USER MOD reduce.3.24.130724 H: found=0, std=0, add=1157, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1157 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 ASN : amide:sc= -0.385 K(o=-0.38,f=-2.3!) USER MOD Set 1.2: A 59 ASN : amide:sc= 0 X(o=-0.38,f=-0.67) USER MOD Set 2.1: A 9 THR OG1 : rot -109:sc= 0.0274 USER MOD Set 2.2: A 11 ASN : amide:sc= 0.141 K(o=0.17,f=-5.3!) USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0443) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.00151 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 1.66 (180deg=1.66) USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= 0.617 (180deg=0.279) USER MOD Single : A 17 LYS NZ :NH3+ -113:sc= 1.01 (180deg=-0.74) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 0.376 (180deg=0.329) USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= 0.917 (180deg=0.33) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.134 F(o=-0.64,f=-0.13) USER MOD Single : A 25 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.048) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.192 X(o=0.19,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0.0757 (180deg=0.0757) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= -0.0149 (180deg=-0.1) USER MOD Single : A 42 MET CE :methyl -179:sc= -3.25! (180deg=-3.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -134:sc= -0.453 (180deg=-2.47!) USER MOD Single : A 50 ASN : amide:sc= -0.0315 K(o=-0.032,f=-1.8!) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00878) USER MOD Single : A 57 LYS NZ :NH3+ -122:sc= 0.737 (180deg=-0.757) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 61 LYS NZ :NH3+ 146:sc= -0.039 (180deg=-0.212) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 0.336 (180deg=0.299) USER MOD Single : A 67 MET CE :methyl -150:sc= -0.565 (180deg=-2.11!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 155:sc= -0.462 (180deg=-1.37!) USER MOD Single : A 76 TYR OH : rot 15:sc=-0.00605 USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 0.628 (180deg=0.512) USER MOD Single : A 85 GLN : amide:sc= -0.0481 K(o=-0.048,f=-0.63) USER MOD Single : A 88 ASN : amide:sc= -0.0222 X(o=-0.022,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -108:sc= 0.75 (180deg=-0.0114) USER MOD Single : A 96 LYS NZ :NH3+ -175:sc= 0.928 (180deg=0.889) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0.0575 K(o=0.058,f=-1.8) USER MOD Single : A 102 TYR OH : rot 60:sc= -0.646 USER MOD Single : A 106 LYS NZ :NH3+ 163:sc= 0.226 (180deg=-0.0699) USER MOD Single : A 108 THR OG1 : rot 66:sc= 0.171 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl 147:sc= -0.844 (180deg=-1.64) USER MOD Single : A 122 GLN : amide:sc= -0.439 K(o=-0.44,f=-4.1!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HE2:sc= 0.639 K(o=0.64,f=-2.2!) USER MOD Single : A 130 HIS : no HD1:sc= -0.357 K(o=-0.36,f=-2.6) USER MOD Single : A 131 HIS :FLIP no HD1:sc=-0.000542 F(o=-0.89,f=-0.00054) USER MOD Single : A 132 HIS : no HD1:sc=-0.00294 X(o=-0.0029,f=0) USER MOD Single : A 133 HIS : no HD1:sc= -0.0364 X(o=-0.036,f=-0.35) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.647 9.951 13.169 1.00 32.11 N ATOM 2 CA MET A 1 3.187 9.630 11.829 1.00 30.31 C ATOM 3 C MET A 1 3.478 8.124 11.726 1.00 13.14 C ATOM 4 O MET A 1 4.044 7.533 12.646 1.00 22.03 O ATOM 5 CB MET A 1 4.480 10.448 11.546 1.00 60.11 C ATOM 6 CG MET A 1 5.144 10.154 10.183 1.00 44.45 C ATOM 7 SD MET A 1 4.049 10.489 8.787 1.00 22.34 S ATOM 8 CE MET A 1 5.071 9.995 7.398 1.00 30.24 C ATOM 0 H1 MET A 1 2.903 10.927 13.422 1.00 32.11 H new ATOM 0 H2 MET A 1 1.611 9.856 13.158 1.00 32.11 H new ATOM 0 H3 MET A 1 3.047 9.296 13.871 1.00 32.11 H new ATOM 0 HA MET A 1 2.441 9.900 11.082 1.00 30.31 H new ATOM 0 HB2 MET A 1 4.240 11.510 11.596 1.00 60.11 H new ATOM 0 HB3 MET A 1 5.202 10.246 12.338 1.00 60.11 H new ATOM 0 HG2 MET A 1 6.046 10.758 10.085 1.00 44.45 H new ATOM 0 HG3 MET A 1 5.455 9.110 10.153 1.00 44.45 H new ATOM 0 HE1 MET A 1 4.581 10.278 6.467 1.00 30.24 H new ATOM 0 HE2 MET A 1 6.039 10.491 7.464 1.00 30.24 H new ATOM 0 HE3 MET A 1 5.215 8.915 7.418 1.00 30.24 H new ATOM 20 N LYS A 2 3.062 7.521 10.607 1.00 14.32 N ATOM 21 CA LYS A 2 3.422 6.148 10.211 1.00 11.35 C ATOM 22 C LYS A 2 3.738 6.152 8.714 1.00 61.24 C ATOM 23 O LYS A 2 3.348 7.079 7.990 1.00 1.21 O ATOM 24 CB LYS A 2 2.273 5.136 10.494 1.00 12.23 C ATOM 25 CG LYS A 2 1.992 4.856 11.980 1.00 34.25 C ATOM 26 CD LYS A 2 0.877 3.802 12.174 1.00 4.11 C ATOM 27 CE LYS A 2 0.578 3.514 13.654 1.00 3.45 C ATOM 28 NZ LYS A 2 0.096 4.727 14.362 1.00 43.42 N ATOM 0 H LYS A 2 2.451 7.982 9.933 1.00 14.32 H new ATOM 0 HA LYS A 2 4.284 5.832 10.798 1.00 11.35 H new ATOM 0 HB2 LYS A 2 1.359 5.512 10.033 1.00 12.23 H new ATOM 0 HB3 LYS A 2 2.513 4.193 10.003 1.00 12.23 H new ATOM 0 HG2 LYS A 2 2.906 4.509 12.462 1.00 34.25 H new ATOM 0 HG3 LYS A 2 1.703 5.783 12.475 1.00 34.25 H new ATOM 0 HD2 LYS A 2 -0.033 4.149 11.685 1.00 4.11 H new ATOM 0 HD3 LYS A 2 1.170 2.875 11.681 1.00 4.11 H new ATOM 0 HE2 LYS A 2 -0.173 2.727 13.727 1.00 3.45 H new ATOM 0 HE3 LYS A 2 1.479 3.142 14.142 1.00 3.45 H new ATOM 0 HZ1 LYS A 2 -0.095 4.495 15.358 1.00 43.42 H new ATOM 0 HZ2 LYS A 2 0.823 5.469 14.313 1.00 43.42 H new ATOM 0 HZ3 LYS A 2 -0.777 5.068 13.912 1.00 43.42 H new ATOM 42 N ILE A 3 4.446 5.120 8.257 1.00 71.21 N ATOM 43 CA ILE A 3 4.737 4.911 6.833 1.00 13.42 C ATOM 44 C ILE A 3 4.121 3.578 6.414 1.00 44.24 C ATOM 45 O ILE A 3 4.646 2.517 6.753 1.00 51.32 O ATOM 46 CB ILE A 3 6.281 4.888 6.555 1.00 24.04 C ATOM 47 CG1 ILE A 3 6.956 6.198 7.069 1.00 52.15 C ATOM 48 CG2 ILE A 3 6.564 4.661 5.047 1.00 62.13 C ATOM 49 CD1 ILE A 3 8.472 6.162 7.087 1.00 64.31 C ATOM 0 H ILE A 3 4.837 4.400 8.864 1.00 71.21 H new ATOM 0 HA ILE A 3 4.314 5.736 6.260 1.00 13.42 H new ATOM 0 HB ILE A 3 6.716 4.053 7.104 1.00 24.04 H new ATOM 0 HG12 ILE A 3 6.633 7.028 6.441 1.00 52.15 H new ATOM 0 HG13 ILE A 3 6.599 6.404 8.078 1.00 52.15 H new ATOM 0 HG21 ILE A 3 7.641 4.649 4.877 1.00 62.13 H new ATOM 0 HG22 ILE A 3 6.136 3.708 4.736 1.00 62.13 H new ATOM 0 HG23 ILE A 3 6.114 5.467 4.467 1.00 62.13 H new ATOM 0 HD11 ILE A 3 8.854 7.113 7.458 1.00 64.31 H new ATOM 0 HD12 ILE A 3 8.809 5.356 7.739 1.00 64.31 H new ATOM 0 HD13 ILE A 3 8.844 5.991 6.077 1.00 64.31 H new ATOM 61 N LEU A 4 2.995 3.638 5.709 1.00 72.22 N ATOM 62 CA LEU A 4 2.331 2.448 5.158 1.00 41.14 C ATOM 63 C LEU A 4 2.607 2.365 3.657 1.00 62.30 C ATOM 64 O LEU A 4 2.680 3.390 2.977 1.00 64.11 O ATOM 65 CB LEU A 4 0.796 2.465 5.443 1.00 21.20 C ATOM 66 CG LEU A 4 0.325 1.904 6.827 1.00 53.21 C ATOM 67 CD1 LEU A 4 0.944 2.664 8.019 1.00 3.24 C ATOM 68 CD2 LEU A 4 -1.216 1.895 6.910 1.00 11.03 C ATOM 0 H LEU A 4 2.512 4.512 5.500 1.00 72.22 H new ATOM 0 HA LEU A 4 2.736 1.563 5.649 1.00 41.14 H new ATOM 0 HB2 LEU A 4 0.447 3.494 5.358 1.00 21.20 H new ATOM 0 HB3 LEU A 4 0.299 1.894 4.659 1.00 21.20 H new ATOM 0 HG LEU A 4 0.685 0.878 6.897 1.00 53.21 H new ATOM 0 HD11 LEU A 4 0.583 2.233 8.953 1.00 3.24 H new ATOM 0 HD12 LEU A 4 2.030 2.582 7.978 1.00 3.24 H new ATOM 0 HD13 LEU A 4 0.657 3.714 7.969 1.00 3.24 H new ATOM 0 HD21 LEU A 4 -1.526 1.502 7.878 1.00 11.03 H new ATOM 0 HD22 LEU A 4 -1.593 2.911 6.793 1.00 11.03 H new ATOM 0 HD23 LEU A 4 -1.619 1.265 6.117 1.00 11.03 H new ATOM 80 N ILE A 5 2.808 1.140 3.161 1.00 33.42 N ATOM 81 CA ILE A 5 2.867 0.846 1.730 1.00 32.13 C ATOM 82 C ILE A 5 1.744 -0.149 1.427 1.00 22.22 C ATOM 83 O ILE A 5 1.770 -1.285 1.903 1.00 55.32 O ATOM 84 CB ILE A 5 4.258 0.249 1.288 1.00 15.33 C ATOM 85 CG1 ILE A 5 5.429 1.217 1.655 1.00 40.21 C ATOM 86 CG2 ILE A 5 4.263 -0.076 -0.230 1.00 14.10 C ATOM 87 CD1 ILE A 5 6.824 0.700 1.312 1.00 74.14 C ATOM 0 H ILE A 5 2.935 0.317 3.750 1.00 33.42 H new ATOM 0 HA ILE A 5 2.746 1.773 1.169 1.00 32.13 H new ATOM 0 HB ILE A 5 4.411 -0.682 1.834 1.00 15.33 H new ATOM 0 HG12 ILE A 5 5.272 2.165 1.140 1.00 40.21 H new ATOM 0 HG13 ILE A 5 5.387 1.425 2.724 1.00 40.21 H new ATOM 0 HG21 ILE A 5 5.233 -0.486 -0.511 1.00 14.10 H new ATOM 0 HG22 ILE A 5 3.483 -0.806 -0.448 1.00 14.10 H new ATOM 0 HG23 ILE A 5 4.076 0.836 -0.798 1.00 14.10 H new ATOM 0 HD11 ILE A 5 7.568 1.441 1.604 1.00 74.14 H new ATOM 0 HD12 ILE A 5 7.009 -0.231 1.848 1.00 74.14 H new ATOM 0 HD13 ILE A 5 6.892 0.521 0.239 1.00 74.14 H new ATOM 99 N LEU A 6 0.759 0.294 0.650 1.00 62.41 N ATOM 100 CA LEU A 6 -0.390 -0.522 0.262 1.00 23.30 C ATOM 101 C LEU A 6 -0.045 -1.270 -1.021 1.00 74.02 C ATOM 102 O LEU A 6 0.377 -0.658 -2.007 1.00 1.11 O ATOM 103 CB LEU A 6 -1.638 0.362 0.022 1.00 34.00 C ATOM 104 CG LEU A 6 -2.156 1.189 1.226 1.00 14.42 C ATOM 105 CD1 LEU A 6 -3.370 2.046 0.830 1.00 42.14 C ATOM 106 CD2 LEU A 6 -2.496 0.296 2.423 1.00 34.35 C ATOM 0 H LEU A 6 0.735 1.239 0.268 1.00 62.41 H new ATOM 0 HA LEU A 6 -0.616 -1.223 1.065 1.00 23.30 H new ATOM 0 HB2 LEU A 6 -1.413 1.052 -0.791 1.00 34.00 H new ATOM 0 HB3 LEU A 6 -2.448 -0.282 -0.321 1.00 34.00 H new ATOM 0 HG LEU A 6 -1.348 1.856 1.528 1.00 14.42 H new ATOM 0 HD11 LEU A 6 -3.711 2.615 1.695 1.00 42.14 H new ATOM 0 HD12 LEU A 6 -3.086 2.733 0.033 1.00 42.14 H new ATOM 0 HD13 LEU A 6 -4.174 1.398 0.481 1.00 42.14 H new ATOM 0 HD21 LEU A 6 -2.856 0.913 3.247 1.00 34.35 H new ATOM 0 HD22 LEU A 6 -3.271 -0.416 2.138 1.00 34.35 H new ATOM 0 HD23 LEU A 6 -1.604 -0.246 2.738 1.00 34.35 H new ATOM 118 N ILE A 7 -0.199 -2.588 -0.993 1.00 42.25 N ATOM 119 CA ILE A 7 0.022 -3.447 -2.160 1.00 51.41 C ATOM 120 C ILE A 7 -1.309 -4.086 -2.553 1.00 63.43 C ATOM 121 O ILE A 7 -1.900 -4.839 -1.769 1.00 73.11 O ATOM 122 CB ILE A 7 1.098 -4.565 -1.869 1.00 73.25 C ATOM 123 CG1 ILE A 7 2.456 -3.921 -1.448 1.00 61.14 C ATOM 124 CG2 ILE A 7 1.290 -5.518 -3.083 1.00 50.04 C ATOM 125 CD1 ILE A 7 3.111 -3.028 -2.491 1.00 21.50 C ATOM 0 H ILE A 7 -0.482 -3.099 -0.157 1.00 42.25 H new ATOM 0 HA ILE A 7 0.407 -2.837 -2.977 1.00 51.41 H new ATOM 0 HB ILE A 7 0.727 -5.170 -1.042 1.00 73.25 H new ATOM 0 HG12 ILE A 7 2.295 -3.335 -0.543 1.00 61.14 H new ATOM 0 HG13 ILE A 7 3.152 -4.719 -1.191 1.00 61.14 H new ATOM 0 HG21 ILE A 7 2.039 -6.272 -2.839 1.00 50.04 H new ATOM 0 HG22 ILE A 7 0.344 -6.008 -3.314 1.00 50.04 H new ATOM 0 HG23 ILE A 7 1.622 -4.943 -3.948 1.00 50.04 H new ATOM 0 HD11 ILE A 7 4.047 -2.633 -2.096 1.00 21.50 H new ATOM 0 HD12 ILE A 7 3.313 -3.608 -3.391 1.00 21.50 H new ATOM 0 HD13 ILE A 7 2.443 -2.202 -2.734 1.00 21.50 H new ATOM 137 N ASN A 8 -1.780 -3.743 -3.757 1.00 61.33 N ATOM 138 CA ASN A 8 -2.932 -4.383 -4.392 1.00 33.34 C ATOM 139 C ASN A 8 -2.467 -4.886 -5.751 1.00 23.42 C ATOM 140 O ASN A 8 -2.290 -4.102 -6.693 1.00 51.52 O ATOM 141 CB ASN A 8 -4.105 -3.380 -4.548 1.00 11.24 C ATOM 142 CG ASN A 8 -5.425 -3.996 -5.048 1.00 55.25 C ATOM 143 OD1 ASN A 8 -5.450 -4.957 -5.817 1.00 30.35 O ATOM 144 ND2 ASN A 8 -6.545 -3.444 -4.603 1.00 63.02 N ATOM 0 H ASN A 8 -1.365 -3.003 -4.323 1.00 61.33 H new ATOM 0 HA ASN A 8 -3.300 -5.207 -3.780 1.00 33.34 H new ATOM 0 HB2 ASN A 8 -4.286 -2.903 -3.585 1.00 11.24 H new ATOM 0 HB3 ASN A 8 -3.802 -2.595 -5.241 1.00 11.24 H new ATOM 0 HD21 ASN A 8 -7.448 -3.815 -4.897 1.00 63.02 H new ATOM 0 HD22 ASN A 8 -6.503 -2.648 -3.966 1.00 63.02 H new ATOM 151 N THR A 9 -2.221 -6.185 -5.825 1.00 74.40 N ATOM 152 CA THR A 9 -1.906 -6.864 -7.072 1.00 70.13 C ATOM 153 C THR A 9 -2.787 -8.099 -7.209 1.00 35.35 C ATOM 154 O THR A 9 -3.104 -8.773 -6.211 1.00 3.12 O ATOM 155 CB THR A 9 -0.392 -7.212 -7.182 1.00 1.32 C ATOM 156 OG1 THR A 9 -0.133 -7.896 -8.411 1.00 55.33 O ATOM 157 CG2 THR A 9 0.119 -8.042 -6.015 1.00 55.25 C ATOM 0 H THR A 9 -2.235 -6.803 -5.014 1.00 74.40 H new ATOM 0 HA THR A 9 -2.117 -6.189 -7.901 1.00 70.13 H new ATOM 0 HB THR A 9 0.146 -6.265 -7.157 1.00 1.32 H new ATOM 0 HG1 THR A 9 0.075 -8.835 -8.225 1.00 55.33 H new ATOM 0 HG21 THR A 9 1.180 -8.250 -6.153 1.00 55.25 H new ATOM 0 HG22 THR A 9 -0.025 -7.491 -5.086 1.00 55.25 H new ATOM 0 HG23 THR A 9 -0.432 -8.982 -5.968 1.00 55.25 H new ATOM 165 N ASN A 10 -3.186 -8.388 -8.454 1.00 14.30 N ATOM 166 CA ASN A 10 -4.106 -9.500 -8.745 1.00 51.34 C ATOM 167 C ASN A 10 -3.353 -10.852 -8.714 1.00 52.22 C ATOM 168 O ASN A 10 -3.970 -11.905 -8.535 1.00 15.04 O ATOM 169 CB ASN A 10 -4.826 -9.263 -10.096 1.00 13.43 C ATOM 170 CG ASN A 10 -6.007 -10.209 -10.357 1.00 21.41 C ATOM 171 OD1 ASN A 10 -6.685 -10.668 -9.430 1.00 30.34 O ATOM 172 ND2 ASN A 10 -6.283 -10.482 -11.620 1.00 2.22 N ATOM 0 H ASN A 10 -2.887 -7.868 -9.279 1.00 14.30 H new ATOM 0 HA ASN A 10 -4.872 -9.541 -7.970 1.00 51.34 H new ATOM 0 HB2 ASN A 10 -5.186 -8.235 -10.127 1.00 13.43 H new ATOM 0 HB3 ASN A 10 -4.103 -9.372 -10.904 1.00 13.43 H new ATOM 0 HD21 ASN A 10 -7.072 -11.085 -11.851 1.00 2.22 H new ATOM 0 HD22 ASN A 10 -5.707 -10.089 -12.364 1.00 2.22 H new ATOM 179 N ASN A 11 -2.011 -10.813 -8.879 1.00 74.21 N ATOM 180 CA ASN A 11 -1.144 -11.999 -8.692 1.00 34.25 C ATOM 181 C ASN A 11 -0.413 -11.909 -7.328 1.00 52.43 C ATOM 182 O ASN A 11 0.470 -11.070 -7.124 1.00 51.24 O ATOM 183 CB ASN A 11 -0.141 -12.198 -9.881 1.00 12.20 C ATOM 184 CG ASN A 11 0.816 -11.032 -10.165 1.00 3.31 C ATOM 185 OD1 ASN A 11 0.478 -9.875 -10.003 1.00 71.45 O ATOM 186 ND2 ASN A 11 2.024 -11.337 -10.608 1.00 31.43 N ATOM 0 H ASN A 11 -1.503 -9.969 -9.143 1.00 74.21 H new ATOM 0 HA ASN A 11 -1.780 -12.884 -8.687 1.00 34.25 H new ATOM 0 HB2 ASN A 11 0.455 -13.089 -9.681 1.00 12.20 H new ATOM 0 HB3 ASN A 11 -0.717 -12.396 -10.785 1.00 12.20 H new ATOM 0 HD21 ASN A 11 2.692 -10.596 -10.820 1.00 31.43 H new ATOM 0 HD22 ASN A 11 2.288 -12.314 -10.737 1.00 31.43 H new ATOM 193 N ASP A 12 -0.819 -12.790 -6.396 1.00 72.43 N ATOM 194 CA ASP A 12 -0.243 -12.898 -5.032 1.00 1.33 C ATOM 195 C ASP A 12 1.227 -13.368 -5.074 1.00 44.41 C ATOM 196 O ASP A 12 1.991 -13.125 -4.134 1.00 35.44 O ATOM 197 CB ASP A 12 -1.112 -13.874 -4.194 1.00 54.41 C ATOM 198 CG ASP A 12 -0.611 -14.105 -2.751 1.00 74.42 C ATOM 199 OD1 ASP A 12 -0.625 -13.153 -1.940 1.00 64.20 O ATOM 200 OD2 ASP A 12 -0.206 -15.244 -2.422 1.00 64.42 O ATOM 0 H ASP A 12 -1.569 -13.460 -6.567 1.00 72.43 H new ATOM 0 HA ASP A 12 -0.248 -11.912 -4.567 1.00 1.33 H new ATOM 0 HB2 ASP A 12 -2.131 -13.489 -4.153 1.00 54.41 H new ATOM 0 HB3 ASP A 12 -1.154 -14.834 -4.708 1.00 54.41 H new ATOM 205 N GLU A 13 1.603 -14.028 -6.185 1.00 32.22 N ATOM 206 CA GLU A 13 2.958 -14.495 -6.457 1.00 34.44 C ATOM 207 C GLU A 13 4.003 -13.354 -6.325 1.00 23.15 C ATOM 208 O GLU A 13 5.104 -13.548 -5.802 1.00 60.33 O ATOM 209 CB GLU A 13 2.990 -15.067 -7.890 1.00 1.32 C ATOM 210 CG GLU A 13 4.257 -15.862 -8.196 1.00 62.22 C ATOM 211 CD GLU A 13 4.475 -16.116 -9.696 1.00 75.33 C ATOM 212 OE1 GLU A 13 3.792 -16.983 -10.270 1.00 24.13 O ATOM 213 OE2 GLU A 13 5.319 -15.432 -10.314 1.00 64.21 O ATOM 0 H GLU A 13 0.948 -14.253 -6.934 1.00 32.22 H new ATOM 0 HA GLU A 13 3.220 -15.258 -5.724 1.00 34.44 H new ATOM 0 HB2 GLU A 13 2.122 -15.710 -8.036 1.00 1.32 H new ATOM 0 HB3 GLU A 13 2.903 -14.247 -8.603 1.00 1.32 H new ATOM 0 HG2 GLU A 13 5.118 -15.325 -7.798 1.00 62.22 H new ATOM 0 HG3 GLU A 13 4.210 -16.819 -7.677 1.00 62.22 H new ATOM 220 N LEU A 14 3.610 -12.172 -6.816 1.00 44.42 N ATOM 221 CA LEU A 14 4.412 -10.941 -6.756 1.00 64.21 C ATOM 222 C LEU A 14 4.634 -10.482 -5.288 1.00 13.14 C ATOM 223 O LEU A 14 5.724 -10.003 -4.932 1.00 62.43 O ATOM 224 CB LEU A 14 3.679 -9.861 -7.588 1.00 40.22 C ATOM 225 CG LEU A 14 4.301 -8.436 -7.611 1.00 2.20 C ATOM 226 CD1 LEU A 14 5.760 -8.444 -8.108 1.00 3.54 C ATOM 227 CD2 LEU A 14 3.432 -7.486 -8.446 1.00 4.24 C ATOM 0 H LEU A 14 2.709 -12.041 -7.275 1.00 44.42 H new ATOM 0 HA LEU A 14 5.404 -11.118 -7.171 1.00 64.21 H new ATOM 0 HB2 LEU A 14 3.610 -10.216 -8.616 1.00 40.22 H new ATOM 0 HB3 LEU A 14 2.660 -9.778 -7.211 1.00 40.22 H new ATOM 0 HG LEU A 14 4.325 -8.071 -6.584 1.00 2.20 H new ATOM 0 HD11 LEU A 14 6.151 -7.426 -8.106 1.00 3.54 H new ATOM 0 HD12 LEU A 14 6.365 -9.066 -7.449 1.00 3.54 H new ATOM 0 HD13 LEU A 14 5.797 -8.845 -9.121 1.00 3.54 H new ATOM 0 HD21 LEU A 14 3.881 -6.493 -8.452 1.00 4.24 H new ATOM 0 HD22 LEU A 14 3.363 -7.859 -9.468 1.00 4.24 H new ATOM 0 HD23 LEU A 14 2.434 -7.430 -8.012 1.00 4.24 H new ATOM 239 N ILE A 15 3.603 -10.669 -4.441 1.00 32.34 N ATOM 240 CA ILE A 15 3.630 -10.251 -3.016 1.00 34.14 C ATOM 241 C ILE A 15 4.657 -11.075 -2.213 1.00 34.14 C ATOM 242 O ILE A 15 5.239 -10.571 -1.253 1.00 10.21 O ATOM 243 CB ILE A 15 2.207 -10.379 -2.348 1.00 61.12 C ATOM 244 CG1 ILE A 15 1.153 -9.600 -3.174 1.00 4.42 C ATOM 245 CG2 ILE A 15 2.217 -9.887 -0.881 1.00 14.01 C ATOM 246 CD1 ILE A 15 -0.272 -9.683 -2.660 1.00 5.24 C ATOM 0 H ILE A 15 2.728 -11.113 -4.720 1.00 32.34 H new ATOM 0 HA ILE A 15 3.928 -9.203 -2.998 1.00 34.14 H new ATOM 0 HB ILE A 15 1.939 -11.436 -2.338 1.00 61.12 H new ATOM 0 HG12 ILE A 15 1.447 -8.551 -3.209 1.00 4.42 H new ATOM 0 HG13 ILE A 15 1.173 -9.971 -4.199 1.00 4.42 H new ATOM 0 HG21 ILE A 15 1.219 -9.991 -0.456 1.00 14.01 H new ATOM 0 HG22 ILE A 15 2.922 -10.483 -0.302 1.00 14.01 H new ATOM 0 HG23 ILE A 15 2.517 -8.840 -0.851 1.00 14.01 H new ATOM 0 HD11 ILE A 15 -0.928 -9.104 -3.310 1.00 5.24 H new ATOM 0 HD12 ILE A 15 -0.596 -10.724 -2.652 1.00 5.24 H new ATOM 0 HD13 ILE A 15 -0.318 -9.281 -1.648 1.00 5.24 H new ATOM 258 N LYS A 16 4.897 -12.334 -2.643 1.00 61.43 N ATOM 259 CA LYS A 16 5.853 -13.260 -1.970 1.00 43.40 C ATOM 260 C LYS A 16 7.259 -12.649 -1.945 1.00 61.32 C ATOM 261 O LYS A 16 8.042 -12.872 -1.019 1.00 63.53 O ATOM 262 CB LYS A 16 5.885 -14.645 -2.689 1.00 25.03 C ATOM 263 CG LYS A 16 4.510 -15.275 -3.048 1.00 54.03 C ATOM 264 CD LYS A 16 3.592 -15.645 -1.844 1.00 34.41 C ATOM 265 CE LYS A 16 2.824 -14.455 -1.234 1.00 4.25 C ATOM 266 NZ LYS A 16 1.779 -14.892 -0.287 1.00 11.11 N ATOM 0 H LYS A 16 4.440 -12.740 -3.460 1.00 61.43 H new ATOM 0 HA LYS A 16 5.514 -13.411 -0.945 1.00 43.40 H new ATOM 0 HB2 LYS A 16 6.461 -14.538 -3.608 1.00 25.03 H new ATOM 0 HB3 LYS A 16 6.426 -15.346 -2.053 1.00 25.03 H new ATOM 0 HG2 LYS A 16 3.970 -14.579 -3.690 1.00 54.03 H new ATOM 0 HG3 LYS A 16 4.688 -16.177 -3.634 1.00 54.03 H new ATOM 0 HD2 LYS A 16 2.873 -16.396 -2.170 1.00 34.41 H new ATOM 0 HD3 LYS A 16 4.202 -16.104 -1.066 1.00 34.41 H new ATOM 0 HE2 LYS A 16 3.525 -13.797 -0.720 1.00 4.25 H new ATOM 0 HE3 LYS A 16 2.367 -13.872 -2.033 1.00 4.25 H new ATOM 0 HZ1 LYS A 16 1.598 -14.136 0.403 1.00 11.11 H new ATOM 0 HZ2 LYS A 16 0.904 -15.102 -0.808 1.00 11.11 H new ATOM 0 HZ3 LYS A 16 2.098 -15.747 0.212 1.00 11.11 H new ATOM 280 N LYS A 17 7.536 -11.864 -2.989 1.00 2.12 N ATOM 281 CA LYS A 17 8.769 -11.111 -3.138 1.00 45.15 C ATOM 282 C LYS A 17 8.694 -9.807 -2.328 1.00 43.22 C ATOM 283 O LYS A 17 9.569 -9.547 -1.509 1.00 51.43 O ATOM 284 CB LYS A 17 8.986 -10.813 -4.636 1.00 35.33 C ATOM 285 CG LYS A 17 9.062 -12.073 -5.522 1.00 65.31 C ATOM 286 CD LYS A 17 9.148 -11.739 -7.030 1.00 74.35 C ATOM 287 CE LYS A 17 9.400 -12.988 -7.882 1.00 61.22 C ATOM 288 NZ LYS A 17 9.473 -12.681 -9.323 1.00 70.12 N ATOM 0 H LYS A 17 6.890 -11.736 -3.768 1.00 2.12 H new ATOM 0 HA LYS A 17 9.610 -11.692 -2.759 1.00 45.15 H new ATOM 0 HB2 LYS A 17 8.173 -10.180 -4.991 1.00 35.33 H new ATOM 0 HB3 LYS A 17 9.908 -10.243 -4.753 1.00 35.33 H new ATOM 0 HG2 LYS A 17 9.933 -12.662 -5.234 1.00 65.31 H new ATOM 0 HG3 LYS A 17 8.184 -12.693 -5.341 1.00 65.31 H new ATOM 0 HD2 LYS A 17 8.221 -11.264 -7.349 1.00 74.35 H new ATOM 0 HD3 LYS A 17 9.949 -11.019 -7.197 1.00 74.35 H new ATOM 0 HE2 LYS A 17 10.331 -13.458 -7.566 1.00 61.22 H new ATOM 0 HE3 LYS A 17 8.603 -13.711 -7.707 1.00 61.22 H new ATOM 0 HZ1 LYS A 17 8.660 -13.109 -9.811 1.00 70.12 H new ATOM 0 HZ2 LYS A 17 9.455 -11.650 -9.460 1.00 70.12 H new ATOM 0 HZ3 LYS A 17 10.355 -13.067 -9.716 1.00 70.12 H new ATOM 302 N ILE A 18 7.604 -9.027 -2.551 1.00 4.34 N ATOM 303 CA ILE A 18 7.416 -7.663 -1.973 1.00 50.32 C ATOM 304 C ILE A 18 7.507 -7.648 -0.421 1.00 45.32 C ATOM 305 O ILE A 18 8.075 -6.706 0.165 1.00 42.45 O ATOM 306 CB ILE A 18 6.049 -7.031 -2.456 1.00 73.40 C ATOM 307 CG1 ILE A 18 6.057 -6.832 -4.010 1.00 3.51 C ATOM 308 CG2 ILE A 18 5.733 -5.697 -1.729 1.00 34.34 C ATOM 309 CD1 ILE A 18 4.774 -6.259 -4.601 1.00 32.44 C ATOM 0 H ILE A 18 6.826 -9.325 -3.139 1.00 4.34 H new ATOM 0 HA ILE A 18 8.239 -7.052 -2.343 1.00 50.32 H new ATOM 0 HB ILE A 18 5.255 -7.731 -2.196 1.00 73.40 H new ATOM 0 HG12 ILE A 18 6.884 -6.172 -4.271 1.00 3.51 H new ATOM 0 HG13 ILE A 18 6.257 -7.794 -4.482 1.00 3.51 H new ATOM 0 HG21 ILE A 18 4.785 -5.300 -2.093 1.00 34.34 H new ATOM 0 HG22 ILE A 18 5.664 -5.875 -0.656 1.00 34.34 H new ATOM 0 HG23 ILE A 18 6.528 -4.978 -1.927 1.00 34.34 H new ATOM 0 HD11 ILE A 18 4.883 -6.161 -5.681 1.00 32.44 H new ATOM 0 HD12 ILE A 18 3.941 -6.927 -4.380 1.00 32.44 H new ATOM 0 HD13 ILE A 18 4.579 -5.279 -4.165 1.00 32.44 H new ATOM 321 N LYS A 19 6.962 -8.700 0.225 1.00 72.24 N ATOM 322 CA LYS A 19 7.023 -8.869 1.690 1.00 51.25 C ATOM 323 C LYS A 19 8.485 -8.978 2.134 1.00 15.01 C ATOM 324 O LYS A 19 8.913 -8.264 3.031 1.00 32.13 O ATOM 325 CB LYS A 19 6.207 -10.112 2.141 1.00 32.33 C ATOM 326 CG LYS A 19 4.694 -10.000 1.862 1.00 42.12 C ATOM 327 CD LYS A 19 3.884 -11.280 2.209 1.00 63.04 C ATOM 328 CE LYS A 19 3.935 -11.673 3.700 1.00 24.33 C ATOM 329 NZ LYS A 19 2.893 -12.680 4.050 1.00 33.25 N ATOM 0 H LYS A 19 6.469 -9.454 -0.254 1.00 72.24 H new ATOM 0 HA LYS A 19 6.576 -7.996 2.166 1.00 51.25 H new ATOM 0 HB2 LYS A 19 6.596 -10.994 1.633 1.00 32.33 H new ATOM 0 HB3 LYS A 19 6.359 -10.267 3.209 1.00 32.33 H new ATOM 0 HG2 LYS A 19 4.292 -9.163 2.433 1.00 42.12 H new ATOM 0 HG3 LYS A 19 4.547 -9.766 0.808 1.00 42.12 H new ATOM 0 HD2 LYS A 19 2.844 -11.128 1.920 1.00 63.04 H new ATOM 0 HD3 LYS A 19 4.263 -12.110 1.612 1.00 63.04 H new ATOM 0 HE2 LYS A 19 4.921 -12.075 3.935 1.00 24.33 H new ATOM 0 HE3 LYS A 19 3.799 -10.783 4.314 1.00 24.33 H new ATOM 0 HZ1 LYS A 19 3.067 -13.041 5.010 1.00 33.25 H new ATOM 0 HZ2 LYS A 19 1.954 -12.235 4.013 1.00 33.25 H new ATOM 0 HZ3 LYS A 19 2.930 -13.468 3.372 1.00 33.25 H new ATOM 343 N LYS A 20 9.250 -9.829 1.428 1.00 61.40 N ATOM 344 CA LYS A 20 10.685 -10.043 1.698 1.00 24.23 C ATOM 345 C LYS A 20 11.509 -8.765 1.440 1.00 2.00 C ATOM 346 O LYS A 20 12.474 -8.511 2.165 1.00 31.44 O ATOM 347 CB LYS A 20 11.211 -11.237 0.855 1.00 42.12 C ATOM 348 CG LYS A 20 10.648 -12.608 1.303 1.00 4.24 C ATOM 349 CD LYS A 20 11.257 -13.090 2.651 1.00 4.22 C ATOM 350 CE LYS A 20 10.474 -14.260 3.279 1.00 72.15 C ATOM 351 NZ LYS A 20 9.115 -13.824 3.704 1.00 64.21 N ATOM 0 H LYS A 20 8.892 -10.388 0.654 1.00 61.40 H new ATOM 0 HA LYS A 20 10.803 -10.285 2.754 1.00 24.23 H new ATOM 0 HB2 LYS A 20 10.955 -11.073 -0.192 1.00 42.12 H new ATOM 0 HB3 LYS A 20 12.299 -11.263 0.916 1.00 42.12 H new ATOM 0 HG2 LYS A 20 9.565 -12.538 1.402 1.00 4.24 H new ATOM 0 HG3 LYS A 20 10.850 -13.350 0.531 1.00 4.24 H new ATOM 0 HD2 LYS A 20 12.290 -13.397 2.488 1.00 4.22 H new ATOM 0 HD3 LYS A 20 11.279 -12.256 3.353 1.00 4.22 H new ATOM 0 HE2 LYS A 20 10.390 -15.074 2.559 1.00 72.15 H new ATOM 0 HE3 LYS A 20 11.021 -14.649 4.138 1.00 72.15 H new ATOM 0 HZ1 LYS A 20 8.781 -14.433 4.478 1.00 64.21 H new ATOM 0 HZ2 LYS A 20 9.153 -12.838 4.031 1.00 64.21 H new ATOM 0 HZ3 LYS A 20 8.460 -13.897 2.900 1.00 64.21 H new ATOM 365 N GLU A 21 11.094 -7.963 0.431 1.00 24.40 N ATOM 366 CA GLU A 21 11.765 -6.690 0.081 1.00 33.22 C ATOM 367 C GLU A 21 11.716 -5.714 1.271 1.00 2.42 C ATOM 368 O GLU A 21 12.747 -5.185 1.703 1.00 33.34 O ATOM 369 CB GLU A 21 11.115 -6.017 -1.173 1.00 4.13 C ATOM 370 CG GLU A 21 11.047 -6.882 -2.450 1.00 25.04 C ATOM 371 CD GLU A 21 12.392 -7.476 -2.884 1.00 14.13 C ATOM 372 OE1 GLU A 21 13.168 -6.780 -3.569 1.00 2.23 O ATOM 373 OE2 GLU A 21 12.692 -8.644 -2.541 1.00 1.12 O ATOM 0 H GLU A 21 10.290 -8.179 -0.159 1.00 24.40 H new ATOM 0 HA GLU A 21 12.802 -6.925 -0.158 1.00 33.22 H new ATOM 0 HB2 GLU A 21 10.102 -5.711 -0.912 1.00 4.13 H new ATOM 0 HB3 GLU A 21 11.673 -5.109 -1.403 1.00 4.13 H new ATOM 0 HG2 GLU A 21 10.340 -7.695 -2.286 1.00 25.04 H new ATOM 0 HG3 GLU A 21 10.652 -6.275 -3.265 1.00 25.04 H new ATOM 380 N VAL A 22 10.504 -5.507 1.813 1.00 31.21 N ATOM 381 CA VAL A 22 10.277 -4.549 2.910 1.00 12.21 C ATOM 382 C VAL A 22 10.795 -5.088 4.267 1.00 73.24 C ATOM 383 O VAL A 22 11.074 -4.298 5.176 1.00 3.04 O ATOM 384 CB VAL A 22 8.764 -4.140 3.021 1.00 62.40 C ATOM 385 CG1 VAL A 22 8.249 -3.533 1.697 1.00 41.34 C ATOM 386 CG2 VAL A 22 7.886 -5.324 3.469 1.00 24.32 C ATOM 0 H VAL A 22 9.661 -5.993 1.507 1.00 31.21 H new ATOM 0 HA VAL A 22 10.852 -3.656 2.665 1.00 12.21 H new ATOM 0 HB VAL A 22 8.692 -3.372 3.791 1.00 62.40 H new ATOM 0 HG11 VAL A 22 7.199 -3.260 1.806 1.00 41.34 H new ATOM 0 HG12 VAL A 22 8.831 -2.645 1.453 1.00 41.34 H new ATOM 0 HG13 VAL A 22 8.352 -4.265 0.896 1.00 41.34 H new ATOM 0 HG21 VAL A 22 6.847 -5.002 3.534 1.00 24.32 H new ATOM 0 HG22 VAL A 22 7.970 -6.134 2.744 1.00 24.32 H new ATOM 0 HG23 VAL A 22 8.219 -5.675 4.446 1.00 24.32 H new ATOM 396 N GLU A 23 10.922 -6.432 4.389 1.00 63.35 N ATOM 397 CA GLU A 23 11.510 -7.086 5.586 1.00 11.14 C ATOM 398 C GLU A 23 12.988 -6.676 5.785 1.00 12.22 C ATOM 399 O GLU A 23 13.468 -6.627 6.920 1.00 70.23 O ATOM 400 CB GLU A 23 11.387 -8.634 5.487 1.00 43.40 C ATOM 401 CG GLU A 23 9.971 -9.196 5.764 1.00 4.14 C ATOM 402 CD GLU A 23 9.843 -10.701 5.468 1.00 33.24 C ATOM 403 OE1 GLU A 23 10.651 -11.495 6.000 1.00 52.33 O ATOM 404 OE2 GLU A 23 8.934 -11.107 4.706 1.00 34.24 O ATOM 0 H GLU A 23 10.623 -7.089 3.668 1.00 63.35 H new ATOM 0 HA GLU A 23 10.946 -6.747 6.455 1.00 11.14 H new ATOM 0 HB2 GLU A 23 11.696 -8.945 4.489 1.00 43.40 H new ATOM 0 HB3 GLU A 23 12.085 -9.085 6.192 1.00 43.40 H new ATOM 0 HG2 GLU A 23 9.714 -9.015 6.808 1.00 4.14 H new ATOM 0 HG3 GLU A 23 9.247 -8.651 5.158 1.00 4.14 H new ATOM 411 N ASN A 24 13.699 -6.380 4.672 1.00 13.33 N ATOM 412 CA ASN A 24 15.089 -5.862 4.724 1.00 53.33 C ATOM 413 C ASN A 24 15.145 -4.481 5.413 1.00 60.23 C ATOM 414 O ASN A 24 16.118 -4.159 6.106 1.00 23.45 O ATOM 415 CB ASN A 24 15.714 -5.770 3.305 1.00 32.53 C ATOM 416 CG ASN A 24 15.901 -7.131 2.643 1.00 32.22 C ATOM 417 OD1 ASN A 24 14.954 -7.538 1.832 1.00 14.10 O flip ATOM 418 ND2 ASN A 24 16.904 -7.804 2.857 1.00 63.42 N flip ATOM 0 H ASN A 24 13.334 -6.491 3.726 1.00 13.33 H new ATOM 0 HA ASN A 24 15.672 -6.570 5.313 1.00 53.33 H new ATOM 0 HB2 ASN A 24 15.077 -5.150 2.674 1.00 32.53 H new ATOM 0 HB3 ASN A 24 16.680 -5.270 3.372 1.00 32.53 H new ATOM 0 HD21 ASN A 24 17.623 -7.460 3.493 1.00 63.42 H new ATOM 0 HD22 ASN A 24 17.019 -8.708 2.399 1.00 63.42 H new ATOM 425 N GLN A 25 14.085 -3.679 5.218 1.00 54.55 N ATOM 426 CA GLN A 25 13.954 -2.336 5.823 1.00 2.11 C ATOM 427 C GLN A 25 13.269 -2.396 7.197 1.00 41.14 C ATOM 428 O GLN A 25 13.118 -1.364 7.849 1.00 4.51 O ATOM 429 CB GLN A 25 13.174 -1.403 4.862 1.00 41.55 C ATOM 430 CG GLN A 25 13.878 -1.143 3.521 1.00 14.22 C ATOM 431 CD GLN A 25 15.212 -0.406 3.672 1.00 32.04 C ATOM 432 OE1 GLN A 25 15.259 0.824 3.664 1.00 23.32 O ATOM 433 NE2 GLN A 25 16.300 -1.149 3.808 1.00 55.25 N ATOM 0 H GLN A 25 13.290 -3.942 4.635 1.00 54.55 H new ATOM 0 HA GLN A 25 14.955 -1.934 5.980 1.00 2.11 H new ATOM 0 HB2 GLN A 25 12.195 -1.840 4.666 1.00 41.55 H new ATOM 0 HB3 GLN A 25 13.003 -0.449 5.360 1.00 41.55 H new ATOM 0 HG2 GLN A 25 14.051 -2.095 3.019 1.00 14.22 H new ATOM 0 HG3 GLN A 25 13.218 -0.559 2.879 1.00 14.22 H new ATOM 0 HE21 GLN A 25 16.226 -2.166 3.810 1.00 55.25 H new ATOM 0 HE22 GLN A 25 17.212 -0.704 3.910 1.00 55.25 H new ATOM 442 N GLY A 26 12.857 -3.601 7.627 1.00 51.04 N ATOM 443 CA GLY A 26 12.247 -3.789 8.943 1.00 53.43 C ATOM 444 C GLY A 26 10.815 -3.278 9.016 1.00 13.14 C ATOM 445 O GLY A 26 10.420 -2.660 10.011 1.00 72.43 O ATOM 0 H GLY A 26 12.938 -4.457 7.078 1.00 51.04 H new ATOM 0 HA2 GLY A 26 12.261 -4.849 9.195 1.00 53.43 H new ATOM 0 HA3 GLY A 26 12.849 -3.275 9.693 1.00 53.43 H new ATOM 449 N TYR A 27 10.057 -3.481 7.925 1.00 32.11 N ATOM 450 CA TYR A 27 8.607 -3.220 7.900 1.00 4.50 C ATOM 451 C TYR A 27 7.846 -4.374 8.573 1.00 53.55 C ATOM 452 O TYR A 27 8.192 -5.550 8.408 1.00 20.54 O ATOM 453 CB TYR A 27 8.072 -3.029 6.447 1.00 32.53 C ATOM 454 CG TYR A 27 8.298 -1.633 5.831 1.00 13.44 C ATOM 455 CD1 TYR A 27 9.583 -1.115 5.646 1.00 43.15 C ATOM 456 CD2 TYR A 27 7.215 -0.843 5.421 1.00 33.44 C ATOM 457 CE1 TYR A 27 9.776 0.131 5.083 1.00 34.23 C ATOM 458 CE2 TYR A 27 7.407 0.402 4.864 1.00 0.41 C ATOM 459 CZ TYR A 27 8.685 0.885 4.694 1.00 51.34 C ATOM 460 OH TYR A 27 8.873 2.128 4.137 1.00 73.24 O ATOM 0 H TYR A 27 10.429 -3.828 7.041 1.00 32.11 H new ATOM 0 HA TYR A 27 8.439 -2.293 8.449 1.00 4.50 H new ATOM 0 HB2 TYR A 27 8.546 -3.771 5.804 1.00 32.53 H new ATOM 0 HB3 TYR A 27 7.003 -3.240 6.442 1.00 32.53 H new ATOM 0 HD1 TYR A 27 10.439 -1.699 5.949 1.00 43.15 H new ATOM 0 HD2 TYR A 27 6.210 -1.218 5.544 1.00 33.44 H new ATOM 0 HE1 TYR A 27 10.776 0.515 4.947 1.00 34.23 H new ATOM 0 HE2 TYR A 27 6.558 0.997 4.562 1.00 0.41 H new ATOM 0 HH TYR A 27 8.003 2.524 3.919 1.00 73.24 H new ATOM 470 N GLN A 28 6.816 -3.996 9.319 1.00 54.41 N ATOM 471 CA GLN A 28 5.818 -4.903 9.860 1.00 21.43 C ATOM 472 C GLN A 28 4.833 -5.244 8.731 1.00 3.41 C ATOM 473 O GLN A 28 4.091 -4.375 8.275 1.00 3.33 O ATOM 474 CB GLN A 28 5.086 -4.170 11.014 1.00 22.44 C ATOM 475 CG GLN A 28 3.977 -4.977 11.714 1.00 62.55 C ATOM 476 CD GLN A 28 3.105 -4.094 12.611 1.00 52.34 C ATOM 477 OE1 GLN A 28 3.402 -3.891 13.787 1.00 22.54 O ATOM 478 NE2 GLN A 28 2.035 -3.548 12.050 1.00 31.23 N ATOM 0 H GLN A 28 6.649 -3.022 9.570 1.00 54.41 H new ATOM 0 HA GLN A 28 6.265 -5.821 10.241 1.00 21.43 H new ATOM 0 HB2 GLN A 28 5.824 -3.876 11.761 1.00 22.44 H new ATOM 0 HB3 GLN A 28 4.650 -3.252 10.619 1.00 22.44 H new ATOM 0 HG2 GLN A 28 3.352 -5.461 10.964 1.00 62.55 H new ATOM 0 HG3 GLN A 28 4.427 -5.769 12.312 1.00 62.55 H new ATOM 0 HE21 GLN A 28 1.819 -3.738 11.071 1.00 31.23 H new ATOM 0 HE22 GLN A 28 1.428 -2.938 12.597 1.00 31.23 H new ATOM 487 N VAL A 29 4.831 -6.502 8.281 1.00 3.15 N ATOM 488 CA VAL A 29 3.978 -6.924 7.164 1.00 11.21 C ATOM 489 C VAL A 29 2.659 -7.482 7.709 1.00 64.41 C ATOM 490 O VAL A 29 2.647 -8.477 8.439 1.00 3.12 O ATOM 491 CB VAL A 29 4.668 -7.981 6.238 1.00 64.31 C ATOM 492 CG1 VAL A 29 3.774 -8.279 5.012 1.00 44.22 C ATOM 493 CG2 VAL A 29 6.075 -7.508 5.798 1.00 32.12 C ATOM 0 H VAL A 29 5.409 -7.246 8.672 1.00 3.15 H new ATOM 0 HA VAL A 29 3.789 -6.044 6.549 1.00 11.21 H new ATOM 0 HB VAL A 29 4.797 -8.902 6.806 1.00 64.31 H new ATOM 0 HG11 VAL A 29 4.264 -9.015 4.375 1.00 44.22 H new ATOM 0 HG12 VAL A 29 2.814 -8.671 5.348 1.00 44.22 H new ATOM 0 HG13 VAL A 29 3.613 -7.361 4.447 1.00 44.22 H new ATOM 0 HG21 VAL A 29 6.529 -8.263 5.156 1.00 32.12 H new ATOM 0 HG22 VAL A 29 5.989 -6.570 5.250 1.00 32.12 H new ATOM 0 HG23 VAL A 29 6.700 -7.357 6.678 1.00 32.12 H new ATOM 503 N ARG A 30 1.569 -6.817 7.340 1.00 44.13 N ATOM 504 CA ARG A 30 0.207 -7.133 7.762 1.00 23.12 C ATOM 505 C ARG A 30 -0.609 -7.595 6.547 1.00 4.12 C ATOM 506 O ARG A 30 -0.632 -6.920 5.517 1.00 65.44 O ATOM 507 CB ARG A 30 -0.406 -5.869 8.422 1.00 14.34 C ATOM 508 CG ARG A 30 -1.931 -5.896 8.658 1.00 34.25 C ATOM 509 CD ARG A 30 -2.403 -7.025 9.592 1.00 32.12 C ATOM 510 NE ARG A 30 -3.860 -6.955 9.769 1.00 41.04 N ATOM 511 CZ ARG A 30 -4.652 -7.915 10.256 1.00 32.12 C ATOM 512 NH1 ARG A 30 -4.172 -9.102 10.641 1.00 34.11 N ATOM 513 NH2 ARG A 30 -5.947 -7.670 10.347 1.00 1.53 N ATOM 0 H ARG A 30 1.611 -6.012 6.715 1.00 44.13 H new ATOM 0 HA ARG A 30 0.200 -7.944 8.490 1.00 23.12 H new ATOM 0 HB2 ARG A 30 0.087 -5.710 9.381 1.00 14.34 H new ATOM 0 HB3 ARG A 30 -0.171 -5.008 7.797 1.00 14.34 H new ATOM 0 HG2 ARG A 30 -2.240 -4.939 9.078 1.00 34.25 H new ATOM 0 HG3 ARG A 30 -2.435 -6.000 7.697 1.00 34.25 H new ATOM 0 HD2 ARG A 30 -2.125 -7.993 9.175 1.00 32.12 H new ATOM 0 HD3 ARG A 30 -1.906 -6.940 10.559 1.00 32.12 H new ATOM 0 HE ARG A 30 -4.313 -6.084 9.492 1.00 41.04 H new ATOM 0 HH11 ARG A 30 -3.173 -9.297 10.567 1.00 34.11 H new ATOM 0 HH12 ARG A 30 -4.804 -9.813 11.009 1.00 34.11 H new ATOM 0 HH21 ARG A 30 -6.317 -6.767 10.049 1.00 1.53 H new ATOM 0 HH22 ARG A 30 -6.576 -8.383 10.715 1.00 1.53 H new ATOM 527 N ASP A 31 -1.260 -8.756 6.687 1.00 14.21 N ATOM 528 CA ASP A 31 -2.098 -9.355 5.646 1.00 13.34 C ATOM 529 C ASP A 31 -3.577 -9.158 6.027 1.00 23.12 C ATOM 530 O ASP A 31 -4.050 -9.727 7.020 1.00 14.45 O ATOM 531 CB ASP A 31 -1.760 -10.866 5.497 1.00 71.02 C ATOM 532 CG ASP A 31 -0.274 -11.129 5.150 1.00 3.21 C ATOM 533 OD1 ASP A 31 0.594 -11.022 6.047 1.00 13.42 O ATOM 534 OD2 ASP A 31 0.038 -11.455 3.983 1.00 1.41 O ATOM 0 H ASP A 31 -1.217 -9.313 7.541 1.00 14.21 H new ATOM 0 HA ASP A 31 -1.908 -8.872 4.687 1.00 13.34 H new ATOM 0 HB2 ASP A 31 -2.005 -11.380 6.427 1.00 71.02 H new ATOM 0 HB3 ASP A 31 -2.390 -11.297 4.719 1.00 71.02 H new ATOM 539 N VAL A 32 -4.288 -8.335 5.238 1.00 62.40 N ATOM 540 CA VAL A 32 -5.708 -8.004 5.475 1.00 72.45 C ATOM 541 C VAL A 32 -6.602 -9.059 4.802 1.00 11.41 C ATOM 542 O VAL A 32 -6.607 -9.182 3.574 1.00 45.03 O ATOM 543 CB VAL A 32 -6.071 -6.565 4.936 1.00 22.55 C ATOM 544 CG1 VAL A 32 -7.543 -6.180 5.253 1.00 64.11 C ATOM 545 CG2 VAL A 32 -5.096 -5.513 5.507 1.00 31.15 C ATOM 0 H VAL A 32 -3.895 -7.878 4.415 1.00 62.40 H new ATOM 0 HA VAL A 32 -5.880 -8.006 6.551 1.00 72.45 H new ATOM 0 HB VAL A 32 -5.969 -6.586 3.851 1.00 22.55 H new ATOM 0 HG11 VAL A 32 -7.750 -5.183 4.865 1.00 64.11 H new ATOM 0 HG12 VAL A 32 -8.216 -6.899 4.785 1.00 64.11 H new ATOM 0 HG13 VAL A 32 -7.697 -6.188 6.332 1.00 64.11 H new ATOM 0 HG21 VAL A 32 -5.360 -4.527 5.125 1.00 31.15 H new ATOM 0 HG22 VAL A 32 -5.160 -5.510 6.595 1.00 31.15 H new ATOM 0 HG23 VAL A 32 -4.078 -5.758 5.204 1.00 31.15 H new ATOM 555 N ASN A 33 -7.336 -9.823 5.623 1.00 2.51 N ATOM 556 CA ASN A 33 -8.169 -10.959 5.162 1.00 44.42 C ATOM 557 C ASN A 33 -9.638 -10.552 4.912 1.00 64.42 C ATOM 558 O ASN A 33 -10.365 -11.285 4.224 1.00 5.54 O ATOM 559 CB ASN A 33 -8.091 -12.108 6.207 1.00 53.54 C ATOM 560 CG ASN A 33 -6.691 -12.717 6.326 1.00 41.22 C ATOM 561 OD1 ASN A 33 -6.370 -13.707 5.667 1.00 64.35 O ATOM 562 ND2 ASN A 33 -5.840 -12.119 7.144 1.00 60.50 N ATOM 0 H ASN A 33 -7.373 -9.675 6.632 1.00 2.51 H new ATOM 0 HA ASN A 33 -7.774 -11.298 4.204 1.00 44.42 H new ATOM 0 HB2 ASN A 33 -8.399 -11.727 7.181 1.00 53.54 H new ATOM 0 HB3 ASN A 33 -8.799 -12.890 5.932 1.00 53.54 H new ATOM 0 HD21 ASN A 33 -4.890 -12.476 7.241 1.00 60.50 H new ATOM 0 HD22 ASN A 33 -6.134 -11.301 7.677 1.00 60.50 H new ATOM 569 N ASP A 34 -10.074 -9.393 5.458 1.00 50.32 N ATOM 570 CA ASP A 34 -11.511 -9.009 5.452 1.00 32.15 C ATOM 571 C ASP A 34 -11.696 -7.503 5.776 1.00 64.44 C ATOM 572 O ASP A 34 -10.724 -6.804 6.082 1.00 34.31 O ATOM 573 CB ASP A 34 -12.277 -9.902 6.486 1.00 62.13 C ATOM 574 CG ASP A 34 -13.796 -9.924 6.263 1.00 21.51 C ATOM 575 OD1 ASP A 34 -14.242 -10.571 5.290 1.00 20.21 O ATOM 576 OD2 ASP A 34 -14.535 -9.254 7.009 1.00 72.44 O ATOM 0 H ASP A 34 -9.461 -8.711 5.905 1.00 50.32 H new ATOM 0 HA ASP A 34 -11.920 -9.172 4.455 1.00 32.15 H new ATOM 0 HB2 ASP A 34 -11.894 -10.921 6.430 1.00 62.13 H new ATOM 0 HB3 ASP A 34 -12.070 -9.539 7.493 1.00 62.13 H new ATOM 581 N SER A 35 -12.954 -7.021 5.683 1.00 43.22 N ATOM 582 CA SER A 35 -13.346 -5.660 6.094 1.00 71.01 C ATOM 583 C SER A 35 -13.264 -5.500 7.621 1.00 63.31 C ATOM 584 O SER A 35 -12.959 -4.408 8.118 1.00 15.13 O ATOM 585 CB SER A 35 -14.775 -5.352 5.596 1.00 62.24 C ATOM 586 OG SER A 35 -15.707 -6.301 6.088 1.00 15.40 O ATOM 0 H SER A 35 -13.731 -7.572 5.317 1.00 43.22 H new ATOM 0 HA SER A 35 -12.651 -4.950 5.645 1.00 71.01 H new ATOM 0 HB2 SER A 35 -15.067 -4.352 5.917 1.00 62.24 H new ATOM 0 HB3 SER A 35 -14.791 -5.354 4.506 1.00 62.24 H new ATOM 0 HG SER A 35 -16.603 -6.081 5.758 1.00 15.40 H new ATOM 592 N ASP A 36 -13.573 -6.593 8.356 1.00 54.35 N ATOM 593 CA ASP A 36 -13.386 -6.656 9.815 1.00 23.21 C ATOM 594 C ASP A 36 -11.904 -6.486 10.163 1.00 65.15 C ATOM 595 O ASP A 36 -11.576 -5.706 11.051 1.00 44.53 O ATOM 596 CB ASP A 36 -13.968 -7.973 10.417 1.00 34.20 C ATOM 597 CG ASP A 36 -15.455 -7.852 10.786 1.00 71.10 C ATOM 598 OD1 ASP A 36 -16.314 -7.931 9.891 1.00 1.22 O ATOM 599 OD2 ASP A 36 -15.761 -7.615 11.979 1.00 35.33 O ATOM 0 H ASP A 36 -13.956 -7.448 7.953 1.00 54.35 H new ATOM 0 HA ASP A 36 -13.943 -5.834 10.265 1.00 23.21 H new ATOM 0 HB2 ASP A 36 -13.841 -8.783 9.698 1.00 34.20 H new ATOM 0 HB3 ASP A 36 -13.398 -8.244 11.306 1.00 34.20 H new ATOM 604 N GLU A 37 -11.027 -7.194 9.420 1.00 61.32 N ATOM 605 CA GLU A 37 -9.554 -7.060 9.543 1.00 13.04 C ATOM 606 C GLU A 37 -9.123 -5.600 9.374 1.00 20.24 C ATOM 607 O GLU A 37 -8.355 -5.083 10.192 1.00 53.23 O ATOM 608 CB GLU A 37 -8.844 -7.941 8.482 1.00 13.43 C ATOM 609 CG GLU A 37 -8.994 -9.455 8.711 1.00 12.34 C ATOM 610 CD GLU A 37 -8.080 -9.999 9.817 1.00 54.32 C ATOM 611 OE1 GLU A 37 -8.436 -9.912 11.014 1.00 52.42 O ATOM 612 OE2 GLU A 37 -6.976 -10.489 9.493 1.00 23.53 O ATOM 0 H GLU A 37 -11.317 -7.875 8.718 1.00 61.32 H new ATOM 0 HA GLU A 37 -9.266 -7.395 10.540 1.00 13.04 H new ATOM 0 HB2 GLU A 37 -9.241 -7.694 7.497 1.00 13.43 H new ATOM 0 HB3 GLU A 37 -7.783 -7.691 8.470 1.00 13.43 H new ATOM 0 HG2 GLU A 37 -10.031 -9.675 8.966 1.00 12.34 H new ATOM 0 HG3 GLU A 37 -8.777 -9.979 7.780 1.00 12.34 H new ATOM 619 N LEU A 38 -9.675 -4.960 8.322 1.00 43.13 N ATOM 620 CA LEU A 38 -9.382 -3.567 7.953 1.00 33.15 C ATOM 621 C LEU A 38 -9.653 -2.601 9.119 1.00 4.34 C ATOM 622 O LEU A 38 -8.756 -1.880 9.548 1.00 62.43 O ATOM 623 CB LEU A 38 -10.241 -3.144 6.733 1.00 63.11 C ATOM 624 CG LEU A 38 -10.087 -1.652 6.280 1.00 1.44 C ATOM 625 CD1 LEU A 38 -8.693 -1.396 5.689 1.00 2.43 C ATOM 626 CD2 LEU A 38 -11.207 -1.229 5.310 1.00 0.20 C ATOM 0 H LEU A 38 -10.347 -5.407 7.698 1.00 43.13 H new ATOM 0 HA LEU A 38 -8.323 -3.514 7.700 1.00 33.15 H new ATOM 0 HB2 LEU A 38 -9.987 -3.788 5.891 1.00 63.11 H new ATOM 0 HB3 LEU A 38 -11.289 -3.327 6.969 1.00 63.11 H new ATOM 0 HG LEU A 38 -10.188 -1.027 7.167 1.00 1.44 H new ATOM 0 HD11 LEU A 38 -8.614 -0.353 5.383 1.00 2.43 H new ATOM 0 HD12 LEU A 38 -7.934 -1.612 6.441 1.00 2.43 H new ATOM 0 HD13 LEU A 38 -8.541 -2.041 4.823 1.00 2.43 H new ATOM 0 HD21 LEU A 38 -11.063 -0.188 5.020 1.00 0.20 H new ATOM 0 HD22 LEU A 38 -11.177 -1.860 4.422 1.00 0.20 H new ATOM 0 HD23 LEU A 38 -12.174 -1.339 5.801 1.00 0.20 H new ATOM 638 N LYS A 39 -10.906 -2.593 9.617 1.00 13.10 N ATOM 639 CA LYS A 39 -11.313 -1.647 10.663 1.00 45.53 C ATOM 640 C LYS A 39 -10.562 -1.931 11.977 1.00 1.32 C ATOM 641 O LYS A 39 -10.162 -0.996 12.655 1.00 10.12 O ATOM 642 CB LYS A 39 -12.871 -1.608 10.825 1.00 0.23 C ATOM 643 CG LYS A 39 -13.580 -2.949 11.161 1.00 70.13 C ATOM 644 CD LYS A 39 -13.597 -3.292 12.673 1.00 54.31 C ATOM 645 CE LYS A 39 -14.283 -4.634 12.970 1.00 12.40 C ATOM 646 NZ LYS A 39 -15.704 -4.663 12.512 1.00 0.20 N ATOM 0 H LYS A 39 -11.644 -3.227 9.312 1.00 13.10 H new ATOM 0 HA LYS A 39 -11.026 -0.641 10.358 1.00 45.53 H new ATOM 0 HB2 LYS A 39 -13.112 -0.892 11.610 1.00 0.23 H new ATOM 0 HB3 LYS A 39 -13.298 -1.222 9.899 1.00 0.23 H new ATOM 0 HG2 LYS A 39 -14.607 -2.906 10.797 1.00 70.13 H new ATOM 0 HG3 LYS A 39 -13.084 -3.756 10.622 1.00 70.13 H new ATOM 0 HD2 LYS A 39 -12.573 -3.322 13.046 1.00 54.31 H new ATOM 0 HD3 LYS A 39 -14.111 -2.498 13.215 1.00 54.31 H new ATOM 0 HE2 LYS A 39 -13.731 -5.437 12.482 1.00 12.40 H new ATOM 0 HE3 LYS A 39 -14.246 -4.828 14.042 1.00 12.40 H new ATOM 0 HZ1 LYS A 39 -16.122 -5.589 12.735 1.00 0.20 H new ATOM 0 HZ2 LYS A 39 -16.240 -3.915 12.997 1.00 0.20 H new ATOM 0 HZ3 LYS A 39 -15.741 -4.505 11.485 1.00 0.20 H new ATOM 660 N LYS A 40 -10.323 -3.231 12.286 1.00 52.33 N ATOM 661 CA LYS A 40 -9.596 -3.663 13.503 1.00 43.25 C ATOM 662 C LYS A 40 -8.211 -3.002 13.595 1.00 13.10 C ATOM 663 O LYS A 40 -7.867 -2.414 14.631 1.00 33.31 O ATOM 664 CB LYS A 40 -9.451 -5.215 13.536 1.00 11.43 C ATOM 665 CG LYS A 40 -10.721 -5.989 13.967 1.00 20.04 C ATOM 666 CD LYS A 40 -11.050 -5.840 15.464 1.00 72.31 C ATOM 667 CE LYS A 40 -9.930 -6.396 16.367 1.00 1.42 C ATOM 668 NZ LYS A 40 -9.623 -7.831 16.090 1.00 4.45 N ATOM 0 H LYS A 40 -10.629 -4.006 11.698 1.00 52.33 H new ATOM 0 HA LYS A 40 -10.182 -3.344 14.365 1.00 43.25 H new ATOM 0 HB2 LYS A 40 -9.156 -5.557 12.544 1.00 11.43 H new ATOM 0 HB3 LYS A 40 -8.640 -5.473 14.216 1.00 11.43 H new ATOM 0 HG2 LYS A 40 -11.569 -5.637 13.380 1.00 20.04 H new ATOM 0 HG3 LYS A 40 -10.590 -7.046 13.735 1.00 20.04 H new ATOM 0 HD2 LYS A 40 -11.211 -4.787 15.695 1.00 72.31 H new ATOM 0 HD3 LYS A 40 -11.982 -6.361 15.683 1.00 72.31 H new ATOM 0 HE2 LYS A 40 -9.027 -5.802 16.226 1.00 1.42 H new ATOM 0 HE3 LYS A 40 -10.223 -6.287 17.411 1.00 1.42 H new ATOM 0 HZ1 LYS A 40 -8.964 -8.190 16.810 1.00 4.45 H new ATOM 0 HZ2 LYS A 40 -10.502 -8.386 16.118 1.00 4.45 H new ATOM 0 HZ3 LYS A 40 -9.189 -7.918 15.149 1.00 4.45 H new ATOM 682 N GLU A 41 -7.436 -3.087 12.496 1.00 55.11 N ATOM 683 CA GLU A 41 -6.085 -2.523 12.452 1.00 62.02 C ATOM 684 C GLU A 41 -6.138 -0.986 12.364 1.00 73.20 C ATOM 685 O GLU A 41 -5.242 -0.331 12.866 1.00 43.24 O ATOM 686 CB GLU A 41 -5.271 -3.148 11.293 1.00 3.51 C ATOM 687 CG GLU A 41 -5.836 -2.880 9.887 1.00 51.13 C ATOM 688 CD GLU A 41 -5.287 -3.844 8.832 1.00 43.33 C ATOM 689 OE1 GLU A 41 -5.831 -4.970 8.709 1.00 64.22 O ATOM 690 OE2 GLU A 41 -4.288 -3.509 8.166 1.00 61.03 O ATOM 0 H GLU A 41 -7.728 -3.542 11.631 1.00 55.11 H new ATOM 0 HA GLU A 41 -5.570 -2.773 13.379 1.00 62.02 H new ATOM 0 HB2 GLU A 41 -4.251 -2.767 11.338 1.00 3.51 H new ATOM 0 HB3 GLU A 41 -5.215 -4.226 11.447 1.00 3.51 H new ATOM 0 HG2 GLU A 41 -6.923 -2.961 9.916 1.00 51.13 H new ATOM 0 HG3 GLU A 41 -5.600 -1.857 9.595 1.00 51.13 H new ATOM 697 N MET A 42 -7.226 -0.421 11.782 1.00 75.11 N ATOM 698 CA MET A 42 -7.421 1.048 11.697 1.00 54.31 C ATOM 699 C MET A 42 -7.514 1.688 13.101 1.00 60.44 C ATOM 700 O MET A 42 -6.942 2.768 13.328 1.00 32.42 O ATOM 701 CB MET A 42 -8.675 1.409 10.835 1.00 62.12 C ATOM 702 CG MET A 42 -8.498 1.252 9.298 1.00 14.43 C ATOM 703 SD MET A 42 -7.944 2.767 8.462 1.00 12.12 S ATOM 704 CE MET A 42 -6.281 3.022 9.083 1.00 34.31 C ATOM 0 H MET A 42 -7.983 -0.962 11.364 1.00 75.11 H new ATOM 0 HA MET A 42 -6.544 1.462 11.200 1.00 54.31 H new ATOM 0 HB2 MET A 42 -9.507 0.780 11.154 1.00 62.12 H new ATOM 0 HB3 MET A 42 -8.956 2.441 11.047 1.00 62.12 H new ATOM 0 HG2 MET A 42 -7.777 0.458 9.104 1.00 14.43 H new ATOM 0 HG3 MET A 42 -9.446 0.935 8.864 1.00 14.43 H new ATOM 0 HE1 MET A 42 -5.865 3.930 8.647 1.00 34.31 H new ATOM 0 HE2 MET A 42 -6.309 3.121 10.168 1.00 34.31 H new ATOM 0 HE3 MET A 42 -5.657 2.170 8.812 1.00 34.31 H new ATOM 714 N LYS A 43 -8.213 1.004 14.040 1.00 45.34 N ATOM 715 CA LYS A 43 -8.272 1.425 15.462 1.00 25.31 C ATOM 716 C LYS A 43 -6.857 1.443 16.074 1.00 54.25 C ATOM 717 O LYS A 43 -6.533 2.320 16.866 1.00 53.14 O ATOM 718 CB LYS A 43 -9.200 0.505 16.326 1.00 2.33 C ATOM 719 CG LYS A 43 -10.724 0.817 16.268 1.00 75.12 C ATOM 720 CD LYS A 43 -11.405 0.348 14.969 1.00 12.21 C ATOM 721 CE LYS A 43 -12.943 0.424 15.014 1.00 50.14 C ATOM 722 NZ LYS A 43 -13.444 1.820 15.111 1.00 23.02 N ATOM 0 H LYS A 43 -8.744 0.157 13.838 1.00 45.34 H new ATOM 0 HA LYS A 43 -8.698 2.428 15.473 1.00 25.31 H new ATOM 0 HB2 LYS A 43 -9.049 -0.527 16.010 1.00 2.33 H new ATOM 0 HB3 LYS A 43 -8.876 0.571 17.365 1.00 2.33 H new ATOM 0 HG2 LYS A 43 -11.215 0.342 17.117 1.00 75.12 H new ATOM 0 HG3 LYS A 43 -10.870 1.892 16.376 1.00 75.12 H new ATOM 0 HD2 LYS A 43 -11.044 0.957 14.140 1.00 12.21 H new ATOM 0 HD3 LYS A 43 -11.107 -0.680 14.763 1.00 12.21 H new ATOM 0 HE2 LYS A 43 -13.352 -0.044 14.119 1.00 50.14 H new ATOM 0 HE3 LYS A 43 -13.307 -0.149 15.867 1.00 50.14 H new ATOM 0 HZ1 LYS A 43 -14.484 1.815 15.138 1.00 23.02 H new ATOM 0 HZ2 LYS A 43 -13.077 2.261 15.979 1.00 23.02 H new ATOM 0 HZ3 LYS A 43 -13.122 2.363 14.284 1.00 23.02 H new ATOM 736 N LYS A 44 -6.024 0.463 15.676 1.00 52.12 N ATOM 737 CA LYS A 44 -4.641 0.320 16.174 1.00 5.13 C ATOM 738 C LYS A 44 -3.736 1.426 15.606 1.00 22.04 C ATOM 739 O LYS A 44 -2.867 1.940 16.302 1.00 62.54 O ATOM 740 CB LYS A 44 -4.083 -1.088 15.814 1.00 43.11 C ATOM 741 CG LYS A 44 -4.952 -2.304 16.265 1.00 41.32 C ATOM 742 CD LYS A 44 -4.892 -2.628 17.788 1.00 43.13 C ATOM 743 CE LYS A 44 -5.707 -1.669 18.677 1.00 30.54 C ATOM 744 NZ LYS A 44 -5.653 -2.054 20.109 1.00 51.41 N ATOM 0 H LYS A 44 -6.290 -0.253 15.000 1.00 52.12 H new ATOM 0 HA LYS A 44 -4.653 0.422 17.259 1.00 5.13 H new ATOM 0 HB2 LYS A 44 -3.954 -1.140 14.733 1.00 43.11 H new ATOM 0 HB3 LYS A 44 -3.093 -1.189 16.259 1.00 43.11 H new ATOM 0 HG2 LYS A 44 -5.989 -2.112 15.990 1.00 41.32 H new ATOM 0 HG3 LYS A 44 -4.633 -3.185 15.709 1.00 41.32 H new ATOM 0 HD2 LYS A 44 -5.253 -3.644 17.945 1.00 43.13 H new ATOM 0 HD3 LYS A 44 -3.851 -2.606 18.111 1.00 43.13 H new ATOM 0 HE2 LYS A 44 -5.326 -0.655 18.560 1.00 30.54 H new ATOM 0 HE3 LYS A 44 -6.745 -1.660 18.343 1.00 30.54 H new ATOM 0 HZ1 LYS A 44 -6.214 -1.382 20.670 1.00 51.41 H new ATOM 0 HZ2 LYS A 44 -6.041 -3.012 20.226 1.00 51.41 H new ATOM 0 HZ3 LYS A 44 -4.666 -2.038 20.436 1.00 51.41 H new ATOM 758 N LEU A 45 -3.974 1.799 14.342 1.00 42.23 N ATOM 759 CA LEU A 45 -3.181 2.830 13.649 1.00 4.41 C ATOM 760 C LEU A 45 -3.557 4.241 14.146 1.00 33.02 C ATOM 761 O LEU A 45 -2.761 5.184 14.020 1.00 42.03 O ATOM 762 CB LEU A 45 -3.360 2.699 12.107 1.00 71.13 C ATOM 763 CG LEU A 45 -3.002 1.296 11.508 1.00 3.43 C ATOM 764 CD1 LEU A 45 -3.152 1.252 9.980 1.00 72.54 C ATOM 765 CD2 LEU A 45 -1.606 0.829 11.945 1.00 63.41 C ATOM 0 H LEU A 45 -4.718 1.398 13.770 1.00 42.23 H new ATOM 0 HA LEU A 45 -2.127 2.676 13.881 1.00 4.41 H new ATOM 0 HB2 LEU A 45 -4.396 2.929 11.857 1.00 71.13 H new ATOM 0 HB3 LEU A 45 -2.740 3.452 11.621 1.00 71.13 H new ATOM 0 HG LEU A 45 -3.729 0.594 11.917 1.00 3.43 H new ATOM 0 HD11 LEU A 45 -2.892 0.258 9.617 1.00 72.54 H new ATOM 0 HD12 LEU A 45 -4.183 1.479 9.709 1.00 72.54 H new ATOM 0 HD13 LEU A 45 -2.488 1.989 9.528 1.00 72.54 H new ATOM 0 HD21 LEU A 45 -1.396 -0.148 11.509 1.00 63.41 H new ATOM 0 HD22 LEU A 45 -0.859 1.547 11.605 1.00 63.41 H new ATOM 0 HD23 LEU A 45 -1.571 0.756 13.032 1.00 63.41 H new ATOM 777 N ALA A 46 -4.774 4.364 14.708 1.00 42.34 N ATOM 778 CA ALA A 46 -5.283 5.620 15.279 1.00 5.34 C ATOM 779 C ALA A 46 -4.869 5.810 16.757 1.00 40.15 C ATOM 780 O ALA A 46 -4.353 6.868 17.140 1.00 41.45 O ATOM 781 CB ALA A 46 -6.809 5.637 15.155 1.00 10.53 C ATOM 0 H ALA A 46 -5.434 3.589 14.778 1.00 42.34 H new ATOM 0 HA ALA A 46 -4.844 6.447 14.721 1.00 5.34 H new ATOM 0 HB1 ALA A 46 -7.198 6.564 15.575 1.00 10.53 H new ATOM 0 HB2 ALA A 46 -7.089 5.570 14.104 1.00 10.53 H new ATOM 0 HB3 ALA A 46 -7.228 4.789 15.697 1.00 10.53 H new ATOM 787 N GLU A 47 -5.101 4.773 17.580 1.00 13.33 N ATOM 788 CA GLU A 47 -4.920 4.837 19.049 1.00 3.03 C ATOM 789 C GLU A 47 -3.451 4.625 19.438 1.00 33.42 C ATOM 790 O GLU A 47 -2.872 5.440 20.164 1.00 52.04 O ATOM 791 CB GLU A 47 -5.843 3.805 19.743 1.00 61.21 C ATOM 792 CG GLU A 47 -7.346 4.103 19.559 1.00 62.42 C ATOM 793 CD GLU A 47 -8.256 2.996 20.103 1.00 61.12 C ATOM 794 OE1 GLU A 47 -8.480 2.005 19.381 1.00 21.10 O ATOM 795 OE2 GLU A 47 -8.737 3.105 21.250 1.00 35.15 O ATOM 0 H GLU A 47 -5.420 3.863 17.249 1.00 13.33 H new ATOM 0 HA GLU A 47 -5.201 5.833 19.390 1.00 3.03 H new ATOM 0 HB2 GLU A 47 -5.626 2.812 19.348 1.00 61.21 H new ATOM 0 HB3 GLU A 47 -5.613 3.782 20.808 1.00 61.21 H new ATOM 0 HG2 GLU A 47 -7.587 5.041 20.060 1.00 62.42 H new ATOM 0 HG3 GLU A 47 -7.554 4.246 18.499 1.00 62.42 H new ATOM 802 N GLU A 48 -2.854 3.533 18.946 1.00 41.20 N ATOM 803 CA GLU A 48 -1.423 3.266 19.141 1.00 42.33 C ATOM 804 C GLU A 48 -0.638 4.218 18.223 1.00 72.25 C ATOM 805 O GLU A 48 -0.495 3.961 17.026 1.00 22.42 O ATOM 806 CB GLU A 48 -1.091 1.784 18.836 1.00 23.34 C ATOM 807 CG GLU A 48 0.357 1.366 19.160 1.00 72.41 C ATOM 808 CD GLU A 48 0.698 -0.043 18.658 1.00 4.23 C ATOM 809 OE1 GLU A 48 0.185 -1.027 19.232 1.00 71.43 O ATOM 810 OE2 GLU A 48 1.476 -0.172 17.689 1.00 74.23 O ATOM 0 H GLU A 48 -3.342 2.817 18.408 1.00 41.20 H new ATOM 0 HA GLU A 48 -1.143 3.441 20.180 1.00 42.33 H new ATOM 0 HB2 GLU A 48 -1.773 1.150 19.402 1.00 23.34 H new ATOM 0 HB3 GLU A 48 -1.282 1.594 17.780 1.00 23.34 H new ATOM 0 HG2 GLU A 48 1.046 2.082 18.712 1.00 72.41 H new ATOM 0 HG3 GLU A 48 0.510 1.409 20.238 1.00 72.41 H new ATOM 817 N LYS A 49 -0.171 5.334 18.800 1.00 14.25 N ATOM 818 CA LYS A 49 0.456 6.451 18.062 1.00 54.41 C ATOM 819 C LYS A 49 1.968 6.227 17.834 1.00 62.21 C ATOM 820 O LYS A 49 2.722 7.193 17.637 1.00 12.31 O ATOM 821 CB LYS A 49 0.185 7.773 18.834 1.00 34.55 C ATOM 822 CG LYS A 49 -1.312 8.155 18.922 1.00 25.20 C ATOM 823 CD LYS A 49 -1.608 9.382 19.826 1.00 63.33 C ATOM 824 CE LYS A 49 -1.065 10.724 19.275 1.00 40.23 C ATOM 825 NZ LYS A 49 0.416 10.859 19.388 1.00 4.15 N ATOM 0 H LYS A 49 -0.217 5.493 19.806 1.00 14.25 H new ATOM 0 HA LYS A 49 0.011 6.510 17.069 1.00 54.41 H new ATOM 0 HB2 LYS A 49 0.586 7.681 19.843 1.00 34.55 H new ATOM 0 HB3 LYS A 49 0.728 8.583 18.348 1.00 34.55 H new ATOM 0 HG2 LYS A 49 -1.682 8.361 17.918 1.00 25.20 H new ATOM 0 HG3 LYS A 49 -1.872 7.298 19.298 1.00 25.20 H new ATOM 0 HD2 LYS A 49 -2.686 9.468 19.961 1.00 63.33 H new ATOM 0 HD3 LYS A 49 -1.176 9.206 20.811 1.00 63.33 H new ATOM 0 HE2 LYS A 49 -1.352 10.820 18.228 1.00 40.23 H new ATOM 0 HE3 LYS A 49 -1.539 11.546 19.812 1.00 40.23 H new ATOM 0 HZ1 LYS A 49 0.651 11.799 19.765 1.00 4.15 H new ATOM 0 HZ2 LYS A 49 0.783 10.127 20.029 1.00 4.15 H new ATOM 0 HZ3 LYS A 49 0.848 10.745 18.449 1.00 4.15 H new ATOM 839 N ASN A 50 2.387 4.946 17.822 1.00 3.14 N ATOM 840 CA ASN A 50 3.771 4.552 17.518 1.00 43.40 C ATOM 841 C ASN A 50 4.096 4.831 16.047 1.00 72.53 C ATOM 842 O ASN A 50 3.259 4.602 15.165 1.00 44.45 O ATOM 843 CB ASN A 50 4.011 3.039 17.814 1.00 63.11 C ATOM 844 CG ASN A 50 3.892 2.655 19.289 1.00 62.34 C ATOM 845 OD1 ASN A 50 3.082 3.205 20.027 1.00 14.42 O ATOM 846 ND2 ASN A 50 4.707 1.710 19.730 1.00 11.52 N ATOM 0 H ASN A 50 1.772 4.157 18.023 1.00 3.14 H new ATOM 0 HA ASN A 50 4.425 5.143 18.159 1.00 43.40 H new ATOM 0 HB2 ASN A 50 3.295 2.451 17.240 1.00 63.11 H new ATOM 0 HB3 ASN A 50 5.005 2.766 17.459 1.00 63.11 H new ATOM 0 HD21 ASN A 50 4.671 1.421 20.708 1.00 11.52 H new ATOM 0 HD22 ASN A 50 5.371 1.270 19.092 1.00 11.52 H new ATOM 853 N PHE A 51 5.308 5.339 15.799 1.00 54.23 N ATOM 854 CA PHE A 51 5.852 5.446 14.446 1.00 31.43 C ATOM 855 C PHE A 51 6.246 4.036 13.972 1.00 14.04 C ATOM 856 O PHE A 51 7.232 3.462 14.455 1.00 64.22 O ATOM 857 CB PHE A 51 7.063 6.417 14.408 1.00 53.30 C ATOM 858 CG PHE A 51 7.765 6.472 13.048 1.00 5.25 C ATOM 859 CD1 PHE A 51 7.182 7.143 11.972 1.00 3.35 C ATOM 860 CD2 PHE A 51 8.983 5.824 12.841 1.00 73.33 C ATOM 861 CE1 PHE A 51 7.800 7.166 10.744 1.00 34.41 C ATOM 862 CE2 PHE A 51 9.596 5.846 11.610 1.00 61.42 C ATOM 863 CZ PHE A 51 9.006 6.513 10.564 1.00 11.33 C ATOM 0 H PHE A 51 5.934 5.685 16.527 1.00 54.23 H new ATOM 0 HA PHE A 51 5.099 5.859 13.774 1.00 31.43 H new ATOM 0 HB2 PHE A 51 6.723 7.418 14.672 1.00 53.30 H new ATOM 0 HB3 PHE A 51 7.784 6.114 15.167 1.00 53.30 H new ATOM 0 HD1 PHE A 51 6.237 7.649 12.105 1.00 3.35 H new ATOM 0 HD2 PHE A 51 9.451 5.297 13.659 1.00 73.33 H new ATOM 0 HE1 PHE A 51 7.344 7.694 9.920 1.00 34.41 H new ATOM 0 HE2 PHE A 51 10.539 5.340 11.466 1.00 61.42 H new ATOM 0 HZ PHE A 51 9.486 6.528 9.597 1.00 11.33 H new ATOM 873 N GLU A 52 5.446 3.466 13.060 1.00 25.33 N ATOM 874 CA GLU A 52 5.690 2.121 12.525 1.00 34.41 C ATOM 875 C GLU A 52 5.657 2.147 10.992 1.00 64.12 C ATOM 876 O GLU A 52 4.835 2.844 10.382 1.00 60.34 O ATOM 877 CB GLU A 52 4.657 1.104 13.080 1.00 41.43 C ATOM 878 CG GLU A 52 4.923 -0.370 12.673 1.00 21.42 C ATOM 879 CD GLU A 52 6.227 -0.950 13.248 1.00 53.25 C ATOM 880 OE1 GLU A 52 6.205 -1.448 14.398 1.00 24.24 O ATOM 881 OE2 GLU A 52 7.287 -0.893 12.566 1.00 64.01 O ATOM 0 H GLU A 52 4.618 3.921 12.675 1.00 25.33 H new ATOM 0 HA GLU A 52 6.680 1.798 12.847 1.00 34.41 H new ATOM 0 HB2 GLU A 52 4.648 1.171 14.168 1.00 41.43 H new ATOM 0 HB3 GLU A 52 3.663 1.389 12.735 1.00 41.43 H new ATOM 0 HG2 GLU A 52 4.086 -0.985 13.004 1.00 21.42 H new ATOM 0 HG3 GLU A 52 4.956 -0.436 11.586 1.00 21.42 H new ATOM 888 N LYS A 53 6.586 1.395 10.400 1.00 3.22 N ATOM 889 CA LYS A 53 6.653 1.149 8.963 1.00 72.20 C ATOM 890 C LYS A 53 5.894 -0.157 8.696 1.00 72.43 C ATOM 891 O LYS A 53 6.320 -1.201 9.169 1.00 30.21 O ATOM 892 CB LYS A 53 8.136 1.026 8.536 1.00 11.04 C ATOM 893 CG LYS A 53 9.033 2.216 8.955 1.00 14.21 C ATOM 894 CD LYS A 53 10.524 1.987 8.619 1.00 12.11 C ATOM 895 CE LYS A 53 11.091 0.694 9.251 1.00 50.13 C ATOM 896 NZ LYS A 53 10.946 0.672 10.733 1.00 23.35 N ATOM 0 H LYS A 53 7.329 0.930 10.921 1.00 3.22 H new ATOM 0 HA LYS A 53 6.207 1.963 8.392 1.00 72.20 H new ATOM 0 HB2 LYS A 53 8.548 0.111 8.962 1.00 11.04 H new ATOM 0 HB3 LYS A 53 8.180 0.920 7.452 1.00 11.04 H new ATOM 0 HG2 LYS A 53 8.687 3.120 8.454 1.00 14.21 H new ATOM 0 HG3 LYS A 53 8.928 2.385 10.027 1.00 14.21 H new ATOM 0 HD2 LYS A 53 10.644 1.940 7.537 1.00 12.11 H new ATOM 0 HD3 LYS A 53 11.105 2.841 8.967 1.00 12.11 H new ATOM 0 HE2 LYS A 53 10.578 -0.169 8.826 1.00 50.13 H new ATOM 0 HE3 LYS A 53 12.145 0.598 8.991 1.00 50.13 H new ATOM 0 HZ1 LYS A 53 11.386 -0.191 11.112 1.00 23.35 H new ATOM 0 HZ2 LYS A 53 11.414 1.507 11.140 1.00 23.35 H new ATOM 0 HZ3 LYS A 53 9.937 0.684 10.983 1.00 23.35 H new ATOM 910 N ILE A 54 4.756 -0.096 7.987 1.00 4.03 N ATOM 911 CA ILE A 54 3.870 -1.260 7.780 1.00 31.43 C ATOM 912 C ILE A 54 3.634 -1.509 6.287 1.00 52.51 C ATOM 913 O ILE A 54 3.310 -0.582 5.548 1.00 31.01 O ATOM 914 CB ILE A 54 2.477 -1.058 8.501 1.00 3.32 C ATOM 915 CG1 ILE A 54 2.686 -0.754 10.009 1.00 0.14 C ATOM 916 CG2 ILE A 54 1.550 -2.289 8.320 1.00 2.10 C ATOM 917 CD1 ILE A 54 1.426 -0.454 10.794 1.00 65.24 C ATOM 0 H ILE A 54 4.422 0.758 7.541 1.00 4.03 H new ATOM 0 HA ILE A 54 4.370 -2.125 8.215 1.00 31.43 H new ATOM 0 HB ILE A 54 1.986 -0.205 8.032 1.00 3.32 H new ATOM 0 HG12 ILE A 54 3.185 -1.608 10.468 1.00 0.14 H new ATOM 0 HG13 ILE A 54 3.361 0.097 10.100 1.00 0.14 H new ATOM 0 HG21 ILE A 54 0.604 -2.110 8.830 1.00 2.10 H new ATOM 0 HG22 ILE A 54 1.365 -2.452 7.258 1.00 2.10 H new ATOM 0 HG23 ILE A 54 2.030 -3.171 8.744 1.00 2.10 H new ATOM 0 HD11 ILE A 54 1.684 -0.256 11.834 1.00 65.24 H new ATOM 0 HD12 ILE A 54 0.933 0.420 10.370 1.00 65.24 H new ATOM 0 HD13 ILE A 54 0.753 -1.310 10.744 1.00 65.24 H new ATOM 929 N LEU A 55 3.812 -2.762 5.843 1.00 72.54 N ATOM 930 CA LEU A 55 3.345 -3.215 4.527 1.00 34.14 C ATOM 931 C LEU A 55 1.921 -3.768 4.684 1.00 1.14 C ATOM 932 O LEU A 55 1.622 -4.420 5.684 1.00 20.54 O ATOM 933 CB LEU A 55 4.254 -4.323 3.938 1.00 45.30 C ATOM 934 CG LEU A 55 3.961 -4.679 2.438 1.00 31.41 C ATOM 935 CD1 LEU A 55 4.433 -3.546 1.514 1.00 74.15 C ATOM 936 CD2 LEU A 55 4.569 -6.030 2.026 1.00 50.23 C ATOM 0 H LEU A 55 4.282 -3.487 6.385 1.00 72.54 H new ATOM 0 HA LEU A 55 3.370 -2.367 3.843 1.00 34.14 H new ATOM 0 HB2 LEU A 55 5.293 -4.007 4.026 1.00 45.30 H new ATOM 0 HB3 LEU A 55 4.142 -5.225 4.540 1.00 45.30 H new ATOM 0 HG LEU A 55 2.881 -4.783 2.333 1.00 31.41 H new ATOM 0 HD11 LEU A 55 4.222 -3.810 0.478 1.00 74.15 H new ATOM 0 HD12 LEU A 55 3.907 -2.626 1.769 1.00 74.15 H new ATOM 0 HD13 LEU A 55 5.506 -3.397 1.639 1.00 74.15 H new ATOM 0 HD21 LEU A 55 4.338 -6.229 0.980 1.00 50.23 H new ATOM 0 HD22 LEU A 55 5.650 -5.998 2.159 1.00 50.23 H new ATOM 0 HD23 LEU A 55 4.151 -6.822 2.647 1.00 50.23 H new ATOM 948 N ILE A 56 1.046 -3.495 3.714 1.00 22.40 N ATOM 949 CA ILE A 56 -0.319 -4.036 3.682 1.00 63.12 C ATOM 950 C ILE A 56 -0.491 -4.923 2.438 1.00 72.44 C ATOM 951 O ILE A 56 -0.284 -4.468 1.308 1.00 34.23 O ATOM 952 CB ILE A 56 -1.385 -2.883 3.687 1.00 63.11 C ATOM 953 CG1 ILE A 56 -1.282 -2.017 4.994 1.00 44.41 C ATOM 954 CG2 ILE A 56 -2.822 -3.430 3.486 1.00 15.24 C ATOM 955 CD1 ILE A 56 -1.565 -2.763 6.288 1.00 73.55 C ATOM 0 H ILE A 56 1.264 -2.889 2.923 1.00 22.40 H new ATOM 0 HA ILE A 56 -0.477 -4.637 4.578 1.00 63.12 H new ATOM 0 HB ILE A 56 -1.164 -2.234 2.840 1.00 63.11 H new ATOM 0 HG12 ILE A 56 -0.280 -1.591 5.050 1.00 44.41 H new ATOM 0 HG13 ILE A 56 -1.979 -1.183 4.914 1.00 44.41 H new ATOM 0 HG21 ILE A 56 -3.531 -2.602 3.495 1.00 15.24 H new ATOM 0 HG22 ILE A 56 -2.883 -3.949 2.530 1.00 15.24 H new ATOM 0 HG23 ILE A 56 -3.063 -4.124 4.292 1.00 15.24 H new ATOM 0 HD11 ILE A 56 -1.468 -2.079 7.131 1.00 73.55 H new ATOM 0 HD12 ILE A 56 -2.577 -3.166 6.262 1.00 73.55 H new ATOM 0 HD13 ILE A 56 -0.852 -3.580 6.400 1.00 73.55 H new ATOM 967 N LYS A 57 -0.846 -6.191 2.665 1.00 1.02 N ATOM 968 CA LYS A 57 -1.191 -7.149 1.622 1.00 51.42 C ATOM 969 C LYS A 57 -2.722 -7.220 1.526 1.00 62.12 C ATOM 970 O LYS A 57 -3.389 -7.613 2.490 1.00 30.30 O ATOM 971 CB LYS A 57 -0.553 -8.532 1.975 1.00 21.24 C ATOM 972 CG LYS A 57 -0.907 -9.726 1.034 1.00 33.41 C ATOM 973 CD LYS A 57 -2.134 -10.549 1.501 1.00 60.35 C ATOM 974 CE LYS A 57 -2.396 -11.786 0.625 1.00 30.44 C ATOM 975 NZ LYS A 57 -2.661 -11.435 -0.801 1.00 54.34 N ATOM 0 H LYS A 57 -0.901 -6.585 3.604 1.00 1.02 H new ATOM 0 HA LYS A 57 -0.801 -6.846 0.650 1.00 51.42 H new ATOM 0 HB2 LYS A 57 0.531 -8.415 1.984 1.00 21.24 H new ATOM 0 HB3 LYS A 57 -0.853 -8.797 2.989 1.00 21.24 H new ATOM 0 HG2 LYS A 57 -1.099 -9.342 0.032 1.00 33.41 H new ATOM 0 HG3 LYS A 57 -0.044 -10.388 0.962 1.00 33.41 H new ATOM 0 HD2 LYS A 57 -1.980 -10.867 2.532 1.00 60.35 H new ATOM 0 HD3 LYS A 57 -3.017 -9.911 1.492 1.00 60.35 H new ATOM 0 HE2 LYS A 57 -1.535 -12.452 0.677 1.00 30.44 H new ATOM 0 HE3 LYS A 57 -3.249 -12.335 1.024 1.00 30.44 H new ATOM 0 HZ1 LYS A 57 -3.593 -11.801 -1.081 1.00 54.34 H new ATOM 0 HZ2 LYS A 57 -2.648 -10.401 -0.912 1.00 54.34 H new ATOM 0 HZ3 LYS A 57 -1.927 -11.858 -1.405 1.00 54.34 H new ATOM 989 N SER A 58 -3.264 -6.813 0.375 1.00 33.24 N ATOM 990 CA SER A 58 -4.707 -6.882 0.093 1.00 3.22 C ATOM 991 C SER A 58 -4.934 -6.890 -1.431 1.00 61.24 C ATOM 992 O SER A 58 -3.997 -6.684 -2.212 1.00 51.25 O ATOM 993 CB SER A 58 -5.443 -5.697 0.779 1.00 33.43 C ATOM 994 OG SER A 58 -6.852 -5.778 0.607 1.00 0.14 O ATOM 0 H SER A 58 -2.716 -6.425 -0.392 1.00 33.24 H new ATOM 0 HA SER A 58 -5.120 -7.804 0.502 1.00 3.22 H new ATOM 0 HB2 SER A 58 -5.207 -5.690 1.843 1.00 33.43 H new ATOM 0 HB3 SER A 58 -5.080 -4.756 0.366 1.00 33.43 H new ATOM 0 HG SER A 58 -7.280 -5.018 1.053 1.00 0.14 H new ATOM 1000 N ASN A 59 -6.173 -7.179 -1.850 1.00 25.13 N ATOM 1001 CA ASN A 59 -6.577 -7.209 -3.280 1.00 51.41 C ATOM 1002 C ASN A 59 -7.909 -6.465 -3.465 1.00 33.12 C ATOM 1003 O ASN A 59 -8.175 -5.905 -4.538 1.00 4.30 O ATOM 1004 CB ASN A 59 -6.707 -8.676 -3.781 1.00 61.24 C ATOM 1005 CG ASN A 59 -6.945 -8.815 -5.293 1.00 12.53 C ATOM 1006 OD1 ASN A 59 -6.470 -8.011 -6.098 1.00 1.13 O ATOM 1007 ND2 ASN A 59 -7.669 -9.854 -5.693 1.00 10.44 N ATOM 0 H ASN A 59 -6.935 -7.401 -1.210 1.00 25.13 H new ATOM 0 HA ASN A 59 -5.807 -6.711 -3.870 1.00 51.41 H new ATOM 0 HB2 ASN A 59 -5.799 -9.218 -3.518 1.00 61.24 H new ATOM 0 HB3 ASN A 59 -7.530 -9.156 -3.251 1.00 61.24 H new ATOM 0 HD21 ASN A 59 -7.843 -10.002 -6.687 1.00 10.44 H new ATOM 0 HD22 ASN A 59 -8.051 -10.504 -5.006 1.00 10.44 H new ATOM 1014 N ASP A 60 -8.749 -6.468 -2.411 1.00 40.33 N ATOM 1015 CA ASP A 60 -10.031 -5.755 -2.420 1.00 14.50 C ATOM 1016 C ASP A 60 -9.795 -4.242 -2.380 1.00 12.14 C ATOM 1017 O ASP A 60 -9.553 -3.677 -1.312 1.00 33.14 O ATOM 1018 CB ASP A 60 -10.942 -6.199 -1.245 1.00 64.12 C ATOM 1019 CG ASP A 60 -11.555 -7.590 -1.451 1.00 74.14 C ATOM 1020 OD1 ASP A 60 -12.423 -7.729 -2.338 1.00 2.13 O ATOM 1021 OD2 ASP A 60 -11.176 -8.543 -0.744 1.00 33.55 O ATOM 0 H ASP A 60 -8.556 -6.961 -1.539 1.00 40.33 H new ATOM 0 HA ASP A 60 -10.548 -6.008 -3.346 1.00 14.50 H new ATOM 0 HB2 ASP A 60 -10.362 -6.197 -0.322 1.00 64.12 H new ATOM 0 HB3 ASP A 60 -11.743 -5.471 -1.119 1.00 64.12 H new ATOM 1026 N LYS A 61 -9.859 -3.624 -3.571 1.00 63.33 N ATOM 1027 CA LYS A 61 -9.665 -2.174 -3.790 1.00 72.35 C ATOM 1028 C LYS A 61 -10.486 -1.293 -2.819 1.00 13.31 C ATOM 1029 O LYS A 61 -10.053 -0.191 -2.462 1.00 3.04 O ATOM 1030 CB LYS A 61 -10.042 -1.828 -5.250 1.00 23.24 C ATOM 1031 CG LYS A 61 -11.469 -2.292 -5.653 1.00 33.01 C ATOM 1032 CD LYS A 61 -11.900 -1.814 -7.051 1.00 14.45 C ATOM 1033 CE LYS A 61 -12.032 -0.284 -7.133 1.00 53.51 C ATOM 1034 NZ LYS A 61 -12.576 0.146 -8.438 1.00 22.32 N ATOM 0 H LYS A 61 -10.052 -4.130 -4.435 1.00 63.33 H new ATOM 0 HA LYS A 61 -8.615 -1.957 -3.595 1.00 72.35 H new ATOM 0 HB2 LYS A 61 -9.967 -0.750 -5.389 1.00 23.24 H new ATOM 0 HB3 LYS A 61 -9.317 -2.287 -5.922 1.00 23.24 H new ATOM 0 HG2 LYS A 61 -11.510 -3.381 -5.622 1.00 33.01 H new ATOM 0 HG3 LYS A 61 -12.183 -1.924 -4.916 1.00 33.01 H new ATOM 0 HD2 LYS A 61 -11.172 -2.153 -7.788 1.00 14.45 H new ATOM 0 HD3 LYS A 61 -12.854 -2.273 -7.311 1.00 14.45 H new ATOM 0 HE2 LYS A 61 -12.683 0.069 -6.333 1.00 53.51 H new ATOM 0 HE3 LYS A 61 -11.056 0.175 -6.976 1.00 53.51 H new ATOM 0 HZ1 LYS A 61 -13.169 0.990 -8.306 1.00 22.32 H new ATOM 0 HZ2 LYS A 61 -11.792 0.371 -9.084 1.00 22.32 H new ATOM 0 HZ3 LYS A 61 -13.150 -0.620 -8.844 1.00 22.32 H new ATOM 1048 N GLN A 62 -11.659 -1.813 -2.384 1.00 22.13 N ATOM 1049 CA GLN A 62 -12.544 -1.131 -1.433 1.00 22.51 C ATOM 1050 C GLN A 62 -11.784 -0.876 -0.123 1.00 42.13 C ATOM 1051 O GLN A 62 -11.732 0.248 0.343 1.00 30.23 O ATOM 1052 CB GLN A 62 -13.824 -1.974 -1.167 1.00 62.35 C ATOM 1053 CG GLN A 62 -14.756 -2.121 -2.388 1.00 4.04 C ATOM 1054 CD GLN A 62 -15.943 -3.056 -2.125 1.00 40.35 C ATOM 1055 OE1 GLN A 62 -15.867 -4.258 -2.365 1.00 62.24 O ATOM 1056 NE2 GLN A 62 -17.041 -2.520 -1.612 1.00 3.25 N ATOM 0 H GLN A 62 -12.011 -2.720 -2.689 1.00 22.13 H new ATOM 0 HA GLN A 62 -12.856 -0.178 -1.859 1.00 22.51 H new ATOM 0 HB2 GLN A 62 -13.527 -2.967 -0.831 1.00 62.35 H new ATOM 0 HB3 GLN A 62 -14.383 -1.515 -0.352 1.00 62.35 H new ATOM 0 HG2 GLN A 62 -15.131 -1.138 -2.673 1.00 4.04 H new ATOM 0 HG3 GLN A 62 -14.182 -2.500 -3.233 1.00 4.04 H new ATOM 0 HE21 GLN A 62 -17.079 -1.519 -1.422 1.00 3.25 H new ATOM 0 HE22 GLN A 62 -17.848 -3.109 -1.407 1.00 3.25 H new ATOM 1065 N LEU A 63 -11.126 -1.934 0.394 1.00 35.31 N ATOM 1066 CA LEU A 63 -10.428 -1.909 1.694 1.00 40.15 C ATOM 1067 C LEU A 63 -9.296 -0.869 1.722 1.00 53.31 C ATOM 1068 O LEU A 63 -9.141 -0.152 2.711 1.00 2.12 O ATOM 1069 CB LEU A 63 -9.863 -3.315 2.049 1.00 53.22 C ATOM 1070 CG LEU A 63 -10.899 -4.483 2.088 1.00 5.45 C ATOM 1071 CD1 LEU A 63 -10.243 -5.803 2.538 1.00 40.24 C ATOM 1072 CD2 LEU A 63 -12.121 -4.134 2.962 1.00 3.22 C ATOM 0 H LEU A 63 -11.064 -2.834 -0.082 1.00 35.31 H new ATOM 0 HA LEU A 63 -11.167 -1.621 2.442 1.00 40.15 H new ATOM 0 HB2 LEU A 63 -9.089 -3.567 1.324 1.00 53.22 H new ATOM 0 HB3 LEU A 63 -9.378 -3.254 3.023 1.00 53.22 H new ATOM 0 HG LEU A 63 -11.261 -4.627 1.070 1.00 5.45 H new ATOM 0 HD11 LEU A 63 -10.992 -6.595 2.554 1.00 40.24 H new ATOM 0 HD12 LEU A 63 -9.448 -6.070 1.842 1.00 40.24 H new ATOM 0 HD13 LEU A 63 -9.824 -5.679 3.537 1.00 40.24 H new ATOM 0 HD21 LEU A 63 -12.818 -4.972 2.964 1.00 3.22 H new ATOM 0 HD22 LEU A 63 -11.793 -3.933 3.982 1.00 3.22 H new ATOM 0 HD23 LEU A 63 -12.616 -3.250 2.559 1.00 3.22 H new ATOM 1084 N LEU A 64 -8.529 -0.789 0.618 1.00 33.35 N ATOM 1085 CA LEU A 64 -7.364 0.112 0.532 1.00 55.52 C ATOM 1086 C LEU A 64 -7.805 1.578 0.507 1.00 72.04 C ATOM 1087 O LEU A 64 -7.163 2.425 1.136 1.00 15.22 O ATOM 1088 CB LEU A 64 -6.470 -0.201 -0.698 1.00 42.04 C ATOM 1089 CG LEU A 64 -5.707 -1.571 -0.663 1.00 0.42 C ATOM 1090 CD1 LEU A 64 -6.612 -2.749 -1.059 1.00 30.03 C ATOM 1091 CD2 LEU A 64 -4.450 -1.534 -1.537 1.00 24.33 C ATOM 0 H LEU A 64 -8.695 -1.337 -0.226 1.00 33.35 H new ATOM 0 HA LEU A 64 -6.766 -0.061 1.427 1.00 55.52 H new ATOM 0 HB2 LEU A 64 -7.094 -0.178 -1.591 1.00 42.04 H new ATOM 0 HB3 LEU A 64 -5.736 0.598 -0.802 1.00 42.04 H new ATOM 0 HG LEU A 64 -5.398 -1.731 0.370 1.00 0.42 H new ATOM 0 HD11 LEU A 64 -6.040 -3.676 -1.020 1.00 30.03 H new ATOM 0 HD12 LEU A 64 -7.452 -2.811 -0.367 1.00 30.03 H new ATOM 0 HD13 LEU A 64 -6.987 -2.596 -2.071 1.00 30.03 H new ATOM 0 HD21 LEU A 64 -3.945 -2.499 -1.490 1.00 24.33 H new ATOM 0 HD22 LEU A 64 -4.730 -1.321 -2.569 1.00 24.33 H new ATOM 0 HD23 LEU A 64 -3.778 -0.755 -1.176 1.00 24.33 H new ATOM 1103 N LYS A 65 -8.905 1.871 -0.216 1.00 2.31 N ATOM 1104 CA LYS A 65 -9.420 3.238 -0.316 1.00 52.43 C ATOM 1105 C LYS A 65 -10.034 3.655 1.021 1.00 73.51 C ATOM 1106 O LYS A 65 -9.737 4.732 1.526 1.00 44.05 O ATOM 1107 CB LYS A 65 -10.453 3.380 -1.458 1.00 3.11 C ATOM 1108 CG LYS A 65 -10.805 4.849 -1.770 1.00 62.34 C ATOM 1109 CD LYS A 65 -11.764 5.020 -2.961 1.00 53.52 C ATOM 1110 CE LYS A 65 -11.950 6.505 -3.336 1.00 15.53 C ATOM 1111 NZ LYS A 65 -12.448 7.327 -2.193 1.00 53.52 N ATOM 0 H LYS A 65 -9.446 1.179 -0.734 1.00 2.31 H new ATOM 0 HA LYS A 65 -8.586 3.899 -0.553 1.00 52.43 H new ATOM 0 HB2 LYS A 65 -10.060 2.907 -2.358 1.00 3.11 H new ATOM 0 HB3 LYS A 65 -11.362 2.843 -1.187 1.00 3.11 H new ATOM 0 HG2 LYS A 65 -11.255 5.300 -0.886 1.00 62.34 H new ATOM 0 HG3 LYS A 65 -9.885 5.397 -1.975 1.00 62.34 H new ATOM 0 HD2 LYS A 65 -11.377 4.473 -3.821 1.00 53.52 H new ATOM 0 HD3 LYS A 65 -12.732 4.583 -2.715 1.00 53.52 H new ATOM 0 HE2 LYS A 65 -11.000 6.910 -3.683 1.00 15.53 H new ATOM 0 HE3 LYS A 65 -12.652 6.581 -4.167 1.00 15.53 H new ATOM 0 HZ1 LYS A 65 -12.636 8.297 -2.519 1.00 53.52 H new ATOM 0 HZ2 LYS A 65 -13.325 6.910 -1.822 1.00 53.52 H new ATOM 0 HZ3 LYS A 65 -11.729 7.348 -1.441 1.00 53.52 H new ATOM 1125 N GLU A 66 -10.844 2.750 1.602 1.00 4.40 N ATOM 1126 CA GLU A 66 -11.512 2.956 2.897 1.00 11.53 C ATOM 1127 C GLU A 66 -10.496 3.156 4.030 1.00 74.14 C ATOM 1128 O GLU A 66 -10.791 3.850 5.009 1.00 62.34 O ATOM 1129 CB GLU A 66 -12.460 1.773 3.220 1.00 13.35 C ATOM 1130 CG GLU A 66 -13.680 1.661 2.282 1.00 44.24 C ATOM 1131 CD GLU A 66 -14.600 2.891 2.338 1.00 50.21 C ATOM 1132 OE1 GLU A 66 -15.431 2.985 3.269 1.00 54.32 O ATOM 1133 OE2 GLU A 66 -14.489 3.781 1.462 1.00 72.41 O ATOM 0 H GLU A 66 -11.054 1.846 1.179 1.00 4.40 H new ATOM 0 HA GLU A 66 -12.106 3.867 2.819 1.00 11.53 H new ATOM 0 HB2 GLU A 66 -11.892 0.844 3.170 1.00 13.35 H new ATOM 0 HB3 GLU A 66 -12.814 1.876 4.246 1.00 13.35 H new ATOM 0 HG2 GLU A 66 -13.332 1.522 1.258 1.00 44.24 H new ATOM 0 HG3 GLU A 66 -14.254 0.773 2.547 1.00 44.24 H new ATOM 1140 N MET A 67 -9.308 2.542 3.882 1.00 70.35 N ATOM 1141 CA MET A 67 -8.197 2.745 4.809 1.00 22.32 C ATOM 1142 C MET A 67 -7.733 4.212 4.720 1.00 75.41 C ATOM 1143 O MET A 67 -7.641 4.896 5.733 1.00 3.14 O ATOM 1144 CB MET A 67 -7.024 1.777 4.490 1.00 23.45 C ATOM 1145 CG MET A 67 -5.948 1.723 5.585 1.00 35.51 C ATOM 1146 SD MET A 67 -4.493 0.753 5.137 1.00 63.32 S ATOM 1147 CE MET A 67 -5.159 -0.908 5.041 1.00 74.32 C ATOM 0 H MET A 67 -9.099 1.897 3.120 1.00 70.35 H new ATOM 0 HA MET A 67 -8.531 2.530 5.824 1.00 22.32 H new ATOM 0 HB2 MET A 67 -7.424 0.775 4.337 1.00 23.45 H new ATOM 0 HB3 MET A 67 -6.559 2.081 3.552 1.00 23.45 H new ATOM 0 HG2 MET A 67 -5.635 2.740 5.823 1.00 35.51 H new ATOM 0 HG3 MET A 67 -6.387 1.304 6.491 1.00 35.51 H new ATOM 0 HE1 MET A 67 -4.383 -1.627 5.304 1.00 74.32 H new ATOM 0 HE2 MET A 67 -5.994 -1.006 5.735 1.00 74.32 H new ATOM 0 HE3 MET A 67 -5.506 -1.103 4.026 1.00 74.32 H new ATOM 1157 N LEU A 68 -7.527 4.686 3.472 1.00 54.35 N ATOM 1158 CA LEU A 68 -7.013 6.043 3.173 1.00 3.11 C ATOM 1159 C LEU A 68 -8.027 7.154 3.510 1.00 11.15 C ATOM 1160 O LEU A 68 -7.625 8.305 3.727 1.00 32.41 O ATOM 1161 CB LEU A 68 -6.592 6.123 1.683 1.00 25.42 C ATOM 1162 CG LEU A 68 -5.393 5.207 1.285 1.00 55.42 C ATOM 1163 CD1 LEU A 68 -5.190 5.165 -0.236 1.00 1.22 C ATOM 1164 CD2 LEU A 68 -4.098 5.644 1.997 1.00 42.44 C ATOM 0 H LEU A 68 -7.714 4.133 2.635 1.00 54.35 H new ATOM 0 HA LEU A 68 -6.146 6.213 3.812 1.00 3.11 H new ATOM 0 HB2 LEU A 68 -7.450 5.861 1.064 1.00 25.42 H new ATOM 0 HB3 LEU A 68 -6.334 7.156 1.449 1.00 25.42 H new ATOM 0 HG LEU A 68 -5.638 4.197 1.613 1.00 55.42 H new ATOM 0 HD11 LEU A 68 -4.346 4.517 -0.473 1.00 1.22 H new ATOM 0 HD12 LEU A 68 -6.090 4.777 -0.713 1.00 1.22 H new ATOM 0 HD13 LEU A 68 -4.989 6.171 -0.604 1.00 1.22 H new ATOM 0 HD21 LEU A 68 -3.280 4.987 1.700 1.00 42.44 H new ATOM 0 HD22 LEU A 68 -3.859 6.670 1.719 1.00 42.44 H new ATOM 0 HD23 LEU A 68 -4.238 5.584 3.076 1.00 42.44 H new ATOM 1176 N GLU A 69 -9.332 6.809 3.541 1.00 14.42 N ATOM 1177 CA GLU A 69 -10.396 7.736 3.984 1.00 14.23 C ATOM 1178 C GLU A 69 -10.182 8.081 5.475 1.00 4.13 C ATOM 1179 O GLU A 69 -10.324 9.235 5.893 1.00 71.52 O ATOM 1180 CB GLU A 69 -11.811 7.109 3.801 1.00 60.32 C ATOM 1181 CG GLU A 69 -12.132 6.578 2.385 1.00 64.40 C ATOM 1182 CD GLU A 69 -12.173 7.653 1.284 1.00 21.33 C ATOM 1183 OE1 GLU A 69 -13.210 8.338 1.168 1.00 73.00 O ATOM 1184 OE2 GLU A 69 -11.188 7.800 0.518 1.00 74.42 O ATOM 0 H GLU A 69 -9.676 5.890 3.263 1.00 14.42 H new ATOM 0 HA GLU A 69 -10.340 8.636 3.372 1.00 14.23 H new ATOM 0 HB2 GLU A 69 -11.919 6.288 4.510 1.00 60.32 H new ATOM 0 HB3 GLU A 69 -12.557 7.858 4.066 1.00 60.32 H new ATOM 0 HG2 GLU A 69 -11.386 5.831 2.115 1.00 64.40 H new ATOM 0 HG3 GLU A 69 -13.096 6.070 2.413 1.00 64.40 H new ATOM 1191 N LEU A 70 -9.813 7.046 6.255 1.00 34.03 N ATOM 1192 CA LEU A 70 -9.608 7.155 7.709 1.00 44.42 C ATOM 1193 C LEU A 70 -8.198 7.696 8.026 1.00 33.31 C ATOM 1194 O LEU A 70 -8.020 8.426 9.009 1.00 40.22 O ATOM 1195 CB LEU A 70 -9.840 5.770 8.379 1.00 33.23 C ATOM 1196 CG LEU A 70 -11.215 5.085 8.070 1.00 40.02 C ATOM 1197 CD1 LEU A 70 -11.381 3.756 8.831 1.00 44.33 C ATOM 1198 CD2 LEU A 70 -12.400 6.033 8.342 1.00 10.33 C ATOM 0 H LEU A 70 -9.649 6.108 5.890 1.00 34.03 H new ATOM 0 HA LEU A 70 -10.330 7.863 8.115 1.00 44.42 H new ATOM 0 HB2 LEU A 70 -9.042 5.097 8.065 1.00 33.23 H new ATOM 0 HB3 LEU A 70 -9.750 5.890 9.459 1.00 33.23 H new ATOM 0 HG LEU A 70 -11.216 4.853 7.005 1.00 40.02 H new ATOM 0 HD11 LEU A 70 -12.348 3.316 8.587 1.00 44.33 H new ATOM 0 HD12 LEU A 70 -10.586 3.069 8.541 1.00 44.33 H new ATOM 0 HD13 LEU A 70 -11.327 3.942 9.904 1.00 44.33 H new ATOM 0 HD21 LEU A 70 -13.335 5.521 8.116 1.00 10.33 H new ATOM 0 HD22 LEU A 70 -12.394 6.331 9.390 1.00 10.33 H new ATOM 0 HD23 LEU A 70 -12.310 6.918 7.713 1.00 10.33 H new ATOM 1210 N ILE A 71 -7.210 7.353 7.167 1.00 75.33 N ATOM 1211 CA ILE A 71 -5.810 7.823 7.296 1.00 33.45 C ATOM 1212 C ILE A 71 -5.719 9.332 7.016 1.00 43.01 C ATOM 1213 O ILE A 71 -4.892 10.023 7.613 1.00 33.11 O ATOM 1214 CB ILE A 71 -4.831 7.028 6.340 1.00 74.50 C ATOM 1215 CG1 ILE A 71 -4.732 5.535 6.774 1.00 41.23 C ATOM 1216 CG2 ILE A 71 -3.419 7.671 6.279 1.00 12.55 C ATOM 1217 CD1 ILE A 71 -3.862 4.663 5.883 1.00 31.23 C ATOM 0 H ILE A 71 -7.361 6.742 6.364 1.00 75.33 H new ATOM 0 HA ILE A 71 -5.497 7.632 8.322 1.00 33.45 H new ATOM 0 HB ILE A 71 -5.253 7.078 5.336 1.00 74.50 H new ATOM 0 HG12 ILE A 71 -4.341 5.493 7.791 1.00 41.23 H new ATOM 0 HG13 ILE A 71 -5.737 5.113 6.801 1.00 41.23 H new ATOM 0 HG21 ILE A 71 -2.783 7.090 5.611 1.00 12.55 H new ATOM 0 HG22 ILE A 71 -3.500 8.692 5.906 1.00 12.55 H new ATOM 0 HG23 ILE A 71 -2.981 7.683 7.277 1.00 12.55 H new ATOM 0 HD11 ILE A 71 -3.856 3.643 6.267 1.00 31.23 H new ATOM 0 HD12 ILE A 71 -4.261 4.667 4.869 1.00 31.23 H new ATOM 0 HD13 ILE A 71 -2.844 5.053 5.874 1.00 31.23 H new ATOM 1229 N SER A 72 -6.580 9.832 6.109 1.00 50.42 N ATOM 1230 CA SER A 72 -6.656 11.269 5.783 1.00 34.32 C ATOM 1231 C SER A 72 -7.083 12.095 7.013 1.00 74.14 C ATOM 1232 O SER A 72 -6.767 13.284 7.113 1.00 3.34 O ATOM 1233 CB SER A 72 -7.613 11.495 4.592 1.00 41.31 C ATOM 1234 OG SER A 72 -7.635 12.855 4.186 1.00 31.52 O ATOM 0 H SER A 72 -7.238 9.256 5.585 1.00 50.42 H new ATOM 0 HA SER A 72 -5.663 11.612 5.492 1.00 34.32 H new ATOM 0 HB2 SER A 72 -7.305 10.870 3.754 1.00 41.31 H new ATOM 0 HB3 SER A 72 -8.619 11.182 4.870 1.00 41.31 H new ATOM 0 HG SER A 72 -8.249 12.961 3.430 1.00 31.52 H new ATOM 1240 N LYS A 73 -7.781 11.433 7.955 1.00 74.30 N ATOM 1241 CA LYS A 73 -8.158 12.027 9.243 1.00 62.52 C ATOM 1242 C LYS A 73 -6.959 11.968 10.217 1.00 71.42 C ATOM 1243 O LYS A 73 -6.700 12.928 10.944 1.00 13.11 O ATOM 1244 CB LYS A 73 -9.387 11.274 9.832 1.00 62.30 C ATOM 1245 CG LYS A 73 -10.592 11.160 8.866 1.00 23.14 C ATOM 1246 CD LYS A 73 -11.226 12.526 8.482 1.00 63.51 C ATOM 1247 CE LYS A 73 -12.239 13.063 9.518 1.00 2.24 C ATOM 1248 NZ LYS A 73 -11.644 13.361 10.851 1.00 52.21 N ATOM 0 H LYS A 73 -8.098 10.470 7.840 1.00 74.30 H new ATOM 0 HA LYS A 73 -8.432 13.072 9.096 1.00 62.52 H new ATOM 0 HB2 LYS A 73 -9.077 10.271 10.126 1.00 62.30 H new ATOM 0 HB3 LYS A 73 -9.711 11.786 10.738 1.00 62.30 H new ATOM 0 HG2 LYS A 73 -10.269 10.653 7.957 1.00 23.14 H new ATOM 0 HG3 LYS A 73 -11.356 10.533 9.327 1.00 23.14 H new ATOM 0 HD2 LYS A 73 -10.431 13.260 8.352 1.00 63.51 H new ATOM 0 HD3 LYS A 73 -11.726 12.425 7.519 1.00 63.51 H new ATOM 0 HE2 LYS A 73 -12.698 13.971 9.125 1.00 2.24 H new ATOM 0 HE3 LYS A 73 -13.037 12.331 9.643 1.00 2.24 H new ATOM 0 HZ1 LYS A 73 -12.221 14.077 11.337 1.00 52.21 H new ATOM 0 HZ2 LYS A 73 -11.618 12.492 11.422 1.00 52.21 H new ATOM 0 HZ3 LYS A 73 -10.677 13.723 10.726 1.00 52.21 H new ATOM 1262 N LEU A 74 -6.220 10.830 10.185 1.00 10.44 N ATOM 1263 CA LEU A 74 -5.077 10.561 11.095 1.00 41.25 C ATOM 1264 C LEU A 74 -3.846 11.432 10.760 1.00 61.40 C ATOM 1265 O LEU A 74 -3.054 11.772 11.651 1.00 35.23 O ATOM 1266 CB LEU A 74 -4.704 9.052 11.041 1.00 21.32 C ATOM 1267 CG LEU A 74 -5.850 8.060 11.414 1.00 71.44 C ATOM 1268 CD1 LEU A 74 -5.385 6.590 11.326 1.00 14.22 C ATOM 1269 CD2 LEU A 74 -6.439 8.388 12.798 1.00 53.22 C ATOM 0 H LEU A 74 -6.400 10.072 9.527 1.00 10.44 H new ATOM 0 HA LEU A 74 -5.390 10.824 12.105 1.00 41.25 H new ATOM 0 HB2 LEU A 74 -4.358 8.817 10.034 1.00 21.32 H new ATOM 0 HB3 LEU A 74 -3.865 8.879 11.715 1.00 21.32 H new ATOM 0 HG LEU A 74 -6.645 8.186 10.679 1.00 71.44 H new ATOM 0 HD11 LEU A 74 -6.211 5.931 11.593 1.00 14.22 H new ATOM 0 HD12 LEU A 74 -5.060 6.371 10.309 1.00 14.22 H new ATOM 0 HD13 LEU A 74 -4.555 6.429 12.014 1.00 14.22 H new ATOM 0 HD21 LEU A 74 -7.235 7.681 13.031 1.00 53.22 H new ATOM 0 HD22 LEU A 74 -5.656 8.315 13.553 1.00 53.22 H new ATOM 0 HD23 LEU A 74 -6.843 9.400 12.791 1.00 53.22 H new ATOM 1281 N GLY A 75 -3.700 11.767 9.469 1.00 54.34 N ATOM 1282 CA GLY A 75 -2.633 12.630 8.987 1.00 12.20 C ATOM 1283 C GLY A 75 -1.266 11.951 8.966 1.00 50.41 C ATOM 1284 O GLY A 75 -0.430 12.220 9.838 1.00 62.20 O ATOM 0 H GLY A 75 -4.327 11.440 8.733 1.00 54.34 H new ATOM 0 HA2 GLY A 75 -2.877 12.969 7.980 1.00 12.20 H new ATOM 0 HA3 GLY A 75 -2.580 13.517 9.618 1.00 12.20 H new ATOM 1288 N TYR A 76 -1.053 11.040 7.994 1.00 1.35 N ATOM 1289 CA TYR A 76 0.288 10.494 7.679 1.00 33.24 C ATOM 1290 C TYR A 76 0.355 10.023 6.220 1.00 30.03 C ATOM 1291 O TYR A 76 -0.675 9.721 5.602 1.00 30.44 O ATOM 1292 CB TYR A 76 0.741 9.381 8.668 1.00 40.22 C ATOM 1293 CG TYR A 76 -0.137 8.119 8.775 1.00 60.23 C ATOM 1294 CD1 TYR A 76 0.054 7.029 7.920 1.00 61.24 C ATOM 1295 CD2 TYR A 76 -1.115 8.000 9.767 1.00 15.31 C ATOM 1296 CE1 TYR A 76 -0.699 5.880 8.050 1.00 0.44 C ATOM 1297 CE2 TYR A 76 -1.861 6.843 9.903 1.00 1.14 C ATOM 1298 CZ TYR A 76 -1.652 5.790 9.043 1.00 30.31 C ATOM 1299 OH TYR A 76 -2.391 4.636 9.182 1.00 65.30 O ATOM 0 H TYR A 76 -1.798 10.663 7.408 1.00 1.35 H new ATOM 0 HA TYR A 76 1.000 11.310 7.807 1.00 33.24 H new ATOM 0 HB2 TYR A 76 1.746 9.068 8.384 1.00 40.22 H new ATOM 0 HB3 TYR A 76 0.814 9.824 9.661 1.00 40.22 H new ATOM 0 HD1 TYR A 76 0.804 7.087 7.145 1.00 61.24 H new ATOM 0 HD2 TYR A 76 -1.291 8.827 10.439 1.00 15.31 H new ATOM 0 HE1 TYR A 76 -0.542 5.052 7.375 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -2.605 6.767 10.682 1.00 1.14 H new ATOM 0 HH TYR A 76 -1.967 3.913 8.675 1.00 65.30 H new ATOM 1309 N LYS A 77 1.589 9.967 5.687 1.00 60.33 N ATOM 1310 CA LYS A 77 1.845 9.695 4.270 1.00 31.12 C ATOM 1311 C LYS A 77 1.862 8.178 4.038 1.00 53.24 C ATOM 1312 O LYS A 77 2.546 7.437 4.757 1.00 73.33 O ATOM 1313 CB LYS A 77 3.201 10.343 3.832 1.00 45.13 C ATOM 1314 CG LYS A 77 3.243 10.911 2.387 1.00 41.33 C ATOM 1315 CD LYS A 77 3.057 9.847 1.277 1.00 52.24 C ATOM 1316 CE LYS A 77 3.255 10.426 -0.137 1.00 73.43 C ATOM 1317 NZ LYS A 77 2.349 11.578 -0.412 1.00 42.34 N ATOM 0 H LYS A 77 2.438 10.111 6.234 1.00 60.33 H new ATOM 0 HA LYS A 77 1.052 10.134 3.665 1.00 31.12 H new ATOM 0 HB2 LYS A 77 3.438 11.149 4.526 1.00 45.13 H new ATOM 0 HB3 LYS A 77 3.988 9.596 3.931 1.00 45.13 H new ATOM 0 HG2 LYS A 77 2.464 11.667 2.284 1.00 41.33 H new ATOM 0 HG3 LYS A 77 4.198 11.414 2.235 1.00 41.33 H new ATOM 0 HD2 LYS A 77 3.766 9.034 1.435 1.00 52.24 H new ATOM 0 HD3 LYS A 77 2.058 9.418 1.354 1.00 52.24 H new ATOM 0 HE2 LYS A 77 4.290 10.746 -0.254 1.00 73.43 H new ATOM 0 HE3 LYS A 77 3.078 9.644 -0.875 1.00 73.43 H new ATOM 0 HZ1 LYS A 77 2.422 11.845 -1.414 1.00 42.34 H new ATOM 0 HZ2 LYS A 77 1.368 11.307 -0.196 1.00 42.34 H new ATOM 0 HZ3 LYS A 77 2.624 12.386 0.183 1.00 42.34 H new ATOM 1331 N VAL A 78 1.106 7.745 3.022 1.00 70.21 N ATOM 1332 CA VAL A 78 1.000 6.338 2.613 1.00 24.12 C ATOM 1333 C VAL A 78 1.291 6.218 1.105 1.00 64.13 C ATOM 1334 O VAL A 78 0.930 7.106 0.314 1.00 70.14 O ATOM 1335 CB VAL A 78 -0.432 5.766 2.941 1.00 42.32 C ATOM 1336 CG1 VAL A 78 -0.606 4.297 2.486 1.00 12.34 C ATOM 1337 CG2 VAL A 78 -0.734 5.897 4.444 1.00 34.33 C ATOM 0 H VAL A 78 0.541 8.373 2.451 1.00 70.21 H new ATOM 0 HA VAL A 78 1.732 5.753 3.170 1.00 24.12 H new ATOM 0 HB VAL A 78 -1.147 6.363 2.375 1.00 42.32 H new ATOM 0 HG11 VAL A 78 -1.610 3.955 2.737 1.00 12.34 H new ATOM 0 HG12 VAL A 78 -0.459 4.230 1.408 1.00 12.34 H new ATOM 0 HG13 VAL A 78 0.128 3.670 2.992 1.00 12.34 H new ATOM 0 HG21 VAL A 78 -1.726 5.497 4.652 1.00 34.33 H new ATOM 0 HG22 VAL A 78 0.009 5.339 5.014 1.00 34.33 H new ATOM 0 HG23 VAL A 78 -0.698 6.948 4.732 1.00 34.33 H new ATOM 1347 N PHE A 79 1.974 5.131 0.739 1.00 71.41 N ATOM 1348 CA PHE A 79 2.244 4.746 -0.648 1.00 70.32 C ATOM 1349 C PHE A 79 1.214 3.695 -1.092 1.00 71.42 C ATOM 1350 O PHE A 79 0.577 3.055 -0.256 1.00 51.43 O ATOM 1351 CB PHE A 79 3.672 4.167 -0.758 1.00 63.42 C ATOM 1352 CG PHE A 79 4.783 5.125 -0.328 1.00 33.12 C ATOM 1353 CD1 PHE A 79 5.130 6.212 -1.132 1.00 4.10 C ATOM 1354 CD2 PHE A 79 5.493 4.930 0.858 1.00 54.33 C ATOM 1355 CE1 PHE A 79 6.145 7.066 -0.765 1.00 13.42 C ATOM 1356 CE2 PHE A 79 6.504 5.788 1.224 1.00 54.02 C ATOM 1357 CZ PHE A 79 6.833 6.856 0.408 1.00 23.44 C ATOM 0 H PHE A 79 2.365 4.477 1.417 1.00 71.41 H new ATOM 0 HA PHE A 79 2.167 5.621 -1.293 1.00 70.32 H new ATOM 0 HB2 PHE A 79 3.732 3.265 -0.149 1.00 63.42 H new ATOM 0 HB3 PHE A 79 3.849 3.866 -1.791 1.00 63.42 H new ATOM 0 HD1 PHE A 79 4.595 6.385 -2.054 1.00 4.10 H new ATOM 0 HD2 PHE A 79 5.245 4.095 1.496 1.00 54.33 H new ATOM 0 HE1 PHE A 79 6.402 7.902 -1.399 1.00 13.42 H new ATOM 0 HE2 PHE A 79 7.041 5.628 2.148 1.00 54.02 H new ATOM 0 HZ PHE A 79 7.631 7.526 0.692 1.00 23.44 H new ATOM 1367 N LEU A 80 1.055 3.527 -2.404 1.00 11.13 N ATOM 1368 CA LEU A 80 0.157 2.518 -2.991 1.00 32.13 C ATOM 1369 C LEU A 80 0.751 2.014 -4.309 1.00 51.32 C ATOM 1370 O LEU A 80 1.347 2.780 -5.070 1.00 3.32 O ATOM 1371 CB LEU A 80 -1.270 3.116 -3.191 1.00 30.41 C ATOM 1372 CG LEU A 80 -2.315 2.252 -3.994 1.00 34.43 C ATOM 1373 CD1 LEU A 80 -2.526 0.862 -3.379 1.00 13.02 C ATOM 1374 CD2 LEU A 80 -3.657 2.997 -4.129 1.00 72.04 C ATOM 0 H LEU A 80 1.547 4.088 -3.099 1.00 11.13 H new ATOM 0 HA LEU A 80 0.062 1.670 -2.313 1.00 32.13 H new ATOM 0 HB2 LEU A 80 -1.690 3.322 -2.206 1.00 30.41 H new ATOM 0 HB3 LEU A 80 -1.165 4.075 -3.699 1.00 30.41 H new ATOM 0 HG LEU A 80 -1.897 2.100 -4.989 1.00 34.43 H new ATOM 0 HD11 LEU A 80 -3.255 0.309 -3.971 1.00 13.02 H new ATOM 0 HD12 LEU A 80 -1.580 0.321 -3.370 1.00 13.02 H new ATOM 0 HD13 LEU A 80 -2.893 0.968 -2.358 1.00 13.02 H new ATOM 0 HD21 LEU A 80 -4.361 2.380 -4.687 1.00 72.04 H new ATOM 0 HD22 LEU A 80 -4.061 3.202 -3.137 1.00 72.04 H new ATOM 0 HD23 LEU A 80 -3.500 3.937 -4.658 1.00 72.04 H new ATOM 1386 N LEU A 81 0.598 0.709 -4.552 1.00 4.20 N ATOM 1387 CA LEU A 81 1.064 0.040 -5.766 1.00 20.22 C ATOM 1388 C LEU A 81 -0.070 -0.834 -6.321 1.00 33.23 C ATOM 1389 O LEU A 81 -0.567 -1.729 -5.630 1.00 30.51 O ATOM 1390 CB LEU A 81 2.319 -0.815 -5.459 1.00 21.34 C ATOM 1391 CG LEU A 81 2.965 -1.553 -6.676 1.00 73.11 C ATOM 1392 CD1 LEU A 81 3.376 -0.555 -7.773 1.00 61.42 C ATOM 1393 CD2 LEU A 81 4.158 -2.424 -6.232 1.00 10.24 C ATOM 0 H LEU A 81 0.138 0.078 -3.897 1.00 4.20 H new ATOM 0 HA LEU A 81 1.341 0.784 -6.513 1.00 20.22 H new ATOM 0 HB2 LEU A 81 3.073 -0.168 -5.011 1.00 21.34 H new ATOM 0 HB3 LEU A 81 2.051 -1.560 -4.709 1.00 21.34 H new ATOM 0 HG LEU A 81 2.213 -2.219 -7.100 1.00 73.11 H new ATOM 0 HD11 LEU A 81 3.823 -1.095 -8.608 1.00 61.42 H new ATOM 0 HD12 LEU A 81 2.496 -0.014 -8.120 1.00 61.42 H new ATOM 0 HD13 LEU A 81 4.101 0.152 -7.369 1.00 61.42 H new ATOM 0 HD21 LEU A 81 4.586 -2.925 -7.100 1.00 10.24 H new ATOM 0 HD22 LEU A 81 4.915 -1.793 -5.766 1.00 10.24 H new ATOM 0 HD23 LEU A 81 3.817 -3.170 -5.515 1.00 10.24 H new ATOM 1405 N LEU A 82 -0.486 -0.540 -7.557 1.00 62.41 N ATOM 1406 CA LEU A 82 -1.546 -1.259 -8.269 1.00 32.34 C ATOM 1407 C LEU A 82 -0.917 -2.039 -9.432 1.00 12.30 C ATOM 1408 O LEU A 82 -0.529 -1.444 -10.441 1.00 2.14 O ATOM 1409 CB LEU A 82 -2.596 -0.246 -8.791 1.00 51.32 C ATOM 1410 CG LEU A 82 -3.326 0.608 -7.709 1.00 21.03 C ATOM 1411 CD1 LEU A 82 -4.239 1.657 -8.357 1.00 74.51 C ATOM 1412 CD2 LEU A 82 -4.119 -0.283 -6.730 1.00 42.21 C ATOM 0 H LEU A 82 -0.085 0.223 -8.103 1.00 62.41 H new ATOM 0 HA LEU A 82 -2.047 -1.959 -7.600 1.00 32.34 H new ATOM 0 HB2 LEU A 82 -2.102 0.432 -9.487 1.00 51.32 H new ATOM 0 HB3 LEU A 82 -3.347 -0.794 -9.360 1.00 51.32 H new ATOM 0 HG LEU A 82 -2.563 1.134 -7.135 1.00 21.03 H new ATOM 0 HD11 LEU A 82 -4.735 2.238 -7.579 1.00 74.51 H new ATOM 0 HD12 LEU A 82 -3.643 2.322 -8.982 1.00 74.51 H new ATOM 0 HD13 LEU A 82 -4.989 1.158 -8.971 1.00 74.51 H new ATOM 0 HD21 LEU A 82 -4.616 0.343 -5.989 1.00 42.21 H new ATOM 0 HD22 LEU A 82 -4.866 -0.854 -7.281 1.00 42.21 H new ATOM 0 HD23 LEU A 82 -3.436 -0.968 -6.227 1.00 42.21 H new ATOM 1424 N ALA A 83 -0.793 -3.363 -9.271 1.00 32.33 N ATOM 1425 CA ALA A 83 -0.133 -4.236 -10.257 1.00 34.15 C ATOM 1426 C ALA A 83 -1.132 -5.235 -10.877 1.00 32.01 C ATOM 1427 O ALA A 83 -1.643 -6.142 -10.195 1.00 23.45 O ATOM 1428 CB ALA A 83 1.047 -4.959 -9.601 1.00 34.22 C ATOM 0 H ALA A 83 -1.147 -3.861 -8.454 1.00 32.33 H new ATOM 0 HA ALA A 83 0.247 -3.619 -11.071 1.00 34.15 H new ATOM 0 HB1 ALA A 83 1.532 -5.603 -10.334 1.00 34.22 H new ATOM 0 HB2 ALA A 83 1.764 -4.225 -9.232 1.00 34.22 H new ATOM 0 HB3 ALA A 83 0.686 -5.564 -8.769 1.00 34.22 H new ATOM 1434 N ASP A 84 -1.406 -5.034 -12.176 1.00 70.24 N ATOM 1435 CA ASP A 84 -2.276 -5.914 -12.974 1.00 14.23 C ATOM 1436 C ASP A 84 -2.139 -5.552 -14.463 1.00 75.45 C ATOM 1437 O ASP A 84 -1.713 -4.435 -14.798 1.00 52.15 O ATOM 1438 CB ASP A 84 -3.767 -5.818 -12.507 1.00 1.22 C ATOM 1439 CG ASP A 84 -4.707 -6.790 -13.245 1.00 45.11 C ATOM 1440 OD1 ASP A 84 -4.458 -8.016 -13.202 1.00 64.23 O ATOM 1441 OD2 ASP A 84 -5.658 -6.337 -13.910 1.00 55.43 O ATOM 0 H ASP A 84 -1.027 -4.250 -12.707 1.00 70.24 H new ATOM 0 HA ASP A 84 -1.961 -6.947 -12.827 1.00 14.23 H new ATOM 0 HB2 ASP A 84 -3.818 -6.019 -11.437 1.00 1.22 H new ATOM 0 HB3 ASP A 84 -4.121 -4.798 -12.657 1.00 1.22 H new ATOM 1446 N GLN A 85 -2.486 -6.516 -15.340 1.00 33.21 N ATOM 1447 CA GLN A 85 -2.482 -6.335 -16.804 1.00 71.55 C ATOM 1448 C GLN A 85 -3.432 -5.182 -17.190 1.00 53.13 C ATOM 1449 O GLN A 85 -3.053 -4.285 -17.948 1.00 44.50 O ATOM 1450 CB GLN A 85 -2.892 -7.687 -17.483 1.00 54.41 C ATOM 1451 CG GLN A 85 -2.587 -7.838 -18.993 1.00 50.44 C ATOM 1452 CD GLN A 85 -3.519 -7.071 -19.942 1.00 2.41 C ATOM 1453 OE1 GLN A 85 -4.682 -6.818 -19.634 1.00 32.44 O ATOM 1454 NE2 GLN A 85 -3.018 -6.715 -21.112 1.00 62.53 N ATOM 0 H GLN A 85 -2.779 -7.449 -15.049 1.00 33.21 H new ATOM 0 HA GLN A 85 -1.486 -6.066 -17.154 1.00 71.55 H new ATOM 0 HB2 GLN A 85 -2.390 -8.497 -16.954 1.00 54.41 H new ATOM 0 HB3 GLN A 85 -3.963 -7.827 -17.338 1.00 54.41 H new ATOM 0 HG2 GLN A 85 -1.564 -7.507 -19.173 1.00 50.44 H new ATOM 0 HG3 GLN A 85 -2.630 -8.897 -19.249 1.00 50.44 H new ATOM 0 HE21 GLN A 85 -2.049 -6.938 -21.341 1.00 62.53 H new ATOM 0 HE22 GLN A 85 -3.600 -6.217 -21.786 1.00 62.53 H new ATOM 1463 N ASP A 86 -4.652 -5.209 -16.625 1.00 14.13 N ATOM 1464 CA ASP A 86 -5.689 -4.199 -16.901 1.00 42.24 C ATOM 1465 C ASP A 86 -5.440 -2.957 -16.029 1.00 2.42 C ATOM 1466 O ASP A 86 -5.704 -2.959 -14.824 1.00 12.30 O ATOM 1467 CB ASP A 86 -7.114 -4.776 -16.649 1.00 52.31 C ATOM 1468 CG ASP A 86 -8.242 -3.787 -17.022 1.00 1.25 C ATOM 1469 OD1 ASP A 86 -8.629 -3.736 -18.206 1.00 53.01 O ATOM 1470 OD2 ASP A 86 -8.729 -3.039 -16.142 1.00 22.22 O ATOM 0 H ASP A 86 -4.946 -5.930 -15.966 1.00 14.13 H new ATOM 0 HA ASP A 86 -5.633 -3.914 -17.952 1.00 42.24 H new ATOM 0 HB2 ASP A 86 -7.236 -5.692 -17.227 1.00 52.31 H new ATOM 0 HB3 ASP A 86 -7.209 -5.047 -15.598 1.00 52.31 H new ATOM 1475 N GLU A 87 -4.903 -1.907 -16.655 1.00 44.41 N ATOM 1476 CA GLU A 87 -4.626 -0.622 -15.991 1.00 25.01 C ATOM 1477 C GLU A 87 -5.843 0.316 -16.026 1.00 1.41 C ATOM 1478 O GLU A 87 -5.844 1.331 -15.330 1.00 21.50 O ATOM 1479 CB GLU A 87 -3.401 0.068 -16.632 1.00 34.42 C ATOM 1480 CG GLU A 87 -3.533 0.410 -18.124 1.00 23.53 C ATOM 1481 CD GLU A 87 -2.322 1.192 -18.659 1.00 60.23 C ATOM 1482 OE1 GLU A 87 -1.254 0.580 -18.876 1.00 12.13 O ATOM 1483 OE2 GLU A 87 -2.415 2.430 -18.828 1.00 42.12 O ATOM 0 H GLU A 87 -4.645 -1.920 -17.642 1.00 44.41 H new ATOM 0 HA GLU A 87 -4.406 -0.839 -14.946 1.00 25.01 H new ATOM 0 HB2 GLU A 87 -3.197 0.988 -16.084 1.00 34.42 H new ATOM 0 HB3 GLU A 87 -2.534 -0.579 -16.502 1.00 34.42 H new ATOM 0 HG2 GLU A 87 -3.648 -0.511 -18.696 1.00 23.53 H new ATOM 0 HG3 GLU A 87 -4.438 0.997 -18.280 1.00 23.53 H new ATOM 1490 N ASN A 88 -6.846 -0.017 -16.865 1.00 63.55 N ATOM 1491 CA ASN A 88 -8.076 0.794 -17.038 1.00 43.33 C ATOM 1492 C ASN A 88 -8.806 0.968 -15.697 1.00 30.25 C ATOM 1493 O ASN A 88 -9.164 2.089 -15.307 1.00 63.44 O ATOM 1494 CB ASN A 88 -9.012 0.123 -18.077 1.00 64.24 C ATOM 1495 CG ASN A 88 -10.318 0.895 -18.321 1.00 22.41 C ATOM 1496 OD1 ASN A 88 -10.389 1.759 -19.189 1.00 5.42 O ATOM 1497 ND2 ASN A 88 -11.358 0.595 -17.548 1.00 4.55 N ATOM 0 H ASN A 88 -6.829 -0.857 -17.444 1.00 63.55 H new ATOM 0 HA ASN A 88 -7.792 1.781 -17.402 1.00 43.33 H new ATOM 0 HB2 ASN A 88 -8.478 0.022 -19.022 1.00 64.24 H new ATOM 0 HB3 ASN A 88 -9.254 -0.884 -17.738 1.00 64.24 H new ATOM 0 HD21 ASN A 88 -12.243 1.088 -17.669 1.00 4.55 H new ATOM 0 HD22 ASN A 88 -11.271 -0.128 -16.834 1.00 4.55 H new ATOM 1504 N GLU A 89 -9.003 -0.166 -15.006 1.00 2.32 N ATOM 1505 CA GLU A 89 -9.673 -0.215 -13.700 1.00 24.42 C ATOM 1506 C GLU A 89 -8.818 0.522 -12.643 1.00 53.32 C ATOM 1507 O GLU A 89 -9.331 1.336 -11.864 1.00 23.33 O ATOM 1508 CB GLU A 89 -9.921 -1.707 -13.289 1.00 11.12 C ATOM 1509 CG GLU A 89 -11.237 -1.980 -12.526 1.00 4.54 C ATOM 1510 CD GLU A 89 -11.424 -1.128 -11.265 1.00 50.32 C ATOM 1511 OE1 GLU A 89 -10.709 -1.359 -10.263 1.00 74.44 O ATOM 1512 OE2 GLU A 89 -12.279 -0.214 -11.270 1.00 43.21 O ATOM 0 H GLU A 89 -8.699 -1.080 -15.342 1.00 2.32 H new ATOM 0 HA GLU A 89 -10.639 0.287 -13.764 1.00 24.42 H new ATOM 0 HB2 GLU A 89 -9.911 -2.320 -14.190 1.00 11.12 H new ATOM 0 HB3 GLU A 89 -9.087 -2.038 -12.669 1.00 11.12 H new ATOM 0 HG2 GLU A 89 -12.076 -1.802 -13.198 1.00 4.54 H new ATOM 0 HG3 GLU A 89 -11.270 -3.033 -12.247 1.00 4.54 H new ATOM 1519 N LEU A 90 -7.505 0.229 -12.667 1.00 73.23 N ATOM 1520 CA LEU A 90 -6.528 0.769 -11.707 1.00 12.45 C ATOM 1521 C LEU A 90 -6.360 2.296 -11.850 1.00 11.25 C ATOM 1522 O LEU A 90 -6.046 2.967 -10.866 1.00 72.53 O ATOM 1523 CB LEU A 90 -5.154 0.068 -11.899 1.00 54.44 C ATOM 1524 CG LEU A 90 -5.141 -1.483 -11.733 1.00 30.41 C ATOM 1525 CD1 LEU A 90 -3.739 -2.061 -12.010 1.00 30.23 C ATOM 1526 CD2 LEU A 90 -5.661 -1.911 -10.340 1.00 23.41 C ATOM 0 H LEU A 90 -7.090 -0.394 -13.359 1.00 73.23 H new ATOM 0 HA LEU A 90 -6.908 0.571 -10.705 1.00 12.45 H new ATOM 0 HB2 LEU A 90 -4.783 0.309 -12.895 1.00 54.44 H new ATOM 0 HB3 LEU A 90 -4.449 0.495 -11.185 1.00 54.44 H new ATOM 0 HG LEU A 90 -5.824 -1.897 -12.475 1.00 30.41 H new ATOM 0 HD11 LEU A 90 -3.761 -3.144 -11.887 1.00 30.23 H new ATOM 0 HD12 LEU A 90 -3.440 -1.818 -13.030 1.00 30.23 H new ATOM 0 HD13 LEU A 90 -3.023 -1.630 -11.310 1.00 30.23 H new ATOM 0 HD21 LEU A 90 -5.637 -2.998 -10.261 1.00 23.41 H new ATOM 0 HD22 LEU A 90 -5.028 -1.477 -9.566 1.00 23.41 H new ATOM 0 HD23 LEU A 90 -6.685 -1.560 -10.210 1.00 23.41 H new ATOM 1538 N GLU A 91 -6.577 2.823 -13.082 1.00 33.13 N ATOM 1539 CA GLU A 91 -6.382 4.253 -13.396 1.00 5.41 C ATOM 1540 C GLU A 91 -7.370 5.114 -12.603 1.00 61.32 C ATOM 1541 O GLU A 91 -6.960 6.025 -11.882 1.00 13.43 O ATOM 1542 CB GLU A 91 -6.562 4.543 -14.908 1.00 13.14 C ATOM 1543 CG GLU A 91 -6.289 6.019 -15.294 1.00 3.43 C ATOM 1544 CD GLU A 91 -6.721 6.380 -16.721 1.00 35.02 C ATOM 1545 OE1 GLU A 91 -5.921 6.184 -17.664 1.00 51.21 O ATOM 1546 OE2 GLU A 91 -7.860 6.871 -16.906 1.00 23.02 O ATOM 0 H GLU A 91 -6.890 2.268 -13.878 1.00 33.13 H new ATOM 0 HA GLU A 91 -5.359 4.504 -13.115 1.00 5.41 H new ATOM 0 HB2 GLU A 91 -5.891 3.898 -15.475 1.00 13.14 H new ATOM 0 HB3 GLU A 91 -7.579 4.282 -15.201 1.00 13.14 H new ATOM 0 HG2 GLU A 91 -6.810 6.670 -14.592 1.00 3.43 H new ATOM 0 HG3 GLU A 91 -5.223 6.221 -15.186 1.00 3.43 H new ATOM 1553 N GLU A 92 -8.669 4.774 -12.740 1.00 14.21 N ATOM 1554 CA GLU A 92 -9.781 5.489 -12.085 1.00 2.21 C ATOM 1555 C GLU A 92 -9.526 5.586 -10.571 1.00 22.03 C ATOM 1556 O GLU A 92 -9.639 6.661 -9.984 1.00 50.55 O ATOM 1557 CB GLU A 92 -11.123 4.754 -12.415 1.00 32.23 C ATOM 1558 CG GLU A 92 -12.436 5.481 -11.992 1.00 53.42 C ATOM 1559 CD GLU A 92 -12.902 5.191 -10.550 1.00 62.51 C ATOM 1560 OE1 GLU A 92 -13.646 4.212 -10.344 1.00 50.35 O ATOM 1561 OE2 GLU A 92 -12.532 5.931 -9.621 1.00 14.34 O ATOM 0 H GLU A 92 -8.976 3.989 -13.314 1.00 14.21 H new ATOM 0 HA GLU A 92 -9.852 6.509 -12.462 1.00 2.21 H new ATOM 0 HB2 GLU A 92 -11.161 4.579 -13.490 1.00 32.23 H new ATOM 0 HB3 GLU A 92 -11.104 3.776 -11.934 1.00 32.23 H new ATOM 0 HG2 GLU A 92 -12.291 6.556 -12.103 1.00 53.42 H new ATOM 0 HG3 GLU A 92 -13.231 5.194 -12.680 1.00 53.42 H new ATOM 1568 N PHE A 93 -9.111 4.449 -9.989 1.00 22.31 N ATOM 1569 CA PHE A 93 -8.815 4.317 -8.557 1.00 32.31 C ATOM 1570 C PHE A 93 -7.669 5.267 -8.143 1.00 53.14 C ATOM 1571 O PHE A 93 -7.846 6.115 -7.260 1.00 65.21 O ATOM 1572 CB PHE A 93 -8.443 2.836 -8.253 1.00 72.45 C ATOM 1573 CG PHE A 93 -8.342 2.487 -6.769 1.00 62.34 C ATOM 1574 CD1 PHE A 93 -9.491 2.358 -5.996 1.00 1.15 C ATOM 1575 CD2 PHE A 93 -7.110 2.274 -6.151 1.00 1.12 C ATOM 1576 CE1 PHE A 93 -9.412 2.033 -4.663 1.00 15.05 C ATOM 1577 CE2 PHE A 93 -7.033 1.950 -4.812 1.00 73.10 C ATOM 1578 CZ PHE A 93 -8.182 1.827 -4.069 1.00 65.21 C ATOM 0 H PHE A 93 -8.970 3.584 -10.510 1.00 22.31 H new ATOM 0 HA PHE A 93 -9.696 4.596 -7.978 1.00 32.31 H new ATOM 0 HB2 PHE A 93 -9.189 2.188 -8.713 1.00 72.45 H new ATOM 0 HB3 PHE A 93 -7.489 2.612 -8.729 1.00 72.45 H new ATOM 0 HD1 PHE A 93 -10.458 2.515 -6.449 1.00 1.15 H new ATOM 0 HD2 PHE A 93 -6.202 2.364 -6.729 1.00 1.12 H new ATOM 0 HE1 PHE A 93 -10.315 1.938 -4.078 1.00 15.05 H new ATOM 0 HE2 PHE A 93 -6.070 1.793 -4.348 1.00 73.10 H new ATOM 0 HZ PHE A 93 -8.124 1.570 -3.022 1.00 65.21 H new ATOM 1588 N LYS A 94 -6.518 5.146 -8.841 1.00 31.13 N ATOM 1589 CA LYS A 94 -5.274 5.835 -8.458 1.00 14.51 C ATOM 1590 C LYS A 94 -5.356 7.362 -8.641 1.00 53.51 C ATOM 1591 O LYS A 94 -4.591 8.086 -8.010 1.00 61.02 O ATOM 1592 CB LYS A 94 -4.046 5.223 -9.210 1.00 74.11 C ATOM 1593 CG LYS A 94 -3.940 5.431 -10.748 1.00 31.22 C ATOM 1594 CD LYS A 94 -3.286 6.770 -11.173 1.00 21.14 C ATOM 1595 CE LYS A 94 -1.846 6.936 -10.644 1.00 23.04 C ATOM 1596 NZ LYS A 94 -1.281 8.262 -10.996 1.00 44.43 N ATOM 0 H LYS A 94 -6.429 4.571 -9.679 1.00 31.13 H new ATOM 0 HA LYS A 94 -5.133 5.670 -7.390 1.00 14.51 H new ATOM 0 HB2 LYS A 94 -3.143 5.631 -8.757 1.00 74.11 H new ATOM 0 HB3 LYS A 94 -4.041 4.150 -9.019 1.00 74.11 H new ATOM 0 HG2 LYS A 94 -3.365 4.609 -11.174 1.00 31.22 H new ATOM 0 HG3 LYS A 94 -4.940 5.377 -11.179 1.00 31.22 H new ATOM 0 HD2 LYS A 94 -3.276 6.833 -12.261 1.00 21.14 H new ATOM 0 HD3 LYS A 94 -3.897 7.597 -10.811 1.00 21.14 H new ATOM 0 HE2 LYS A 94 -1.840 6.814 -9.561 1.00 23.04 H new ATOM 0 HE3 LYS A 94 -1.214 6.150 -11.057 1.00 23.04 H new ATOM 0 HZ1 LYS A 94 -0.557 8.146 -11.734 1.00 44.43 H new ATOM 0 HZ2 LYS A 94 -2.039 8.880 -11.349 1.00 44.43 H new ATOM 0 HZ3 LYS A 94 -0.850 8.691 -10.152 1.00 44.43 H new ATOM 1610 N ARG A 95 -6.261 7.837 -9.522 1.00 1.04 N ATOM 1611 CA ARG A 95 -6.458 9.283 -9.759 1.00 12.12 C ATOM 1612 C ARG A 95 -6.992 9.973 -8.493 1.00 21.24 C ATOM 1613 O ARG A 95 -6.535 11.062 -8.126 1.00 51.32 O ATOM 1614 CB ARG A 95 -7.420 9.522 -10.954 1.00 33.40 C ATOM 1615 CG ARG A 95 -6.832 9.133 -12.327 1.00 63.10 C ATOM 1616 CD ARG A 95 -7.827 9.354 -13.479 1.00 21.24 C ATOM 1617 NE ARG A 95 -8.237 10.769 -13.596 1.00 75.30 N ATOM 1618 CZ ARG A 95 -9.128 11.244 -14.478 1.00 24.24 C ATOM 1619 NH1 ARG A 95 -9.743 10.436 -15.349 1.00 11.34 N ATOM 1620 NH2 ARG A 95 -9.408 12.539 -14.485 1.00 3.21 N ATOM 0 H ARG A 95 -6.868 7.239 -10.082 1.00 1.04 H new ATOM 0 HA ARG A 95 -5.490 9.719 -10.007 1.00 12.12 H new ATOM 0 HB2 ARG A 95 -8.335 8.953 -10.789 1.00 33.40 H new ATOM 0 HB3 ARG A 95 -7.699 10.575 -10.976 1.00 33.40 H new ATOM 0 HG2 ARG A 95 -5.931 9.719 -12.512 1.00 63.10 H new ATOM 0 HG3 ARG A 95 -6.532 8.085 -12.306 1.00 63.10 H new ATOM 0 HD2 ARG A 95 -7.374 9.030 -14.416 1.00 21.24 H new ATOM 0 HD3 ARG A 95 -8.709 8.734 -13.320 1.00 21.24 H new ATOM 0 HE ARG A 95 -7.808 11.437 -12.955 1.00 75.30 H new ATOM 0 HH11 ARG A 95 -9.537 9.437 -15.351 1.00 11.34 H new ATOM 0 HH12 ARG A 95 -10.418 10.819 -16.011 1.00 11.34 H new ATOM 0 HH21 ARG A 95 -8.947 13.164 -13.824 1.00 3.21 H new ATOM 0 HH22 ARG A 95 -10.084 12.911 -15.152 1.00 3.21 H new ATOM 1634 N LYS A 96 -7.944 9.297 -7.827 1.00 31.14 N ATOM 1635 CA LYS A 96 -8.569 9.786 -6.584 1.00 32.32 C ATOM 1636 C LYS A 96 -7.553 9.736 -5.433 1.00 35.21 C ATOM 1637 O LYS A 96 -7.412 10.705 -4.690 1.00 0.30 O ATOM 1638 CB LYS A 96 -9.859 8.966 -6.243 1.00 51.11 C ATOM 1639 CG LYS A 96 -11.118 9.345 -7.075 1.00 53.32 C ATOM 1640 CD LYS A 96 -10.937 9.177 -8.603 1.00 31.34 C ATOM 1641 CE LYS A 96 -12.191 9.555 -9.410 1.00 22.13 C ATOM 1642 NZ LYS A 96 -13.340 8.675 -9.097 1.00 1.13 N ATOM 0 H LYS A 96 -8.303 8.394 -8.136 1.00 31.14 H new ATOM 0 HA LYS A 96 -8.874 10.822 -6.729 1.00 32.32 H new ATOM 0 HB2 LYS A 96 -9.648 7.907 -6.393 1.00 51.11 H new ATOM 0 HB3 LYS A 96 -10.087 9.099 -5.186 1.00 51.11 H new ATOM 0 HG2 LYS A 96 -11.956 8.728 -6.749 1.00 53.32 H new ATOM 0 HG3 LYS A 96 -11.383 10.381 -6.863 1.00 53.32 H new ATOM 0 HD2 LYS A 96 -10.101 9.794 -8.933 1.00 31.34 H new ATOM 0 HD3 LYS A 96 -10.673 8.142 -8.819 1.00 31.34 H new ATOM 0 HE2 LYS A 96 -12.459 10.590 -9.199 1.00 22.13 H new ATOM 0 HE3 LYS A 96 -11.968 9.495 -10.475 1.00 22.13 H new ATOM 0 HZ1 LYS A 96 -14.137 8.909 -9.722 1.00 1.13 H new ATOM 0 HZ2 LYS A 96 -13.066 7.682 -9.242 1.00 1.13 H new ATOM 0 HZ3 LYS A 96 -13.624 8.815 -8.106 1.00 1.13 H new ATOM 1656 N ILE A 97 -6.816 8.610 -5.349 1.00 44.40 N ATOM 1657 CA ILE A 97 -5.807 8.359 -4.296 1.00 72.44 C ATOM 1658 C ILE A 97 -4.669 9.408 -4.352 1.00 14.24 C ATOM 1659 O ILE A 97 -4.256 9.956 -3.320 1.00 61.45 O ATOM 1660 CB ILE A 97 -5.200 6.905 -4.427 1.00 71.14 C ATOM 1661 CG1 ILE A 97 -6.330 5.812 -4.399 1.00 22.43 C ATOM 1662 CG2 ILE A 97 -4.117 6.634 -3.350 1.00 31.13 C ATOM 1663 CD1 ILE A 97 -7.267 5.855 -3.201 1.00 5.12 C ATOM 0 H ILE A 97 -6.904 7.842 -6.015 1.00 44.40 H new ATOM 0 HA ILE A 97 -6.313 8.443 -3.334 1.00 72.44 H new ATOM 0 HB ILE A 97 -4.707 6.844 -5.397 1.00 71.14 H new ATOM 0 HG12 ILE A 97 -6.926 5.911 -5.306 1.00 22.43 H new ATOM 0 HG13 ILE A 97 -5.859 4.829 -4.432 1.00 22.43 H new ATOM 0 HG21 ILE A 97 -3.725 5.625 -3.474 1.00 31.13 H new ATOM 0 HG22 ILE A 97 -3.306 7.354 -3.460 1.00 31.13 H new ATOM 0 HG23 ILE A 97 -4.558 6.732 -2.358 1.00 31.13 H new ATOM 0 HD11 ILE A 97 -8.005 5.057 -3.287 1.00 5.12 H new ATOM 0 HD12 ILE A 97 -6.692 5.720 -2.285 1.00 5.12 H new ATOM 0 HD13 ILE A 97 -7.776 6.818 -3.172 1.00 5.12 H new ATOM 1675 N GLU A 98 -4.197 9.680 -5.579 1.00 60.24 N ATOM 1676 CA GLU A 98 -3.115 10.646 -5.841 1.00 4.44 C ATOM 1677 C GLU A 98 -3.574 12.083 -5.535 1.00 45.13 C ATOM 1678 O GLU A 98 -2.789 12.910 -5.048 1.00 40.24 O ATOM 1679 CB GLU A 98 -2.629 10.510 -7.308 1.00 64.34 C ATOM 1680 CG GLU A 98 -1.352 11.305 -7.634 1.00 12.33 C ATOM 1681 CD GLU A 98 -0.843 11.069 -9.058 1.00 61.43 C ATOM 1682 OE1 GLU A 98 -1.313 11.761 -9.989 1.00 35.53 O ATOM 1683 OE2 GLU A 98 0.007 10.168 -9.265 1.00 44.43 O ATOM 0 H GLU A 98 -4.557 9.234 -6.423 1.00 60.24 H new ATOM 0 HA GLU A 98 -2.278 10.424 -5.179 1.00 4.44 H new ATOM 0 HB2 GLU A 98 -2.450 9.456 -7.522 1.00 64.34 H new ATOM 0 HB3 GLU A 98 -3.427 10.840 -7.974 1.00 64.34 H new ATOM 0 HG2 GLU A 98 -1.549 12.368 -7.497 1.00 12.33 H new ATOM 0 HG3 GLU A 98 -0.570 11.031 -6.925 1.00 12.33 H new ATOM 1690 N SER A 99 -4.873 12.349 -5.779 1.00 13.44 N ATOM 1691 CA SER A 99 -5.491 13.657 -5.511 1.00 25.30 C ATOM 1692 C SER A 99 -5.681 13.868 -3.991 1.00 64.05 C ATOM 1693 O SER A 99 -5.733 15.007 -3.525 1.00 73.10 O ATOM 1694 CB SER A 99 -6.838 13.769 -6.257 1.00 11.35 C ATOM 1695 OG SER A 99 -7.386 15.074 -6.156 1.00 32.04 O ATOM 0 H SER A 99 -5.520 11.662 -6.167 1.00 13.44 H new ATOM 0 HA SER A 99 -4.828 14.441 -5.877 1.00 25.30 H new ATOM 0 HB2 SER A 99 -6.695 13.515 -7.307 1.00 11.35 H new ATOM 0 HB3 SER A 99 -7.543 13.045 -5.847 1.00 11.35 H new ATOM 0 HG SER A 99 -8.237 15.110 -6.640 1.00 32.04 H new ATOM 1701 N GLN A 100 -5.769 12.752 -3.228 1.00 24.04 N ATOM 1702 CA GLN A 100 -5.850 12.777 -1.750 1.00 72.33 C ATOM 1703 C GLN A 100 -4.470 13.052 -1.107 1.00 72.41 C ATOM 1704 O GLN A 100 -4.372 13.166 0.116 1.00 1.44 O ATOM 1705 CB GLN A 100 -6.424 11.432 -1.216 1.00 12.25 C ATOM 1706 CG GLN A 100 -7.896 11.164 -1.579 1.00 13.23 C ATOM 1707 CD GLN A 100 -8.406 9.800 -1.093 1.00 22.03 C ATOM 1708 OE1 GLN A 100 -8.331 8.803 -1.810 1.00 13.45 O ATOM 1709 NE2 GLN A 100 -8.922 9.747 0.125 1.00 62.12 N ATOM 0 H GLN A 100 -5.786 11.811 -3.621 1.00 24.04 H new ATOM 0 HA GLN A 100 -6.519 13.591 -1.472 1.00 72.33 H new ATOM 0 HB2 GLN A 100 -5.815 10.615 -1.603 1.00 12.25 H new ATOM 0 HB3 GLN A 100 -6.324 11.417 -0.131 1.00 12.25 H new ATOM 0 HG2 GLN A 100 -8.517 11.950 -1.149 1.00 13.23 H new ATOM 0 HG3 GLN A 100 -8.012 11.222 -2.661 1.00 13.23 H new ATOM 0 HE21 GLN A 100 -8.970 10.591 0.696 1.00 62.12 H new ATOM 0 HE22 GLN A 100 -9.271 8.862 0.493 1.00 62.12 H new ATOM 1718 N GLY A 101 -3.412 13.136 -1.936 1.00 70.34 N ATOM 1719 CA GLY A 101 -2.060 13.434 -1.456 1.00 53.23 C ATOM 1720 C GLY A 101 -1.286 12.189 -1.060 1.00 10.14 C ATOM 1721 O GLY A 101 -0.308 12.273 -0.311 1.00 35.22 O ATOM 0 H GLY A 101 -3.474 13.000 -2.945 1.00 70.34 H new ATOM 0 HA2 GLY A 101 -1.512 13.964 -2.235 1.00 53.23 H new ATOM 0 HA3 GLY A 101 -2.124 14.104 -0.599 1.00 53.23 H new ATOM 1725 N TYR A 102 -1.737 11.022 -1.549 1.00 23.04 N ATOM 1726 CA TYR A 102 -1.057 9.732 -1.333 1.00 13.21 C ATOM 1727 C TYR A 102 -0.361 9.310 -2.619 1.00 30.22 C ATOM 1728 O TYR A 102 -0.934 9.427 -3.708 1.00 23.41 O ATOM 1729 CB TYR A 102 -2.066 8.651 -0.876 1.00 32.41 C ATOM 1730 CG TYR A 102 -2.705 8.970 0.476 1.00 41.20 C ATOM 1731 CD1 TYR A 102 -1.939 8.939 1.642 1.00 15.12 C ATOM 1732 CD2 TYR A 102 -4.052 9.329 0.587 1.00 23.14 C ATOM 1733 CE1 TYR A 102 -2.489 9.244 2.861 1.00 34.32 C ATOM 1734 CE2 TYR A 102 -4.606 9.643 1.809 1.00 2.04 C ATOM 1735 CZ TYR A 102 -3.818 9.597 2.942 1.00 53.54 C ATOM 1736 OH TYR A 102 -4.350 9.921 4.155 1.00 4.12 O ATOM 0 H TYR A 102 -2.587 10.945 -2.108 1.00 23.04 H new ATOM 0 HA TYR A 102 -0.314 9.846 -0.544 1.00 13.21 H new ATOM 0 HB2 TYR A 102 -2.849 8.550 -1.628 1.00 32.41 H new ATOM 0 HB3 TYR A 102 -1.557 7.689 -0.814 1.00 32.41 H new ATOM 0 HD1 TYR A 102 -0.895 8.670 1.584 1.00 15.12 H new ATOM 0 HD2 TYR A 102 -4.668 9.361 -0.299 1.00 23.14 H new ATOM 0 HE1 TYR A 102 -1.882 9.208 3.754 1.00 34.32 H new ATOM 0 HE2 TYR A 102 -5.647 9.922 1.880 1.00 2.04 H new ATOM 0 HH TYR A 102 -3.871 10.690 4.527 1.00 4.12 H new ATOM 1746 N GLU A 103 0.885 8.826 -2.495 1.00 75.45 N ATOM 1747 CA GLU A 103 1.676 8.434 -3.659 1.00 23.14 C ATOM 1748 C GLU A 103 1.214 7.065 -4.145 1.00 13.10 C ATOM 1749 O GLU A 103 1.106 6.137 -3.348 1.00 3.31 O ATOM 1750 CB GLU A 103 3.191 8.417 -3.350 1.00 72.12 C ATOM 1751 CG GLU A 103 4.085 8.123 -4.581 1.00 64.23 C ATOM 1752 CD GLU A 103 3.987 9.208 -5.683 1.00 21.35 C ATOM 1753 OE1 GLU A 103 2.947 9.283 -6.384 1.00 73.12 O ATOM 1754 OE2 GLU A 103 4.945 9.980 -5.864 1.00 10.51 O ATOM 0 H GLU A 103 1.360 8.699 -1.601 1.00 75.45 H new ATOM 0 HA GLU A 103 1.520 9.175 -4.443 1.00 23.14 H new ATOM 0 HB2 GLU A 103 3.476 9.382 -2.930 1.00 72.12 H new ATOM 0 HB3 GLU A 103 3.386 7.666 -2.585 1.00 72.12 H new ATOM 0 HG2 GLU A 103 5.122 8.038 -4.256 1.00 64.23 H new ATOM 0 HG3 GLU A 103 3.803 7.159 -5.004 1.00 64.23 H new ATOM 1761 N VAL A 104 0.928 6.957 -5.445 1.00 32.14 N ATOM 1762 CA VAL A 104 0.443 5.719 -6.048 1.00 53.22 C ATOM 1763 C VAL A 104 1.072 5.497 -7.433 1.00 2.30 C ATOM 1764 O VAL A 104 1.027 6.373 -8.305 1.00 41.41 O ATOM 1765 CB VAL A 104 -1.127 5.682 -6.129 1.00 55.44 C ATOM 1766 CG1 VAL A 104 -1.704 6.961 -6.771 1.00 63.01 C ATOM 1767 CG2 VAL A 104 -1.614 4.403 -6.856 1.00 11.51 C ATOM 0 H VAL A 104 1.027 7.727 -6.107 1.00 32.14 H new ATOM 0 HA VAL A 104 0.752 4.900 -5.398 1.00 53.22 H new ATOM 0 HB VAL A 104 -1.507 5.649 -5.108 1.00 55.44 H new ATOM 0 HG11 VAL A 104 -2.791 6.892 -6.806 1.00 63.01 H new ATOM 0 HG12 VAL A 104 -1.415 7.828 -6.178 1.00 63.01 H new ATOM 0 HG13 VAL A 104 -1.314 7.068 -7.783 1.00 63.01 H new ATOM 0 HG21 VAL A 104 -2.703 4.401 -6.899 1.00 11.51 H new ATOM 0 HG22 VAL A 104 -1.211 4.384 -7.869 1.00 11.51 H new ATOM 0 HG23 VAL A 104 -1.271 3.523 -6.313 1.00 11.51 H new ATOM 1777 N ARG A 105 1.668 4.314 -7.614 1.00 44.05 N ATOM 1778 CA ARG A 105 2.164 3.844 -8.907 1.00 23.53 C ATOM 1779 C ARG A 105 1.252 2.734 -9.441 1.00 32.14 C ATOM 1780 O ARG A 105 0.752 1.904 -8.682 1.00 31.15 O ATOM 1781 CB ARG A 105 3.614 3.314 -8.786 1.00 4.10 C ATOM 1782 CG ARG A 105 4.688 4.378 -8.457 1.00 34.11 C ATOM 1783 CD ARG A 105 4.916 5.405 -9.589 1.00 61.31 C ATOM 1784 NE ARG A 105 3.874 6.449 -9.639 1.00 64.31 N ATOM 1785 CZ ARG A 105 3.970 7.661 -9.069 1.00 75.21 C ATOM 1786 NH1 ARG A 105 5.067 8.032 -8.401 1.00 44.40 N ATOM 1787 NH2 ARG A 105 2.955 8.503 -9.156 1.00 32.40 N ATOM 0 H ARG A 105 1.820 3.649 -6.856 1.00 44.05 H new ATOM 0 HA ARG A 105 2.162 4.685 -9.600 1.00 23.53 H new ATOM 0 HB2 ARG A 105 3.638 2.547 -8.012 1.00 4.10 H new ATOM 0 HB3 ARG A 105 3.884 2.829 -9.724 1.00 4.10 H new ATOM 0 HG2 ARG A 105 4.395 4.909 -7.551 1.00 34.11 H new ATOM 0 HG3 ARG A 105 5.630 3.875 -8.241 1.00 34.11 H new ATOM 0 HD2 ARG A 105 5.889 5.877 -9.453 1.00 61.31 H new ATOM 0 HD3 ARG A 105 4.946 4.883 -10.545 1.00 61.31 H new ATOM 0 HE ARG A 105 3.015 6.233 -10.145 1.00 64.31 H new ATOM 0 HH11 ARG A 105 5.854 7.389 -8.316 1.00 44.40 H new ATOM 0 HH12 ARG A 105 5.117 8.958 -7.976 1.00 44.40 H new ATOM 0 HH21 ARG A 105 2.107 8.230 -9.653 1.00 32.40 H new ATOM 0 HH22 ARG A 105 3.019 9.426 -8.726 1.00 32.40 H new ATOM 1801 N LYS A 106 1.045 2.754 -10.755 1.00 51.11 N ATOM 1802 CA LYS A 106 0.405 1.682 -11.514 1.00 55.31 C ATOM 1803 C LYS A 106 1.509 0.992 -12.331 1.00 23.13 C ATOM 1804 O LYS A 106 2.243 1.661 -13.064 1.00 35.23 O ATOM 1805 CB LYS A 106 -0.730 2.277 -12.420 1.00 73.02 C ATOM 1806 CG LYS A 106 -1.416 1.295 -13.423 1.00 70.44 C ATOM 1807 CD LYS A 106 -0.646 1.132 -14.769 1.00 53.24 C ATOM 1808 CE LYS A 106 -0.531 2.450 -15.556 1.00 53.15 C ATOM 1809 NZ LYS A 106 0.221 2.284 -16.832 1.00 51.31 N ATOM 0 H LYS A 106 1.327 3.541 -11.340 1.00 51.11 H new ATOM 0 HA LYS A 106 -0.073 0.949 -10.864 1.00 55.31 H new ATOM 0 HB2 LYS A 106 -1.500 2.693 -11.771 1.00 73.02 H new ATOM 0 HB3 LYS A 106 -0.311 3.107 -12.989 1.00 73.02 H new ATOM 0 HG2 LYS A 106 -1.514 0.318 -12.951 1.00 70.44 H new ATOM 0 HG3 LYS A 106 -2.425 1.651 -13.633 1.00 70.44 H new ATOM 0 HD2 LYS A 106 0.353 0.747 -14.566 1.00 53.24 H new ATOM 0 HD3 LYS A 106 -1.154 0.390 -15.385 1.00 53.24 H new ATOM 0 HE2 LYS A 106 -1.530 2.830 -15.772 1.00 53.15 H new ATOM 0 HE3 LYS A 106 -0.033 3.197 -14.938 1.00 53.15 H new ATOM 0 HZ1 LYS A 106 0.033 3.096 -17.454 1.00 51.31 H new ATOM 0 HZ2 LYS A 106 1.240 2.231 -16.630 1.00 51.31 H new ATOM 0 HZ3 LYS A 106 -0.084 1.409 -17.303 1.00 51.31 H new ATOM 1823 N VAL A 107 1.628 -0.332 -12.195 1.00 11.21 N ATOM 1824 CA VAL A 107 2.614 -1.147 -12.938 1.00 3.13 C ATOM 1825 C VAL A 107 1.918 -2.368 -13.564 1.00 24.25 C ATOM 1826 O VAL A 107 0.768 -2.690 -13.222 1.00 53.24 O ATOM 1827 CB VAL A 107 3.804 -1.616 -12.009 1.00 21.35 C ATOM 1828 CG1 VAL A 107 4.580 -0.411 -11.431 1.00 10.51 C ATOM 1829 CG2 VAL A 107 3.300 -2.533 -10.887 1.00 73.11 C ATOM 0 H VAL A 107 1.042 -0.879 -11.564 1.00 11.21 H new ATOM 0 HA VAL A 107 3.037 -0.524 -13.727 1.00 3.13 H new ATOM 0 HB VAL A 107 4.496 -2.188 -12.627 1.00 21.35 H new ATOM 0 HG11 VAL A 107 5.391 -0.770 -10.797 1.00 10.51 H new ATOM 0 HG12 VAL A 107 4.993 0.181 -12.248 1.00 10.51 H new ATOM 0 HG13 VAL A 107 3.904 0.207 -10.840 1.00 10.51 H new ATOM 0 HG21 VAL A 107 4.140 -2.840 -10.264 1.00 73.11 H new ATOM 0 HG22 VAL A 107 2.573 -1.996 -10.278 1.00 73.11 H new ATOM 0 HG23 VAL A 107 2.829 -3.415 -11.322 1.00 73.11 H new ATOM 1839 N THR A 108 2.623 -3.036 -14.487 1.00 72.13 N ATOM 1840 CA THR A 108 2.135 -4.251 -15.167 1.00 3.32 C ATOM 1841 C THR A 108 3.121 -5.420 -14.955 1.00 21.43 C ATOM 1842 O THR A 108 2.702 -6.569 -14.772 1.00 3.10 O ATOM 1843 CB THR A 108 1.926 -3.991 -16.703 1.00 21.15 C ATOM 1844 OG1 THR A 108 3.125 -3.429 -17.271 1.00 42.10 O ATOM 1845 CG2 THR A 108 0.729 -3.048 -16.977 1.00 52.43 C ATOM 0 H THR A 108 3.555 -2.749 -14.787 1.00 72.13 H new ATOM 0 HA THR A 108 1.172 -4.518 -14.731 1.00 3.32 H new ATOM 0 HB THR A 108 1.705 -4.951 -17.170 1.00 21.15 H new ATOM 0 HG1 THR A 108 3.845 -4.093 -17.237 1.00 42.10 H new ATOM 0 HG21 THR A 108 0.623 -2.897 -18.051 1.00 52.43 H new ATOM 0 HG22 THR A 108 -0.184 -3.494 -16.581 1.00 52.43 H new ATOM 0 HG23 THR A 108 0.904 -2.088 -16.491 1.00 52.43 H new ATOM 1853 N ASP A 109 4.433 -5.112 -14.980 1.00 24.44 N ATOM 1854 CA ASP A 109 5.502 -6.132 -14.877 1.00 4.13 C ATOM 1855 C ASP A 109 5.831 -6.460 -13.411 1.00 71.23 C ATOM 1856 O ASP A 109 5.596 -5.649 -12.504 1.00 24.04 O ATOM 1857 CB ASP A 109 6.787 -5.659 -15.618 1.00 21.20 C ATOM 1858 CG ASP A 109 6.608 -5.536 -17.137 1.00 14.04 C ATOM 1859 OD1 ASP A 109 5.934 -4.582 -17.592 1.00 4.20 O ATOM 1860 OD2 ASP A 109 7.144 -6.381 -17.893 1.00 13.34 O ATOM 0 H ASP A 109 4.782 -4.158 -15.071 1.00 24.44 H new ATOM 0 HA ASP A 109 5.132 -7.040 -15.352 1.00 4.13 H new ATOM 0 HB2 ASP A 109 7.093 -4.693 -15.217 1.00 21.20 H new ATOM 0 HB3 ASP A 109 7.595 -6.361 -15.411 1.00 21.20 H new ATOM 1865 N ASP A 110 6.408 -7.659 -13.221 1.00 51.44 N ATOM 1866 CA ASP A 110 6.822 -8.188 -11.906 1.00 33.12 C ATOM 1867 C ASP A 110 8.014 -7.380 -11.374 1.00 24.32 C ATOM 1868 O ASP A 110 7.943 -6.797 -10.286 1.00 70.52 O ATOM 1869 CB ASP A 110 7.191 -9.697 -12.051 1.00 12.14 C ATOM 1870 CG ASP A 110 7.758 -10.351 -10.773 1.00 4.32 C ATOM 1871 OD1 ASP A 110 8.979 -10.241 -10.531 1.00 73.24 O ATOM 1872 OD2 ASP A 110 6.997 -11.006 -10.024 1.00 64.31 O ATOM 0 H ASP A 110 6.604 -8.301 -13.989 1.00 51.44 H new ATOM 0 HA ASP A 110 6.002 -8.096 -11.193 1.00 33.12 H new ATOM 0 HB2 ASP A 110 6.301 -10.246 -12.359 1.00 12.14 H new ATOM 0 HB3 ASP A 110 7.923 -9.802 -12.851 1.00 12.14 H new ATOM 1877 N GLU A 111 9.092 -7.329 -12.188 1.00 41.23 N ATOM 1878 CA GLU A 111 10.348 -6.638 -11.831 1.00 73.24 C ATOM 1879 C GLU A 111 10.111 -5.127 -11.643 1.00 30.25 C ATOM 1880 O GLU A 111 10.737 -4.490 -10.785 1.00 72.42 O ATOM 1881 CB GLU A 111 11.436 -6.883 -12.915 1.00 70.44 C ATOM 1882 CG GLU A 111 11.085 -6.356 -14.328 1.00 24.14 C ATOM 1883 CD GLU A 111 12.196 -6.615 -15.358 1.00 50.33 C ATOM 1884 OE1 GLU A 111 12.213 -7.712 -15.965 1.00 33.54 O ATOM 1885 OE2 GLU A 111 13.070 -5.734 -15.553 1.00 60.32 O ATOM 0 H GLU A 111 9.114 -7.766 -13.110 1.00 41.23 H new ATOM 0 HA GLU A 111 10.701 -7.049 -10.885 1.00 73.24 H new ATOM 0 HB2 GLU A 111 12.364 -6.413 -12.589 1.00 70.44 H new ATOM 0 HB3 GLU A 111 11.627 -7.954 -12.981 1.00 70.44 H new ATOM 0 HG2 GLU A 111 10.164 -6.830 -14.668 1.00 24.14 H new ATOM 0 HG3 GLU A 111 10.891 -5.285 -14.273 1.00 24.14 H new ATOM 1892 N GLU A 112 9.180 -4.579 -12.449 1.00 63.43 N ATOM 1893 CA GLU A 112 8.802 -3.164 -12.405 1.00 25.22 C ATOM 1894 C GLU A 112 8.143 -2.837 -11.055 1.00 44.44 C ATOM 1895 O GLU A 112 8.407 -1.800 -10.480 1.00 0.52 O ATOM 1896 CB GLU A 112 7.843 -2.835 -13.574 1.00 45.23 C ATOM 1897 CG GLU A 112 7.381 -1.361 -13.658 1.00 63.34 C ATOM 1898 CD GLU A 112 6.256 -1.097 -14.676 1.00 11.24 C ATOM 1899 OE1 GLU A 112 5.549 -2.052 -15.084 1.00 43.52 O ATOM 1900 OE2 GLU A 112 6.044 0.081 -15.044 1.00 42.33 O ATOM 0 H GLU A 112 8.670 -5.115 -13.151 1.00 63.43 H new ATOM 0 HA GLU A 112 9.698 -2.552 -12.510 1.00 25.22 H new ATOM 0 HB2 GLU A 112 8.335 -3.098 -14.510 1.00 45.23 H new ATOM 0 HB3 GLU A 112 6.961 -3.470 -13.488 1.00 45.23 H new ATOM 0 HG2 GLU A 112 7.042 -1.044 -12.672 1.00 63.34 H new ATOM 0 HG3 GLU A 112 8.239 -0.740 -13.915 1.00 63.34 H new ATOM 1907 N ALA A 113 7.301 -3.749 -10.556 1.00 64.41 N ATOM 1908 CA ALA A 113 6.657 -3.598 -9.241 1.00 3.05 C ATOM 1909 C ALA A 113 7.693 -3.616 -8.103 1.00 73.51 C ATOM 1910 O ALA A 113 7.606 -2.814 -7.168 1.00 24.23 O ATOM 1911 CB ALA A 113 5.619 -4.702 -9.040 1.00 64.11 C ATOM 0 H ALA A 113 7.047 -4.607 -11.046 1.00 64.41 H new ATOM 0 HA ALA A 113 6.157 -2.630 -9.215 1.00 3.05 H new ATOM 0 HB1 ALA A 113 5.147 -4.584 -8.065 1.00 64.11 H new ATOM 0 HB2 ALA A 113 4.861 -4.636 -9.821 1.00 64.11 H new ATOM 0 HB3 ALA A 113 6.108 -5.675 -9.091 1.00 64.11 H new ATOM 1917 N LEU A 114 8.680 -4.522 -8.221 1.00 52.01 N ATOM 1918 CA LEU A 114 9.731 -4.726 -7.201 1.00 34.44 C ATOM 1919 C LEU A 114 10.590 -3.472 -7.002 1.00 33.44 C ATOM 1920 O LEU A 114 10.879 -3.092 -5.862 1.00 64.21 O ATOM 1921 CB LEU A 114 10.620 -5.939 -7.583 1.00 4.24 C ATOM 1922 CG LEU A 114 9.885 -7.313 -7.625 1.00 44.42 C ATOM 1923 CD1 LEU A 114 10.816 -8.435 -8.117 1.00 13.02 C ATOM 1924 CD2 LEU A 114 9.267 -7.647 -6.249 1.00 32.15 C ATOM 0 H LEU A 114 8.774 -5.137 -9.029 1.00 52.01 H new ATOM 0 HA LEU A 114 9.234 -4.931 -6.253 1.00 34.44 H new ATOM 0 HB2 LEU A 114 11.062 -5.751 -8.562 1.00 4.24 H new ATOM 0 HB3 LEU A 114 11.441 -6.006 -6.870 1.00 4.24 H new ATOM 0 HG LEU A 114 9.070 -7.236 -8.345 1.00 44.42 H new ATOM 0 HD11 LEU A 114 10.271 -9.379 -8.134 1.00 13.02 H new ATOM 0 HD12 LEU A 114 11.168 -8.201 -9.122 1.00 13.02 H new ATOM 0 HD13 LEU A 114 11.669 -8.521 -7.444 1.00 13.02 H new ATOM 0 HD21 LEU A 114 8.759 -8.610 -6.302 1.00 32.15 H new ATOM 0 HD22 LEU A 114 10.055 -7.693 -5.498 1.00 32.15 H new ATOM 0 HD23 LEU A 114 8.550 -6.873 -5.975 1.00 32.15 H new ATOM 1936 N LYS A 115 10.974 -2.825 -8.120 1.00 63.13 N ATOM 1937 CA LYS A 115 11.824 -1.627 -8.082 1.00 13.41 C ATOM 1938 C LYS A 115 11.054 -0.432 -7.481 1.00 33.31 C ATOM 1939 O LYS A 115 11.652 0.424 -6.832 1.00 44.34 O ATOM 1940 CB LYS A 115 12.366 -1.274 -9.493 1.00 54.53 C ATOM 1941 CG LYS A 115 11.287 -0.890 -10.526 1.00 1.32 C ATOM 1942 CD LYS A 115 11.860 -0.278 -11.817 1.00 65.34 C ATOM 1943 CE LYS A 115 12.483 1.108 -11.582 1.00 65.02 C ATOM 1944 NZ LYS A 115 13.036 1.682 -12.833 1.00 22.04 N ATOM 0 H LYS A 115 10.706 -3.116 -9.060 1.00 63.13 H new ATOM 0 HA LYS A 115 12.679 -1.846 -7.442 1.00 13.41 H new ATOM 0 HB2 LYS A 115 13.069 -0.447 -9.399 1.00 54.53 H new ATOM 0 HB3 LYS A 115 12.926 -2.127 -9.875 1.00 54.53 H new ATOM 0 HG2 LYS A 115 10.707 -1.777 -10.781 1.00 1.32 H new ATOM 0 HG3 LYS A 115 10.598 -0.179 -10.071 1.00 1.32 H new ATOM 0 HD2 LYS A 115 12.615 -0.948 -12.229 1.00 65.34 H new ATOM 0 HD3 LYS A 115 11.067 -0.196 -12.560 1.00 65.34 H new ATOM 0 HE2 LYS A 115 11.729 1.782 -11.175 1.00 65.02 H new ATOM 0 HE3 LYS A 115 13.275 1.029 -10.837 1.00 65.02 H new ATOM 0 HZ1 LYS A 115 13.447 2.616 -12.634 1.00 22.04 H new ATOM 0 HZ2 LYS A 115 13.774 1.052 -13.208 1.00 22.04 H new ATOM 0 HZ3 LYS A 115 12.275 1.781 -13.535 1.00 22.04 H new ATOM 1958 N ILE A 116 9.720 -0.405 -7.698 1.00 70.40 N ATOM 1959 CA ILE A 116 8.828 0.634 -7.152 1.00 72.14 C ATOM 1960 C ILE A 116 8.744 0.529 -5.617 1.00 0.34 C ATOM 1961 O ILE A 116 8.740 1.545 -4.921 1.00 55.14 O ATOM 1962 CB ILE A 116 7.389 0.539 -7.785 1.00 2.43 C ATOM 1963 CG1 ILE A 116 7.422 0.802 -9.323 1.00 33.25 C ATOM 1964 CG2 ILE A 116 6.400 1.494 -7.097 1.00 1.21 C ATOM 1965 CD1 ILE A 116 7.941 2.157 -9.745 1.00 42.20 C ATOM 0 H ILE A 116 9.234 -1.106 -8.258 1.00 70.40 H new ATOM 0 HA ILE A 116 9.251 1.604 -7.413 1.00 72.14 H new ATOM 0 HB ILE A 116 7.039 -0.480 -7.622 1.00 2.43 H new ATOM 0 HG12 ILE A 116 8.039 0.035 -9.791 1.00 33.25 H new ATOM 0 HG13 ILE A 116 6.412 0.682 -9.715 1.00 33.25 H new ATOM 0 HG21 ILE A 116 5.419 1.399 -7.562 1.00 1.21 H new ATOM 0 HG22 ILE A 116 6.326 1.241 -6.039 1.00 1.21 H new ATOM 0 HG23 ILE A 116 6.753 2.520 -7.201 1.00 1.21 H new ATOM 0 HD11 ILE A 116 7.920 2.232 -10.832 1.00 42.20 H new ATOM 0 HD12 ILE A 116 7.313 2.937 -9.315 1.00 42.20 H new ATOM 0 HD13 ILE A 116 8.965 2.280 -9.392 1.00 42.20 H new ATOM 1977 N VAL A 117 8.674 -0.712 -5.109 1.00 44.43 N ATOM 1978 CA VAL A 117 8.714 -0.997 -3.662 1.00 14.34 C ATOM 1979 C VAL A 117 10.065 -0.534 -3.075 1.00 33.04 C ATOM 1980 O VAL A 117 10.114 0.062 -1.989 1.00 52.12 O ATOM 1981 CB VAL A 117 8.473 -2.529 -3.385 1.00 1.41 C ATOM 1982 CG1 VAL A 117 8.569 -2.870 -1.880 1.00 65.23 C ATOM 1983 CG2 VAL A 117 7.107 -2.975 -3.956 1.00 42.30 C ATOM 0 H VAL A 117 8.588 -1.547 -5.688 1.00 44.43 H new ATOM 0 HA VAL A 117 7.913 -0.444 -3.172 1.00 14.34 H new ATOM 0 HB VAL A 117 9.266 -3.079 -3.893 1.00 1.41 H new ATOM 0 HG11 VAL A 117 8.396 -3.937 -1.737 1.00 65.23 H new ATOM 0 HG12 VAL A 117 9.561 -2.611 -1.511 1.00 65.23 H new ATOM 0 HG13 VAL A 117 7.818 -2.304 -1.330 1.00 65.23 H new ATOM 0 HG21 VAL A 117 6.958 -4.036 -3.755 1.00 42.30 H new ATOM 0 HG22 VAL A 117 6.310 -2.401 -3.484 1.00 42.30 H new ATOM 0 HG23 VAL A 117 7.089 -2.803 -5.032 1.00 42.30 H new ATOM 1993 N ARG A 118 11.149 -0.781 -3.846 1.00 41.34 N ATOM 1994 CA ARG A 118 12.517 -0.355 -3.488 1.00 44.24 C ATOM 1995 C ARG A 118 12.665 1.180 -3.539 1.00 4.20 C ATOM 1996 O ARG A 118 13.575 1.724 -2.916 1.00 54.30 O ATOM 1997 CB ARG A 118 13.575 -1.033 -4.401 1.00 65.24 C ATOM 1998 CG ARG A 118 13.652 -2.567 -4.241 1.00 53.24 C ATOM 1999 CD ARG A 118 14.711 -3.212 -5.153 1.00 43.01 C ATOM 2000 NE ARG A 118 14.769 -4.672 -4.961 1.00 61.54 N ATOM 2001 CZ ARG A 118 15.794 -5.474 -5.301 1.00 53.00 C ATOM 2002 NH1 ARG A 118 16.898 -4.990 -5.866 1.00 75.35 N ATOM 2003 NH2 ARG A 118 15.710 -6.771 -5.064 1.00 33.31 N ATOM 0 H ARG A 118 11.097 -1.281 -4.733 1.00 41.34 H new ATOM 0 HA ARG A 118 12.694 -0.676 -2.462 1.00 44.24 H new ATOM 0 HB2 ARG A 118 13.347 -0.797 -5.441 1.00 65.24 H new ATOM 0 HB3 ARG A 118 14.554 -0.606 -4.184 1.00 65.24 H new ATOM 0 HG2 ARG A 118 13.879 -2.808 -3.202 1.00 53.24 H new ATOM 0 HG3 ARG A 118 12.677 -3.000 -4.463 1.00 53.24 H new ATOM 0 HD2 ARG A 118 14.480 -2.989 -6.195 1.00 43.01 H new ATOM 0 HD3 ARG A 118 15.688 -2.777 -4.943 1.00 43.01 H new ATOM 0 HE ARG A 118 13.957 -5.115 -4.531 1.00 61.54 H new ATOM 0 HH11 ARG A 118 16.980 -3.990 -6.050 1.00 75.35 H new ATOM 0 HH12 ARG A 118 17.662 -5.619 -6.115 1.00 75.35 H new ATOM 0 HH21 ARG A 118 14.873 -7.156 -4.627 1.00 33.31 H new ATOM 0 HH22 ARG A 118 16.482 -7.387 -5.318 1.00 33.31 H new ATOM 2017 N GLU A 119 11.792 1.868 -4.310 1.00 64.14 N ATOM 2018 CA GLU A 119 11.718 3.343 -4.300 1.00 0.02 C ATOM 2019 C GLU A 119 11.010 3.826 -3.030 1.00 32.14 C ATOM 2020 O GLU A 119 11.551 4.658 -2.305 1.00 52.24 O ATOM 2021 CB GLU A 119 10.972 3.905 -5.540 1.00 35.11 C ATOM 2022 CG GLU A 119 11.660 3.645 -6.895 1.00 1.40 C ATOM 2023 CD GLU A 119 11.022 4.428 -8.057 1.00 70.13 C ATOM 2024 OE1 GLU A 119 9.785 4.393 -8.203 1.00 22.44 O ATOM 2025 OE2 GLU A 119 11.754 5.102 -8.819 1.00 71.42 O ATOM 0 H GLU A 119 11.130 1.423 -4.946 1.00 64.14 H new ATOM 0 HA GLU A 119 12.743 3.712 -4.327 1.00 0.02 H new ATOM 0 HB2 GLU A 119 9.972 3.472 -5.570 1.00 35.11 H new ATOM 0 HB3 GLU A 119 10.850 4.981 -5.414 1.00 35.11 H new ATOM 0 HG2 GLU A 119 12.713 3.915 -6.818 1.00 1.40 H new ATOM 0 HG3 GLU A 119 11.619 2.579 -7.118 1.00 1.40 H new ATOM 2032 N PHE A 120 9.799 3.281 -2.789 1.00 51.21 N ATOM 2033 CA PHE A 120 8.894 3.694 -1.688 1.00 65.00 C ATOM 2034 C PHE A 120 9.607 3.753 -0.321 1.00 43.34 C ATOM 2035 O PHE A 120 9.427 4.706 0.434 1.00 31.42 O ATOM 2036 CB PHE A 120 7.661 2.739 -1.622 1.00 22.02 C ATOM 2037 CG PHE A 120 6.610 2.899 -2.736 1.00 31.42 C ATOM 2038 CD1 PHE A 120 6.522 4.061 -3.517 1.00 23.25 C ATOM 2039 CD2 PHE A 120 5.666 1.891 -2.960 1.00 24.44 C ATOM 2040 CE1 PHE A 120 5.533 4.202 -4.477 1.00 70.03 C ATOM 2041 CE2 PHE A 120 4.674 2.040 -3.911 1.00 12.24 C ATOM 2042 CZ PHE A 120 4.608 3.192 -4.670 1.00 73.21 C ATOM 0 H PHE A 120 9.414 2.530 -3.361 1.00 51.21 H new ATOM 0 HA PHE A 120 8.558 4.707 -1.910 1.00 65.00 H new ATOM 0 HB2 PHE A 120 8.024 1.711 -1.640 1.00 22.02 H new ATOM 0 HB3 PHE A 120 7.166 2.886 -0.662 1.00 22.02 H new ATOM 0 HD1 PHE A 120 7.236 4.858 -3.368 1.00 23.25 H new ATOM 0 HD2 PHE A 120 5.713 0.981 -2.380 1.00 24.44 H new ATOM 0 HE1 PHE A 120 5.484 5.100 -5.074 1.00 70.03 H new ATOM 0 HE2 PHE A 120 3.949 1.254 -4.061 1.00 12.24 H new ATOM 0 HZ PHE A 120 3.834 3.304 -5.415 1.00 73.21 H new ATOM 2052 N MET A 121 10.446 2.744 -0.054 1.00 53.42 N ATOM 2053 CA MET A 121 11.203 2.627 1.209 1.00 62.35 C ATOM 2054 C MET A 121 12.316 3.704 1.343 1.00 43.52 C ATOM 2055 O MET A 121 12.749 4.009 2.460 1.00 72.45 O ATOM 2056 CB MET A 121 11.779 1.194 1.340 1.00 51.42 C ATOM 2057 CG MET A 121 12.677 0.754 0.175 1.00 12.12 C ATOM 2058 SD MET A 121 13.217 -0.967 0.295 1.00 60.01 S ATOM 2059 CE MET A 121 11.661 -1.865 0.315 1.00 13.14 C ATOM 0 H MET A 121 10.623 1.981 -0.707 1.00 53.42 H new ATOM 0 HA MET A 121 10.512 2.810 2.032 1.00 62.35 H new ATOM 0 HB2 MET A 121 12.351 1.130 2.266 1.00 51.42 H new ATOM 0 HB3 MET A 121 10.951 0.491 1.428 1.00 51.42 H new ATOM 0 HG2 MET A 121 12.138 0.893 -0.762 1.00 12.12 H new ATOM 0 HG3 MET A 121 13.554 1.400 0.138 1.00 12.12 H new ATOM 0 HE1 MET A 121 11.789 -2.826 -0.183 1.00 13.14 H new ATOM 0 HE2 MET A 121 11.349 -2.029 1.346 1.00 13.14 H new ATOM 0 HE3 MET A 121 10.899 -1.285 -0.206 1.00 13.14 H new ATOM 2069 N GLN A 122 12.773 4.279 0.208 1.00 54.23 N ATOM 2070 CA GLN A 122 13.770 5.375 0.209 1.00 3.23 C ATOM 2071 C GLN A 122 13.090 6.724 0.509 1.00 53.25 C ATOM 2072 O GLN A 122 13.598 7.516 1.319 1.00 13.40 O ATOM 2073 CB GLN A 122 14.523 5.462 -1.146 1.00 65.43 C ATOM 2074 CG GLN A 122 15.165 4.148 -1.623 1.00 61.40 C ATOM 2075 CD GLN A 122 16.038 3.469 -0.567 1.00 21.34 C ATOM 2076 OE1 GLN A 122 15.563 2.630 0.200 1.00 42.04 O ATOM 2077 NE2 GLN A 122 17.307 3.833 -0.508 1.00 34.44 N ATOM 0 H GLN A 122 12.466 4.001 -0.724 1.00 54.23 H new ATOM 0 HA GLN A 122 14.496 5.153 0.991 1.00 3.23 H new ATOM 0 HB2 GLN A 122 13.825 5.805 -1.910 1.00 65.43 H new ATOM 0 HB3 GLN A 122 15.302 6.219 -1.063 1.00 65.43 H new ATOM 0 HG2 GLN A 122 14.377 3.459 -1.927 1.00 61.40 H new ATOM 0 HG3 GLN A 122 15.771 4.350 -2.506 1.00 61.40 H new ATOM 0 HE21 GLN A 122 17.668 4.531 -1.158 1.00 34.44 H new ATOM 0 HE22 GLN A 122 17.925 3.416 0.188 1.00 34.44 H new ATOM 2086 N LYS A 123 11.938 6.984 -0.159 1.00 4.41 N ATOM 2087 CA LYS A 123 11.140 8.212 0.078 1.00 61.22 C ATOM 2088 C LYS A 123 10.613 8.221 1.522 1.00 34.11 C ATOM 2089 O LYS A 123 10.452 9.285 2.112 1.00 71.14 O ATOM 2090 CB LYS A 123 9.938 8.364 -0.912 1.00 3.20 C ATOM 2091 CG LYS A 123 10.290 8.679 -2.391 1.00 43.14 C ATOM 2092 CD LYS A 123 10.846 7.464 -3.155 1.00 15.52 C ATOM 2093 CE LYS A 123 11.020 7.704 -4.663 1.00 51.53 C ATOM 2094 NZ LYS A 123 12.018 8.769 -4.958 1.00 0.12 N ATOM 0 H LYS A 123 11.543 6.361 -0.864 1.00 4.41 H new ATOM 0 HA LYS A 123 11.808 9.056 -0.093 1.00 61.22 H new ATOM 0 HB2 LYS A 123 9.359 7.441 -0.889 1.00 3.20 H new ATOM 0 HB3 LYS A 123 9.289 9.157 -0.540 1.00 3.20 H new ATOM 0 HG2 LYS A 123 9.398 9.043 -2.900 1.00 43.14 H new ATOM 0 HG3 LYS A 123 11.024 9.484 -2.419 1.00 43.14 H new ATOM 0 HD2 LYS A 123 11.810 7.188 -2.727 1.00 15.52 H new ATOM 0 HD3 LYS A 123 10.177 6.616 -3.007 1.00 15.52 H new ATOM 0 HE2 LYS A 123 11.331 6.776 -5.142 1.00 51.53 H new ATOM 0 HE3 LYS A 123 10.059 7.980 -5.097 1.00 51.53 H new ATOM 0 HZ1 LYS A 123 12.099 8.893 -5.987 1.00 0.12 H new ATOM 0 HZ2 LYS A 123 11.710 9.663 -4.525 1.00 0.12 H new ATOM 0 HZ3 LYS A 123 12.943 8.496 -4.568 1.00 0.12 H new ATOM 2108 N ALA A 124 10.352 7.007 2.052 1.00 44.30 N ATOM 2109 CA ALA A 124 9.888 6.770 3.429 1.00 42.42 C ATOM 2110 C ALA A 124 10.777 7.464 4.477 1.00 54.25 C ATOM 2111 O ALA A 124 10.272 8.113 5.401 1.00 4.22 O ATOM 2112 CB ALA A 124 9.832 5.258 3.692 1.00 25.52 C ATOM 0 H ALA A 124 10.462 6.145 1.518 1.00 44.30 H new ATOM 0 HA ALA A 124 8.893 7.203 3.526 1.00 42.42 H new ATOM 0 HB1 ALA A 124 9.489 5.078 4.711 1.00 25.52 H new ATOM 0 HB2 ALA A 124 9.142 4.792 2.989 1.00 25.52 H new ATOM 0 HB3 ALA A 124 10.826 4.829 3.563 1.00 25.52 H new ATOM 2118 N GLY A 125 12.101 7.326 4.311 1.00 45.44 N ATOM 2119 CA GLY A 125 13.060 7.949 5.218 1.00 30.35 C ATOM 2120 C GLY A 125 13.003 9.470 5.173 1.00 22.35 C ATOM 2121 O GLY A 125 13.128 10.137 6.203 1.00 23.24 O ATOM 0 H GLY A 125 12.526 6.788 3.556 1.00 45.44 H new ATOM 0 HA2 GLY A 125 12.865 7.611 6.236 1.00 30.35 H new ATOM 0 HA3 GLY A 125 14.066 7.619 4.960 1.00 30.35 H new ATOM 2125 N SER A 126 12.800 9.999 3.962 1.00 21.30 N ATOM 2126 CA SER A 126 12.665 11.438 3.723 1.00 73.32 C ATOM 2127 C SER A 126 11.357 11.973 4.357 1.00 35.23 C ATOM 2128 O SER A 126 11.321 13.108 4.840 1.00 73.32 O ATOM 2129 CB SER A 126 12.698 11.692 2.201 1.00 43.21 C ATOM 2130 OG SER A 126 13.805 11.045 1.597 1.00 72.21 O ATOM 0 H SER A 126 12.724 9.436 3.115 1.00 21.30 H new ATOM 0 HA SER A 126 13.492 11.972 4.191 1.00 73.32 H new ATOM 0 HB2 SER A 126 11.773 11.333 1.750 1.00 43.21 H new ATOM 0 HB3 SER A 126 12.751 12.764 2.010 1.00 43.21 H new ATOM 0 HG SER A 126 13.801 11.221 0.633 1.00 72.21 H new ATOM 2136 N LEU A 127 10.292 11.127 4.347 1.00 71.10 N ATOM 2137 CA LEU A 127 8.985 11.441 4.968 1.00 12.33 C ATOM 2138 C LEU A 127 9.126 11.678 6.469 1.00 21.03 C ATOM 2139 O LEU A 127 8.592 12.655 6.997 1.00 35.02 O ATOM 2140 CB LEU A 127 7.955 10.298 4.765 1.00 74.05 C ATOM 2141 CG LEU A 127 7.554 9.943 3.308 1.00 31.55 C ATOM 2142 CD1 LEU A 127 6.545 8.779 3.305 1.00 15.44 C ATOM 2143 CD2 LEU A 127 7.011 11.173 2.551 1.00 32.12 C ATOM 0 H LEU A 127 10.320 10.208 3.906 1.00 71.10 H new ATOM 0 HA LEU A 127 8.630 12.345 4.474 1.00 12.33 H new ATOM 0 HB2 LEU A 127 8.355 9.398 5.232 1.00 74.05 H new ATOM 0 HB3 LEU A 127 7.048 10.563 5.308 1.00 74.05 H new ATOM 0 HG LEU A 127 8.448 9.620 2.775 1.00 31.55 H new ATOM 0 HD11 LEU A 127 6.270 8.538 2.278 1.00 15.44 H new ATOM 0 HD12 LEU A 127 6.996 7.905 3.774 1.00 15.44 H new ATOM 0 HD13 LEU A 127 5.653 9.069 3.860 1.00 15.44 H new ATOM 0 HD21 LEU A 127 6.741 10.885 1.535 1.00 32.12 H new ATOM 0 HD22 LEU A 127 6.130 11.557 3.065 1.00 32.12 H new ATOM 0 HD23 LEU A 127 7.778 11.947 2.517 1.00 32.12 H new ATOM 2155 N GLU A 128 9.832 10.758 7.156 1.00 5.05 N ATOM 2156 CA GLU A 128 9.929 10.791 8.617 1.00 74.30 C ATOM 2157 C GLU A 128 10.857 11.925 9.079 1.00 12.44 C ATOM 2158 O GLU A 128 10.675 12.452 10.174 1.00 73.40 O ATOM 2159 CB GLU A 128 10.314 9.394 9.179 1.00 24.20 C ATOM 2160 CG GLU A 128 11.763 8.885 8.933 1.00 32.45 C ATOM 2161 CD GLU A 128 12.739 9.206 10.083 1.00 33.30 C ATOM 2162 OE1 GLU A 128 12.533 8.686 11.202 1.00 0.42 O ATOM 2163 OE2 GLU A 128 13.695 9.981 9.887 1.00 14.14 O ATOM 0 H GLU A 128 10.339 9.989 6.719 1.00 5.05 H new ATOM 0 HA GLU A 128 8.949 11.020 9.035 1.00 74.30 H new ATOM 0 HB2 GLU A 128 10.143 9.408 10.255 1.00 24.20 H new ATOM 0 HB3 GLU A 128 9.626 8.662 8.756 1.00 24.20 H new ATOM 0 HG2 GLU A 128 11.738 7.806 8.781 1.00 32.45 H new ATOM 0 HG3 GLU A 128 12.142 9.328 8.012 1.00 32.45 H new ATOM 2170 N HIS A 129 11.828 12.319 8.218 1.00 2.14 N ATOM 2171 CA HIS A 129 12.606 13.565 8.411 1.00 0.32 C ATOM 2172 C HIS A 129 11.750 14.788 7.993 1.00 1.44 C ATOM 2173 O HIS A 129 11.916 15.345 6.901 1.00 61.42 O ATOM 2174 CB HIS A 129 13.956 13.553 7.628 1.00 73.33 C ATOM 2175 CG HIS A 129 14.998 12.604 8.164 1.00 40.44 C ATOM 2176 ND1 HIS A 129 15.668 12.815 9.344 1.00 34.13 N ATOM 2177 CD2 HIS A 129 15.508 11.462 7.654 1.00 14.34 C ATOM 2178 CE1 HIS A 129 16.525 11.839 9.544 1.00 70.51 C ATOM 2179 NE2 HIS A 129 16.450 11.005 8.530 1.00 62.13 N ATOM 0 H HIS A 129 12.090 11.792 7.385 1.00 2.14 H new ATOM 0 HA HIS A 129 12.855 13.635 9.470 1.00 0.32 H new ATOM 0 HB2 HIS A 129 13.753 13.296 6.588 1.00 73.33 H new ATOM 0 HB3 HIS A 129 14.369 14.562 7.632 1.00 73.33 H new ATOM 0 HD1 HIS A 129 15.523 13.608 9.969 1.00 34.13 H new ATOM 0 HD2 HIS A 129 15.223 10.995 6.723 1.00 14.34 H new ATOM 0 HE1 HIS A 129 17.180 11.739 10.397 1.00 70.51 H new ATOM 2188 N HIS A 130 10.794 15.159 8.862 1.00 13.33 N ATOM 2189 CA HIS A 130 9.903 16.329 8.687 1.00 70.32 C ATOM 2190 C HIS A 130 9.728 17.033 10.046 1.00 54.34 C ATOM 2191 O HIS A 130 9.849 16.388 11.091 1.00 1.53 O ATOM 2192 CB HIS A 130 8.512 15.906 8.099 1.00 40.42 C ATOM 2193 CG HIS A 130 8.438 15.841 6.584 1.00 44.22 C ATOM 2194 ND1 HIS A 130 9.287 15.079 5.808 1.00 2.31 N ATOM 2195 CD2 HIS A 130 7.599 16.450 5.708 1.00 70.10 C ATOM 2196 CE1 HIS A 130 8.968 15.216 4.539 1.00 25.24 C ATOM 2197 NE2 HIS A 130 7.957 16.046 4.451 1.00 20.11 N ATOM 0 H HIS A 130 10.612 14.646 9.725 1.00 13.33 H new ATOM 0 HA HIS A 130 10.358 17.016 7.974 1.00 70.32 H new ATOM 0 HB2 HIS A 130 8.249 14.928 8.501 1.00 40.42 H new ATOM 0 HB3 HIS A 130 7.758 16.609 8.453 1.00 40.42 H new ATOM 0 HD2 HIS A 130 6.797 17.129 5.957 1.00 70.10 H new ATOM 0 HE1 HIS A 130 9.457 14.727 3.709 1.00 25.24 H new ATOM 0 HE2 HIS A 130 7.509 16.343 3.584 1.00 20.11 H new ATOM 2206 N HIS A 131 9.446 18.359 9.999 1.00 42.12 N ATOM 2207 CA HIS A 131 9.266 19.233 11.193 1.00 5.25 C ATOM 2208 C HIS A 131 10.602 19.390 11.958 1.00 42.12 C ATOM 2209 O HIS A 131 10.615 19.629 13.171 1.00 1.34 O ATOM 2210 CB HIS A 131 8.131 18.712 12.135 1.00 71.35 C ATOM 2211 CG HIS A 131 6.744 18.707 11.533 1.00 72.13 C ATOM 2212 ND1 HIS A 131 6.244 18.073 10.443 1.00 33.24 N flip ATOM 2213 CD2 HIS A 131 5.687 19.385 12.088 1.00 43.15 C flip ATOM 2214 CE1 HIS A 131 4.915 18.374 10.371 1.00 43.24 C flip ATOM 2215 NE2 HIS A 131 4.605 19.167 11.377 1.00 41.23 N flip ATOM 0 H HIS A 131 9.335 18.862 9.119 1.00 42.12 H new ATOM 0 HA HIS A 131 8.955 20.216 10.838 1.00 5.25 H new ATOM 0 HB2 HIS A 131 8.378 17.697 12.447 1.00 71.35 H new ATOM 0 HB3 HIS A 131 8.117 19.327 13.035 1.00 71.35 H new ATOM 0 HD2 HIS A 131 5.738 20.002 12.973 1.00 43.15 H new ATOM 0 HE1 HIS A 131 4.230 18.021 9.614 1.00 43.24 H new ATOM 0 HE2 HIS A 131 3.679 19.548 11.571 1.00 41.23 H new ATOM 2224 N HIS A 132 11.713 19.299 11.197 1.00 43.35 N ATOM 2225 CA HIS A 132 13.093 19.253 11.720 1.00 30.44 C ATOM 2226 C HIS A 132 13.283 18.016 12.631 1.00 12.13 C ATOM 2227 O HIS A 132 13.750 18.105 13.773 1.00 30.30 O ATOM 2228 CB HIS A 132 13.511 20.599 12.405 1.00 14.42 C ATOM 2229 CG HIS A 132 15.007 20.740 12.631 1.00 3.55 C ATOM 2230 ND1 HIS A 132 15.863 21.219 11.666 1.00 30.04 N ATOM 2231 CD2 HIS A 132 15.785 20.429 13.692 1.00 45.44 C ATOM 2232 CE1 HIS A 132 17.095 21.189 12.121 1.00 65.23 C ATOM 2233 NE2 HIS A 132 17.077 20.711 13.350 1.00 52.11 N ATOM 0 H HIS A 132 11.673 19.255 10.179 1.00 43.35 H new ATOM 0 HA HIS A 132 13.776 19.139 10.878 1.00 30.44 H new ATOM 0 HB2 HIS A 132 13.167 21.430 11.789 1.00 14.42 H new ATOM 0 HB3 HIS A 132 13.000 20.680 13.364 1.00 14.42 H new ATOM 0 HD2 HIS A 132 15.447 20.030 14.637 1.00 45.44 H new ATOM 0 HE1 HIS A 132 17.975 21.503 11.579 1.00 65.23 H new ATOM 0 HE2 HIS A 132 17.893 20.574 13.947 1.00 52.11 H new ATOM 2242 N HIS A 133 12.873 16.854 12.102 1.00 22.01 N ATOM 2243 CA HIS A 133 13.107 15.553 12.737 1.00 1.51 C ATOM 2244 C HIS A 133 14.565 15.154 12.486 1.00 64.14 C ATOM 2245 O HIS A 133 14.938 14.836 11.350 1.00 73.13 O ATOM 2246 CB HIS A 133 12.123 14.501 12.170 1.00 52.43 C ATOM 2247 CG HIS A 133 12.283 13.082 12.678 1.00 62.23 C ATOM 2248 ND1 HIS A 133 11.428 12.518 13.594 1.00 32.41 N ATOM 2249 CD2 HIS A 133 13.150 12.100 12.330 1.00 65.33 C ATOM 2250 CE1 HIS A 133 11.745 11.255 13.770 1.00 53.33 C ATOM 2251 NE2 HIS A 133 12.790 10.977 13.020 1.00 3.10 N ATOM 0 H HIS A 133 12.368 16.792 11.218 1.00 22.01 H new ATOM 0 HA HIS A 133 12.933 15.612 13.811 1.00 1.51 H new ATOM 0 HB2 HIS A 133 11.108 14.830 12.391 1.00 52.43 H new ATOM 0 HB3 HIS A 133 12.225 14.488 11.085 1.00 52.43 H new ATOM 0 HD2 HIS A 133 13.973 12.189 11.636 1.00 65.33 H new ATOM 0 HE1 HIS A 133 11.234 10.561 14.421 1.00 53.33 H new ATOM 0 HE2 HIS A 133 13.255 10.071 12.963 1.00 3.10 H new ATOM 2260 N HIS A 134 15.380 15.233 13.540 1.00 12.14 N ATOM 2261 CA HIS A 134 16.797 14.848 13.496 1.00 15.25 C ATOM 2262 C HIS A 134 16.925 13.309 13.675 1.00 22.31 C ATOM 2263 O HIS A 134 16.976 12.831 14.823 1.00 72.12 O ATOM 2264 CB HIS A 134 17.578 15.648 14.575 1.00 4.41 C ATOM 2265 CG HIS A 134 19.042 15.293 14.694 1.00 1.40 C ATOM 2266 ND1 HIS A 134 19.593 14.751 15.835 1.00 75.10 N ATOM 2267 CD2 HIS A 134 20.059 15.407 13.810 1.00 75.41 C ATOM 2268 CE1 HIS A 134 20.880 14.549 15.648 1.00 54.35 C ATOM 2269 NE2 HIS A 134 21.186 14.935 14.427 1.00 35.25 N ATOM 2270 OXT HIS A 134 16.925 12.587 12.657 1.00 37.69 O ATOM 0 H HIS A 134 15.076 15.567 14.454 1.00 12.14 H new ATOM 0 HA HIS A 134 17.235 15.093 12.528 1.00 15.25 H new ATOM 0 HB2 HIS A 134 17.494 16.711 14.350 1.00 4.41 H new ATOM 0 HB3 HIS A 134 17.100 15.488 15.542 1.00 4.41 H new ATOM 0 HD2 HIS A 134 19.994 15.797 12.805 1.00 75.41 H new ATOM 0 HE1 HIS A 134 21.567 14.137 16.372 1.00 54.35 H new ATOM 0 HE2 HIS A 134 22.115 14.890 14.008 1.00 35.25 H new TER 2279 HIS A 134