 1.00 0.00 O ATOM 1950 OD2 ASP A 117 109.827 21.883 -16.823 1.00 0.00 O ATOM 0 H ASP A 117 112.114 20.099 -18.087 1.00 0.00 H new ATOM 0 HA ASP A 117 110.688 22.408 -18.936 1.00 0.00 H new ATOM 0 HB2 ASP A 117 112.972 21.893 -16.984 1.00 0.00 H new ATOM 0 HB3 ASP A 117 112.307 23.495 -17.230 1.00 0.00 H new ATOM 1955 N LEU A 118 113.388 21.898 -20.451 1.00 0.00 N ATOM 1956 CA LEU A 118 114.345 22.414 -21.422 1.00 0.00 C ATOM 1957 C LEU A 118 113.646 22.724 -22.741 1.00 0.00 C ATOM 1958 O LEU A 118 114.288 23.098 -23.722 1.00 0.00 O ATOM 1959 CB LEU A 118 115.450 21.383 -21.660 1.00 0.00 C ATOM 1960 CG LEU A 118 116.131 21.045 -20.330 1.00 0.00 C ATOM 1961 CD1 LEU A 118 117.201 19.977 -20.559 1.00 0.00 C ATOM 1962 CD2 LEU A 118 116.784 22.301 -19.741 1.00 0.00 C ATOM 0 H LEU A 118 113.334 20.880 -20.406 1.00 0.00 H new ATOM 0 HA LEU A 118 114.782 23.331 -21.027 1.00 0.00 H new ATOM 0 HB2 LEU A 118 115.030 20.481 -22.105 1.00 0.00 H new ATOM 0 HB3 LEU A 118 116.182 21.776 -22.366 1.00 0.00 H new ATOM 0 HG LEU A 118 115.382 20.670 -19.633 1.00 0.00 H new ATOM 0 HD11 LEU A 118 117.685 19.738 -19.612 1.00 0.00 H new ATOM 0 HD12 LEU A 118 116.737 19.079 -20.967 1.00 0.00 H new ATOM 0 HD13 LEU A 118 117.945 20.352 -21.262 1.00 0.00 H new ATOM 0 HD21 LEU A 118 117.266 22.051 -18.796 1.00 0.00 H new ATOM 0 HD22 LEU A 118 117.529 22.684 -20.438 1.00 0.00 H new ATOM 0 HD23 LEU A 118 116.022 23.061 -19.570 1.00 0.00 H new ATOM 1974 N GLU A 119 112.326 22.562 -22.760 1.00 0.00 N ATOM 1975 CA GLU A 119 111.556 22.823 -23.970 1.00 0.00 C ATOM 1976 C GLU A 119 111.706 24.282 -24.393 1.00 0.00 C ATOM 1977 O GLU A 119 111.886 24.580 -25.573 1.00 0.00 O ATOM 1978 CB GLU A 119 110.076 22.514 -23.724 1.00 0.00 C ATOM 1979 CG GLU A 119 109.306 22.579 -25.047 1.00 0.00 C ATOM 1980 CD GLU A 119 109.717 21.413 -25.940 1.00 0.00 C ATOM 1981 OE1 GLU A 119 110.414 20.540 -25.450 1.00 0.00 O ATOM 1982 OE2 GLU A 119 109.329 21.408 -27.097 1.00 0.00 O ATOM 0 H GLU A 119 111.773 22.255 -21.960 1.00 0.00 H new ATOM 0 HA GLU A 119 111.935 22.182 -24.766 1.00 0.00 H new ATOM 0 HB2 GLU A 119 109.971 21.524 -23.279 1.00 0.00 H new ATOM 0 HB3 GLU A 119 109.659 23.228 -23.014 1.00 0.00 H new ATOM 0 HG2 GLU A 119 108.233 22.543 -24.857 1.00 0.00 H new ATOM 0 HG3 GLU A 119 109.509 23.524 -25.551 1.00 0.00 H new ATOM 1989 N HIS A 120 111.629 25.187 -23.421 1.00 0.00 N ATOM 1990 CA HIS A 120 111.756 26.612 -23.706 1.00 0.00 C ATOM 1991 C HIS A 120 113.120 26.915 -24.317 1.00 0.00 C ATOM 1992 O HIS A 120 113.232 27.713 -25.248 1.00 0.00 O ATOM 1993 CB HIS A 120 111.581 27.418 -22.417 1.00 0.00 C ATOM 1994 CG HIS A 120 110.143 27.354 -21.980 1.00 0.00 C ATOM 1995 ND1 HIS A 120 109.591 26.206 -21.433 1.00 0.00 N ATOM 1996 CD2 HIS A 120 109.134 28.285 -21.997 1.00 0.00 C ATOM 1997 CE1 HIS A 120 108.303 26.473 -21.146 1.00 0.00 C ATOM 1998 NE2 HIS A 120 107.973 27.727 -21.471 1.00 0.00 N ATOM 0 H HIS A 120 111.481 24.961 -22.437 1.00 0.00 H new ATOM 0 HA HIS A 120 110.981 26.893 -24.419 1.00 0.00 H new ATOM 0 HB2 HIS A 120 112.228 27.020 -21.635 1.00 0.00 H new ATOM 0 HB3 HIS A 120 111.878 28.454 -22.580 1.00 0.00 H new ATOM 0 HD2 HIS A 120 109.227 29.297 -22.363 1.00 0.00 H new ATOM 0 HE1 HIS A 120 107.620 25.761 -20.707 1.00 0.00 H new ATOM 0 HE2 HIS A 120 107.065 28.178 -21.358 1.00 0.00 H new ATOM 2007 N HIS A 121 114.154 26.272 -23.787 1.00 0.00 N ATOM 2008 CA HIS A 121 115.508 26.476 -24.287 1.00 0.00 C ATOM 2009 C HIS A 121 115.726 25.684 -25.574 1.00 0.00 C ATOM 2010 O HIS A 121 114.966 24.765 -25.882 1.00 0.00 O ATOM 2011 CB HIS A 121 116.528 26.036 -23.235 1.00 0.00 C ATOM 2012 CG HIS A 121 117.918 26.312 -23.738 1.00 0.00 C ATOM 2013 ND1 HIS A 121 118.394 27.601 -23.921 1.00 0.00 N ATOM 2014 CD2 HIS A 121 118.948 25.478 -24.099 1.00 0.00 C ATOM 2015 CE1 HIS A 121 119.657 27.507 -24.373 1.00 0.00 C ATOM 2016 NE2 HIS A 121 120.044 26.235 -24.499 1.00 0.00 N ATOM 0 H HIS A 121 114.082 25.609 -23.016 1.00 0.00 H new ATOM 0 HA HIS A 121 115.642 27.537 -24.497 1.00 0.00 H new ATOM 0 HB2 HIS A 121 116.355 26.569 -22.300 1.00 0.00 H new ATOM 0 HB3 HIS A 121 116.411 24.973 -23.022 1.00 0.00 H new ATOM 0 HD2 HIS A 121 118.912 24.399 -24.076 1.00 0.00 H new ATOM 0 HE1 HIS A 121 120.282 28.356 -24.606 1.00 0.00 H new ATOM 0 HE2 HIS A 121 120.949 25.892 -24.820 1.00 0.00 H new ATOM 2025 N HIS A 122 116.768 26.049 -26.317 1.00 0.00 N ATOM 2026 CA HIS A 122 117.084 25.370 -27.571 1.00 0.00 C ATOM 2027 C HIS A 122 118.450 24.697 -27.483 1.00 0.00 C ATOM 2028 O HIS A 122 119.375 25.227 -26.869 1.00 0.00 O ATOM 2029 CB HIS A 122 117.084 26.379 -28.723 1.00 0.00 C ATOM 2030 CG HIS A 122 115.666 26.660 -29.138 1.00 0.00 C ATOM 2031 ND1 HIS A 122 114.837 27.501 -28.412 1.00 0.00 N ATOM 2032 CD2 HIS A 122 114.917 26.222 -30.202 1.00 0.00 C ATOM 2033 CE1 HIS A 122 113.649 27.542 -29.043 1.00 0.00 C ATOM 2034 NE2 HIS A 122 113.644 26.779 -30.139 1.00 0.00 N ATOM 0 H HIS A 122 117.405 26.808 -26.074 1.00 0.00 H new ATOM 0 HA HIS A 122 116.326 24.608 -27.754 1.00 0.00 H new ATOM 0 HB2 HIS A 122 117.574 27.302 -28.413 1.00 0.00 H new ATOM 0 HB3 HIS A 122 117.651 25.985 -29.567 1.00 0.00 H new ATOM 0 HD2 HIS A 122 115.264 25.548 -30.971 1.00 0.00 H new ATOM 0 HE1 HIS A 122 112.803 28.121 -28.704 1.00 0.00 H new ATOM 0 HE2 HIS A 122 112.872 26.635 -30.790 1.00 0.00 H new ATOM 2043 N HIS A 123 118.565 23.525 -28.102 1.00 0.00 N ATOM 2044 CA HIS A 123 119.820 22.781 -28.087 1.00 0.00 C ATOM 2045 C HIS A 123 120.483 22.833 -29.459 1.00 0.00 C ATOM 2046 O HIS A 123 119.806 22.793 -30.487 1.00 0.00 O ATOM 2047 CB HIS A 123 119.557 21.324 -27.704 1.00 0.00 C ATOM 2048 CG HIS A 123 118.973 21.266 -26.320 1.00 0.00 C ATOM 2049 ND1 HIS A 123 119.734 21.501 -25.185 1.00 0.00 N ATOM 2050 CD2 HIS A 123 117.703 21.001 -25.872 1.00 0.00 C ATOM 2051 CE1 HIS A 123 118.921 21.376 -24.120 1.00 0.00 C ATOM 2052 NE2 HIS A 123 117.672 21.071 -24.483 1.00 0.00 N ATOM 0 H HIS A 123 117.809 23.073 -28.617 1.00 0.00 H new ATOM 0 HA HIS A 123 120.485 23.236 -27.353 1.00 0.00 H new ATOM 0 HB2 HIS A 123 118.872 20.867 -28.418 1.00 0.00 H new ATOM 0 HB3 HIS A 123 120.485 20.754 -27.743 1.00 0.00 H new ATOM 0 HD1 HIS A 123 120.728 21.727 -25.162 1.00 0.00 H new ATOM 0 HD2 HIS A 123 116.856 20.773 -26.502 1.00 0.00 H new ATOM 0 HE1 HIS A 123 119.239 21.506 -23.096 1.00 0.00 H new ATOM 2061 N HIS A 124 121.809 22.924 -29.465 1.00 0.00 N ATOM 2062 CA HIS A 124 122.557 22.984 -30.717 1.00 0.00 C ATOM 2063 C HIS A 124 123.276 21.664 -30.972 1.00 0.00 C ATOM 2064 O HIS A 124 124.090 21.222 -30.162 1.00 0.00 O ATOM 2065 CB HIS A 124 123.580 24.122 -30.657 1.00 0.00 C ATOM 2066 CG HIS A 124 122.862 25.436 -30.514 1.00 0.00 C ATOM 2067 ND1 HIS A 124 123.534 26.621 -30.253 1.00 0.00 N ATOM 2068 CD2 HIS A 124 121.532 25.769 -30.590 1.00 0.00 C ATOM 2069 CE1 HIS A 124 122.615 27.601 -30.183 1.00 0.00 C ATOM 2070 NE2 HIS A 124 121.379 27.135 -30.380 1.00 0.00 N ATOM 0 H HIS A 124 122.385 22.958 -28.624 1.00 0.00 H new ATOM 0 HA HIS A 124 121.857 23.167 -31.532 1.00 0.00 H new ATOM 0 HB2 HIS A 124 124.257 23.972 -29.816 1.00 0.00 H new ATOM 0 HB3 HIS A 124 124.190 24.125 -31.561 1.00 0.00 H new ATOM 0 HD2 HIS A 124 120.727 25.075 -30.783 1.00 0.00 H new ATOM 0 HE1 HIS A 124 122.848 28.638 -29.991 1.00 0.00 H new ATOM 0 HE2 HIS A 124 120.509 27.667 -30.377 1.00 0.00 H new ATOM 2079 N HIS A 125 122.969 21.041 -32.105 1.00 0.00 N ATOM 2080 CA HIS A 125 123.592 19.770 -32.459 1.00 0.00 C ATOM 2081 C HIS A 125 124.852 20.004 -33.286 1.00 0.00 C ATOM 2082 O HIS A 125 124.828 19.699 -34.467 1.00 0.00 O ATOM 2083 CB HIS A 125 122.608 18.910 -33.255 1.00 0.00 C ATOM 2084 CG HIS A 125 121.433 18.556 -32.385 1.00 0.00 C ATOM 2085 ND1 HIS A 125 121.567 17.787 -31.241 1.00 0.00 N ATOM 2086 CD2 HIS A 125 120.096 18.858 -32.480 1.00 0.00 C ATOM 2087 CE1 HIS A 125 120.343 17.652 -30.697 1.00 0.00 C ATOM 2088 NE2 HIS A 125 119.411 18.285 -31.413 1.00 0.00 N ATOM 2089 OXT HIS A 125 125.823 20.482 -32.725 1.00 0.00 O ATOM 0 H HIS A 125 122.298 21.391 -32.789 1.00 0.00 H new ATOM 0 HA HIS A 125 123.865 19.252 -31.540 1.00 0.00 H new ATOM 0 HB2 HIS A 125 122.270 19.450 -34.139 1.00 0.00 H new ATOM 0 HB3 HIS A 125 123.101 18.003 -33.605 1.00 0.00 H new ATOM 0 HD2 HIS A 125 119.646 19.450 -33.263 1.00 0.00 H new ATOM 0 HE1 HIS A 125 120.140 17.099 -29.792 1.00 0.00 H new ATOM 0 HE2 HIS A 125 118.411 18.337 -31.219 1.00 0.00 H new TER 2098 HIS A 125