USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 751 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 76 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 72 SER OG : rot 150:sc= 0.817 USER MOD Set 2.2: A 94 TYR OH : rot -10:sc= 1.84 USER MOD Set 3.1: A 32 GLN : amide:sc= -0.578 K(o=-0.62,f=-1.2) USER MOD Set 3.2: A 117 SER OG : rot -93:sc= -0.0469 USER MOD Single : A 38 ASN : amide:sc= 0.282 K(o=0.28,f=-0.54) USER MOD Single : A 41 GLN : amide:sc= -0.463 K(o=-0.46,f=-1.8) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.233 K(o=-0.23,f=-0.92) USER MOD Single : A 50 THR OG1 : rot -66:sc= 0.685 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 1.16 K(o=1.2,f=-4.9!) USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 0.811 (180deg=0.769) USER MOD Single : A 61 ASN : amide:sc= -0.218 K(o=-0.22,f=-4.3!) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.131) USER MOD Single : A 69 CYS SG : rot -79:sc= 0.62 USER MOD Single : A 70 THR OG1 : rot -101:sc= -0.453! USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= -0.0205 (180deg=-0.173) USER MOD Single : A 85 SER OG : rot 110:sc= 1.26 USER MOD Single : A 87 ASN : amide:sc= -0.019 X(o=-0.019,f=-0.011) USER MOD Single : A 89 ASN : amide:sc= -1.71! C(o=-1.7!,f=-8.3!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 106:sc= 0.987 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.04 K(o=-1,f=-0.44) USER MOD Single : A 100 MET CE :methyl 158:sc= -0.117 (180deg=-0.739) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.84! USER MOD Single : A 103 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -2.88 K(o=-2.9,f=-0.43) USER MOD Single : A 109 MET CE :methyl 165:sc= -1.59 (180deg=-2.64!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -136:sc= 1.16 (180deg=0.0503) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.612 USER MOD Single : A 123 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0927) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -6.831 -3.018 11.032 1.00 1.27 N ATOM 31 CA PHE A 28 -6.063 -2.269 10.047 1.00 1.21 C ATOM 32 C PHE A 28 -5.468 -3.217 9.014 1.00 0.94 C ATOM 33 O PHE A 28 -5.358 -4.422 9.255 1.00 0.94 O ATOM 34 CB PHE A 28 -4.953 -1.448 10.720 1.00 1.52 C ATOM 35 CG PHE A 28 -3.914 -2.273 11.428 1.00 1.96 C ATOM 36 CD1 PHE A 28 -2.740 -2.632 10.786 1.00 2.75 C ATOM 37 CD2 PHE A 28 -4.116 -2.695 12.733 1.00 2.12 C ATOM 38 CE1 PHE A 28 -1.788 -3.395 11.431 1.00 3.75 C ATOM 39 CE2 PHE A 28 -3.167 -3.457 13.384 1.00 2.99 C ATOM 40 CZ PHE A 28 -1.988 -3.785 12.737 1.00 3.85 C ATOM 0 HA PHE A 28 -6.738 -1.576 9.545 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -4.461 -0.836 9.964 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -5.407 -0.764 11.437 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -2.568 -2.311 9.769 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -5.027 -2.424 13.246 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -0.887 -3.686 10.912 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -3.344 -3.796 14.394 1.00 2.99 H new ATOM 0 HZ PHE A 28 -1.225 -4.346 13.256 1.00 3.85 H new ATOM 50 N GLY A 29 -5.065 -2.671 7.881 1.00 0.85 N ATOM 51 CA GLY A 29 -4.567 -3.497 6.805 1.00 0.73 C ATOM 52 C GLY A 29 -3.061 -3.451 6.683 1.00 0.63 C ATOM 53 O GLY A 29 -2.479 -2.390 6.478 1.00 0.69 O ATOM 0 H GLY A 29 -5.074 -1.670 7.686 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -4.883 -4.527 6.967 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -5.014 -3.171 5.866 1.00 0.73 H new ATOM 57 N ALA A 30 -2.436 -4.607 6.835 1.00 0.66 N ATOM 58 CA ALA A 30 -1.004 -4.742 6.635 1.00 0.59 C ATOM 59 C ALA A 30 -0.744 -5.438 5.307 1.00 0.56 C ATOM 60 O ALA A 30 -1.299 -6.505 5.041 1.00 0.65 O ATOM 61 CB ALA A 30 -0.379 -5.520 7.782 1.00 0.71 C ATOM 0 H ALA A 30 -2.905 -5.474 7.099 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.548 -3.752 6.613 1.00 0.59 H new ATOM 0 HB1 ALA A 30 0.694 -5.612 7.617 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -0.558 -4.993 8.719 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -0.825 -6.513 7.833 1.00 0.71 H new ATOM 67 N ILE A 31 0.064 -4.815 4.465 1.00 0.49 N ATOM 68 CA ILE A 31 0.343 -5.328 3.133 1.00 0.53 C ATOM 69 C ILE A 31 1.856 -5.397 2.911 1.00 0.43 C ATOM 70 O ILE A 31 2.610 -4.641 3.519 1.00 0.49 O ATOM 71 CB ILE A 31 -0.214 -4.548 2.196 1.00 0.62 C ATOM 72 CG1 ILE A 31 -1.704 -4.323 2.474 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.029 -5.134 0.799 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.363 -3.341 1.526 1.00 0.96 C ATOM 0 H ILE A 31 0.544 -3.942 4.684 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.085 -6.327 3.052 1.00 0.53 H new ATOM 0 HB ILE A 31 0.297 -3.586 2.237 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.224 -5.279 2.411 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -1.823 -3.962 3.496 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.493 -4.476 0.064 1.00 1.08 H new ATOM 0 HG22 ILE A 31 1.035 -5.228 0.582 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -0.497 -6.117 0.752 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.416 -3.235 1.786 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -1.870 -2.372 1.605 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.277 -3.709 0.504 1.00 0.96 H new ATOM 86 N GLN A 32 2.306 -6.347 2.113 1.00 0.39 N ATOM 87 CA GLN A 32 3.695 -6.388 1.696 1.00 0.34 C ATOM 88 C GLN A 32 3.773 -6.096 0.205 1.00 0.33 C ATOM 89 O GLN A 32 2.979 -6.625 -0.574 1.00 0.36 O ATOM 90 CB GLN A 32 4.324 -7.751 2.014 1.00 0.37 C ATOM 91 CG GLN A 32 5.815 -7.831 1.712 1.00 0.53 C ATOM 92 CD GLN A 32 6.422 -9.151 2.143 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.745 -10.180 2.176 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.704 -9.138 2.462 1.00 0.86 N ATOM 0 H GLN A 32 1.729 -7.101 1.740 1.00 0.39 H new ATOM 0 HA GLN A 32 4.256 -5.632 2.245 1.00 0.34 H new ATOM 0 HB2 GLN A 32 4.165 -7.976 3.069 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.806 -8.521 1.442 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.974 -7.693 0.643 1.00 0.53 H new ATOM 0 HG3 GLN A 32 6.330 -7.015 2.219 1.00 0.53 H new ATOM 0 HE21 GLN A 32 8.231 -8.265 2.422 1.00 0.86 H new ATOM 0 HE22 GLN A 32 8.167 -10.001 2.748 1.00 0.86 H new ATOM 103 N LEU A 33 4.703 -5.240 -0.190 1.00 0.38 N ATOM 104 CA LEU A 33 4.885 -4.924 -1.601 1.00 0.41 C ATOM 105 C LEU A 33 6.365 -4.825 -1.928 1.00 0.33 C ATOM 106 O LEU A 33 7.164 -4.521 -1.056 1.00 0.36 O ATOM 107 CB LEU A 33 4.172 -3.622 -2.009 1.00 0.56 C ATOM 108 CG LEU A 33 4.799 -2.304 -1.528 1.00 0.91 C ATOM 109 CD1 LEU A 33 4.127 -1.127 -2.216 1.00 1.24 C ATOM 110 CD2 LEU A 33 4.683 -2.152 -0.019 1.00 1.62 C ATOM 0 H LEU A 33 5.340 -4.754 0.441 1.00 0.38 H new ATOM 0 HA LEU A 33 4.433 -5.736 -2.171 1.00 0.41 H new ATOM 0 HB2 LEU A 33 4.116 -3.593 -3.097 1.00 0.56 H new ATOM 0 HB3 LEU A 33 3.148 -3.666 -1.638 1.00 0.56 H new ATOM 0 HG LEU A 33 5.858 -2.323 -1.787 1.00 0.91 H new ATOM 0 HD11 LEU A 33 4.578 -0.197 -1.869 1.00 1.24 H new ATOM 0 HD12 LEU A 33 4.257 -1.213 -3.295 1.00 1.24 H new ATOM 0 HD13 LEU A 33 3.063 -1.125 -1.978 1.00 1.24 H new ATOM 0 HD21 LEU A 33 5.136 -1.209 0.288 1.00 1.62 H new ATOM 0 HD22 LEU A 33 3.631 -2.159 0.268 1.00 1.62 H new ATOM 0 HD23 LEU A 33 5.198 -2.978 0.471 1.00 1.62 H new ATOM 122 N ASP A 34 6.734 -5.081 -3.174 1.00 0.33 N ATOM 123 CA ASP A 34 8.134 -4.971 -3.574 1.00 0.34 C ATOM 124 C ASP A 34 8.364 -3.695 -4.370 1.00 0.40 C ATOM 125 O ASP A 34 7.411 -3.018 -4.758 1.00 0.43 O ATOM 126 CB ASP A 34 8.640 -6.207 -4.344 1.00 0.38 C ATOM 127 CG ASP A 34 8.026 -6.409 -5.719 1.00 0.51 C ATOM 128 OD1 ASP A 34 8.021 -5.461 -6.536 1.00 0.89 O ATOM 129 OD2 ASP A 34 7.599 -7.546 -6.007 1.00 1.22 O ATOM 0 H ASP A 34 6.096 -5.363 -3.918 1.00 0.33 H new ATOM 0 HA ASP A 34 8.721 -4.924 -2.657 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.722 -6.128 -4.455 1.00 0.38 H new ATOM 0 HB3 ASP A 34 8.445 -7.095 -3.743 1.00 0.38 H new ATOM 134 N GLY A 35 9.636 -3.367 -4.578 1.00 0.47 N ATOM 135 CA GLY A 35 10.024 -2.094 -5.174 1.00 0.57 C ATOM 136 C GLY A 35 9.431 -1.816 -6.550 1.00 0.64 C ATOM 137 O GLY A 35 9.476 -0.679 -7.020 1.00 0.79 O ATOM 0 H GLY A 35 10.422 -3.972 -4.340 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.729 -1.290 -4.499 1.00 0.57 H new ATOM 0 HA3 GLY A 35 11.111 -2.063 -5.251 1.00 0.57 H new ATOM 141 N ASP A 36 8.880 -2.828 -7.204 1.00 0.58 N ATOM 142 CA ASP A 36 8.290 -2.634 -8.521 1.00 0.66 C ATOM 143 C ASP A 36 6.815 -2.272 -8.394 1.00 0.61 C ATOM 144 O ASP A 36 6.215 -1.725 -9.322 1.00 0.78 O ATOM 145 CB ASP A 36 8.455 -3.889 -9.380 1.00 0.69 C ATOM 146 CG ASP A 36 8.024 -3.675 -10.818 1.00 1.21 C ATOM 147 OD1 ASP A 36 6.983 -4.225 -11.224 1.00 1.95 O ATOM 148 OD2 ASP A 36 8.733 -2.962 -11.556 1.00 1.56 O ATOM 0 H ASP A 36 8.829 -3.783 -6.849 1.00 0.58 H new ATOM 0 HA ASP A 36 8.812 -1.812 -9.010 1.00 0.66 H new ATOM 0 HB2 ASP A 36 9.499 -4.203 -9.361 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.870 -4.700 -8.947 1.00 0.69 H new ATOM 153 N GLY A 37 6.241 -2.552 -7.231 1.00 0.51 N ATOM 154 CA GLY A 37 4.840 -2.270 -7.013 1.00 0.53 C ATOM 155 C GLY A 37 4.022 -3.533 -6.882 1.00 0.47 C ATOM 156 O GLY A 37 2.796 -3.477 -6.776 1.00 0.53 O ATOM 0 H GLY A 37 6.723 -2.970 -6.435 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.727 -1.670 -6.110 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.457 -1.674 -7.842 1.00 0.53 H new ATOM 160 N ASN A 38 4.700 -4.674 -6.895 1.00 0.40 N ATOM 161 CA ASN A 38 4.027 -5.962 -6.780 1.00 0.39 C ATOM 162 C ASN A 38 3.505 -6.172 -5.376 1.00 0.34 C ATOM 163 O ASN A 38 4.186 -5.862 -4.399 1.00 0.40 O ATOM 164 CB ASN A 38 4.964 -7.111 -7.123 1.00 0.44 C ATOM 165 CG ASN A 38 5.358 -7.149 -8.582 1.00 0.70 C ATOM 166 OD1 ASN A 38 4.564 -6.835 -9.469 1.00 1.30 O ATOM 167 ND2 ASN A 38 6.601 -7.518 -8.838 1.00 1.24 N ATOM 0 H ASN A 38 5.714 -4.734 -6.984 1.00 0.40 H new ATOM 0 HA ASN A 38 3.197 -5.950 -7.487 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.864 -7.031 -6.513 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.483 -8.053 -6.859 1.00 0.44 H new ATOM 0 HD21 ASN A 38 6.935 -7.551 -9.801 1.00 1.24 H new ATOM 0 HD22 ASN A 38 7.226 -7.770 -8.072 1.00 1.24 H new ATOM 174 N ILE A 39 2.301 -6.701 -5.280 1.00 0.32 N ATOM 175 CA ILE A 39 1.721 -7.035 -3.999 1.00 0.32 C ATOM 176 C ILE A 39 2.130 -8.451 -3.603 1.00 0.36 C ATOM 177 O ILE A 39 2.346 -9.308 -4.466 1.00 0.41 O ATOM 178 CB ILE A 39 0.398 -6.939 -4.017 1.00 0.37 C ATOM 179 CG1 ILE A 39 -0.045 -5.661 -4.733 1.00 0.41 C ATOM 180 CG2 ILE A 39 -0.162 -6.967 -2.596 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.547 -5.507 -4.838 1.00 0.89 C ATOM 0 H ILE A 39 1.704 -6.909 -6.081 1.00 0.32 H new ATOM 0 HA ILE A 39 2.096 -6.321 -3.266 1.00 0.32 H new ATOM 0 HB ILE A 39 0.005 -7.796 -4.565 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.363 -4.800 -4.204 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.383 -5.651 -5.736 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.248 -6.887 -2.631 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.117 -7.903 -2.113 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.245 -6.130 -2.028 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.782 -4.578 -5.357 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.961 -6.348 -5.394 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.981 -5.484 -3.838 1.00 0.89 H new ATOM 193 N LEU A 40 2.337 -8.654 -2.311 1.00 0.40 N ATOM 194 CA LEU A 40 2.685 -9.955 -1.768 1.00 0.49 C ATOM 195 C LEU A 40 1.472 -10.598 -1.132 1.00 0.56 C ATOM 196 O LEU A 40 1.000 -11.646 -1.565 1.00 0.73 O ATOM 197 CB LEU A 40 3.774 -9.792 -0.712 1.00 0.55 C ATOM 198 CG LEU A 40 5.204 -9.620 -1.247 1.00 0.59 C ATOM 199 CD1 LEU A 40 5.671 -10.890 -1.943 1.00 1.39 C ATOM 200 CD2 LEU A 40 5.308 -8.433 -2.196 1.00 1.45 C ATOM 0 H LEU A 40 2.268 -7.918 -1.609 1.00 0.40 H new ATOM 0 HA LEU A 40 3.044 -10.589 -2.578 1.00 0.49 H new ATOM 0 HB2 LEU A 40 3.530 -8.926 -0.096 1.00 0.55 H new ATOM 0 HB3 LEU A 40 3.753 -10.664 -0.058 1.00 0.55 H new ATOM 0 HG LEU A 40 5.852 -9.425 -0.393 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.686 -10.749 -2.315 1.00 1.39 H new ATOM 0 HD12 LEU A 40 5.656 -11.719 -1.236 1.00 1.39 H new ATOM 0 HD13 LEU A 40 5.006 -11.113 -2.778 1.00 1.39 H new ATOM 0 HD21 LEU A 40 6.333 -8.342 -2.554 1.00 1.45 H new ATOM 0 HD22 LEU A 40 4.640 -8.585 -3.043 1.00 1.45 H new ATOM 0 HD23 LEU A 40 5.025 -7.521 -1.670 1.00 1.45 H new ATOM 212 N GLN A 41 0.983 -9.956 -0.091 1.00 0.59 N ATOM 213 CA GLN A 41 -0.151 -10.453 0.646 1.00 0.73 C ATOM 214 C GLN A 41 -0.797 -9.339 1.444 1.00 0.61 C ATOM 215 O GLN A 41 -0.261 -8.234 1.547 1.00 0.60 O ATOM 216 CB GLN A 41 0.262 -11.620 1.566 1.00 0.99 C ATOM 217 CG GLN A 41 1.580 -11.423 2.314 1.00 0.88 C ATOM 218 CD GLN A 41 1.521 -10.352 3.388 1.00 1.20 C ATOM 219 OE1 GLN A 41 1.795 -9.184 3.132 1.00 1.99 O ATOM 220 NE2 GLN A 41 1.173 -10.748 4.599 1.00 1.30 N ATOM 0 H GLN A 41 1.362 -9.078 0.264 1.00 0.59 H new ATOM 0 HA GLN A 41 -0.884 -10.830 -0.067 1.00 0.73 H new ATOM 0 HB2 GLN A 41 -0.531 -11.784 2.296 1.00 0.99 H new ATOM 0 HB3 GLN A 41 0.335 -12.527 0.966 1.00 0.99 H new ATOM 0 HG2 GLN A 41 1.872 -12.368 2.772 1.00 0.88 H new ATOM 0 HG3 GLN A 41 2.359 -11.163 1.597 1.00 0.88 H new ATOM 0 HE21 GLN A 41 0.953 -11.729 4.771 1.00 1.30 H new ATOM 0 HE22 GLN A 41 1.125 -10.073 5.362 1.00 1.30 H new ATOM 229 N TYR A 42 -1.959 -9.637 1.977 1.00 0.68 N ATOM 230 CA TYR A 42 -2.661 -8.728 2.869 1.00 0.69 C ATOM 231 C TYR A 42 -2.726 -9.337 4.260 1.00 0.78 C ATOM 232 O TYR A 42 -2.317 -10.478 4.469 1.00 1.25 O ATOM 233 CB TYR A 42 -4.091 -8.433 2.382 1.00 0.78 C ATOM 234 CG TYR A 42 -4.189 -7.470 1.212 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.385 -6.818 0.939 1.00 0.83 C ATOM 236 CD2 TYR A 42 -3.098 -7.193 0.400 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.492 -5.922 -0.105 1.00 0.80 C ATOM 238 CE2 TYR A 42 -3.198 -6.300 -0.651 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.396 -5.666 -0.898 1.00 0.63 C ATOM 240 OH TYR A 42 -4.498 -4.778 -1.944 1.00 0.71 O ATOM 0 H TYR A 42 -2.449 -10.515 1.808 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.110 -7.788 2.885 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -4.562 -9.374 2.098 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.665 -8.027 3.215 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -6.249 -7.016 1.556 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -2.155 -7.683 0.592 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.431 -5.424 -0.299 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -2.340 -6.100 -1.276 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.634 -4.711 -2.402 1.00 0.71 H new ATOM 250 N ASN A 43 -3.266 -8.581 5.199 1.00 0.89 N ATOM 251 CA ASN A 43 -3.418 -9.045 6.576 1.00 0.95 C ATOM 252 C ASN A 43 -4.755 -9.751 6.745 1.00 1.08 C ATOM 253 O ASN A 43 -5.154 -10.120 7.849 1.00 1.63 O ATOM 254 CB ASN A 43 -3.333 -7.850 7.525 1.00 0.96 C ATOM 255 CG ASN A 43 -3.289 -8.243 8.990 1.00 1.38 C ATOM 256 OD1 ASN A 43 -2.754 -9.290 9.349 1.00 2.13 O ATOM 257 ND2 ASN A 43 -3.850 -7.401 9.846 1.00 1.66 N ATOM 0 H ASN A 43 -3.611 -7.635 5.036 1.00 0.89 H new ATOM 0 HA ASN A 43 -2.620 -9.750 6.810 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -2.442 -7.269 7.286 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -4.192 -7.201 7.357 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -3.848 -7.612 10.844 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -4.284 -6.542 9.507 1.00 1.66 H new ATOM 264 N ALA A 44 -5.444 -9.899 5.616 1.00 1.12 N ATOM 265 CA ALA A 44 -6.794 -10.477 5.545 1.00 1.23 C ATOM 266 C ALA A 44 -7.828 -9.519 6.134 1.00 1.22 C ATOM 267 O ALA A 44 -9.024 -9.652 5.896 1.00 1.39 O ATOM 268 CB ALA A 44 -6.855 -11.838 6.230 1.00 1.48 C ATOM 0 H ALA A 44 -5.078 -9.617 4.706 1.00 1.12 H new ATOM 0 HA ALA A 44 -7.034 -10.629 4.493 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -7.867 -12.236 6.159 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -6.161 -12.522 5.742 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -6.581 -11.730 7.279 1.00 1.48 H new ATOM 274 N ALA A 45 -7.340 -8.534 6.871 1.00 1.21 N ATOM 275 CA ALA A 45 -8.172 -7.524 7.503 1.00 1.34 C ATOM 276 C ALA A 45 -8.971 -6.728 6.481 1.00 1.26 C ATOM 277 O ALA A 45 -10.085 -6.286 6.753 1.00 1.38 O ATOM 278 CB ALA A 45 -7.290 -6.590 8.302 1.00 1.52 C ATOM 0 H ALA A 45 -6.343 -8.412 7.049 1.00 1.21 H new ATOM 0 HA ALA A 45 -8.885 -8.027 8.156 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -7.906 -5.828 8.780 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -6.757 -7.157 9.065 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -6.571 -6.111 7.637 1.00 1.52 H new ATOM 284 N GLU A 46 -8.395 -6.541 5.306 1.00 1.18 N ATOM 285 CA GLU A 46 -9.052 -5.778 4.259 1.00 1.23 C ATOM 286 C GLU A 46 -10.109 -6.640 3.568 1.00 1.20 C ATOM 287 O GLU A 46 -10.977 -6.142 2.854 1.00 1.42 O ATOM 288 CB GLU A 46 -8.011 -5.265 3.264 1.00 1.27 C ATOM 289 CG GLU A 46 -8.557 -4.268 2.258 1.00 1.10 C ATOM 290 CD GLU A 46 -9.272 -3.099 2.914 1.00 1.31 C ATOM 291 OE1 GLU A 46 -10.486 -3.210 3.209 1.00 2.12 O ATOM 292 OE2 GLU A 46 -8.562 -1.862 3.196 1.00 1.31 O ATOM 0 H GLU A 46 -7.477 -6.906 5.053 1.00 1.18 H new ATOM 0 HA GLU A 46 -9.557 -4.917 4.696 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -7.195 -4.799 3.816 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -7.588 -6.114 2.726 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -7.737 -3.890 1.647 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -9.247 -4.778 1.586 1.00 1.10 H new ATOM 300 N GLY A 47 -10.036 -7.942 3.804 1.00 1.08 N ATOM 301 CA GLY A 47 -11.051 -8.846 3.303 1.00 1.18 C ATOM 302 C GLY A 47 -12.371 -8.655 4.027 1.00 1.25 C ATOM 303 O GLY A 47 -13.422 -9.088 3.550 1.00 1.42 O ATOM 0 H GLY A 47 -9.289 -8.390 4.335 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -11.193 -8.680 2.235 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -10.714 -9.876 3.423 1.00 1.18 H new ATOM 307 N ASP A 48 -12.309 -8.015 5.189 1.00 1.26 N ATOM 308 CA ASP A 48 -13.503 -7.680 5.957 1.00 1.49 C ATOM 309 C ASP A 48 -14.349 -6.653 5.221 1.00 1.53 C ATOM 310 O ASP A 48 -15.548 -6.852 5.013 1.00 1.74 O ATOM 311 CB ASP A 48 -13.127 -7.108 7.326 1.00 1.72 C ATOM 312 CG ASP A 48 -12.738 -8.160 8.343 1.00 2.01 C ATOM 313 OD1 ASP A 48 -13.618 -8.638 9.089 1.00 2.28 O ATOM 314 OD2 ASP A 48 -11.553 -8.554 8.363 1.00 2.35 O ATOM 0 H ASP A 48 -11.436 -7.715 5.623 1.00 1.26 H new ATOM 0 HA ASP A 48 -14.073 -8.600 6.087 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -12.298 -6.411 7.203 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -13.970 -6.535 7.714 1.00 1.72 H new ATOM 319 N ILE A 49 -13.717 -5.558 4.821 1.00 1.50 N ATOM 320 CA ILE A 49 -14.441 -4.419 4.283 1.00 1.74 C ATOM 321 C ILE A 49 -14.741 -4.589 2.795 1.00 1.73 C ATOM 322 O ILE A 49 -15.893 -4.810 2.419 1.00 2.08 O ATOM 323 CB ILE A 49 -13.786 -3.286 4.485 1.00 1.98 C ATOM 324 CG1 ILE A 49 -13.383 -3.153 5.951 1.00 2.10 C ATOM 325 CG2 ILE A 49 -14.628 -2.089 4.044 1.00 2.43 C ATOM 326 CD1 ILE A 49 -12.694 -1.846 6.283 1.00 2.59 C ATOM 0 H ILE A 49 -12.705 -5.436 4.860 1.00 1.50 H new ATOM 0 HA ILE A 49 -15.388 -4.372 4.820 1.00 1.74 H new ATOM 0 HB ILE A 49 -12.878 -3.303 3.882 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -14.273 -3.251 6.572 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -12.720 -3.978 6.211 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -14.071 -1.168 4.219 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -14.859 -2.178 2.982 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -15.556 -2.066 4.616 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -12.439 -1.828 7.343 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -11.784 -1.753 5.689 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -13.362 -1.015 6.056 1.00 2.59 H new ATOM 338 N THR A 50 -13.717 -4.476 1.948 1.00 1.71 N ATOM 339 CA THR A 50 -13.917 -4.550 0.502 1.00 1.95 C ATOM 340 C THR A 50 -12.569 -4.548 -0.244 1.00 1.90 C ATOM 341 O THR A 50 -12.385 -3.875 -1.264 1.00 2.37 O ATOM 342 CB THR A 50 -14.705 -3.550 0.086 1.00 2.44 C ATOM 343 OG1 THR A 50 -15.009 -3.679 -1.314 1.00 3.41 O ATOM 344 CG2 THR A 50 -14.095 -2.177 0.366 1.00 2.45 C ATOM 0 H THR A 50 -12.749 -4.334 2.236 1.00 1.71 H new ATOM 0 HA THR A 50 -14.416 -5.491 0.273 1.00 1.95 H new ATOM 0 HB THR A 50 -15.630 -3.624 0.658 1.00 2.44 H new ATOM 0 HG1 THR A 50 -14.191 -3.557 -1.839 1.00 3.41 H new ATOM 0 HG21 THR A 50 -14.771 -1.399 0.011 1.00 2.45 H new ATOM 0 HG22 THR A 50 -13.939 -2.060 1.438 1.00 2.45 H new ATOM 0 HG23 THR A 50 -13.139 -2.091 -0.151 1.00 2.45 H new ATOM 352 N GLY A 51 -11.618 -5.313 0.269 1.00 1.87 N ATOM 353 CA GLY A 51 -10.294 -5.319 -0.313 1.00 2.32 C ATOM 354 C GLY A 51 -9.958 -6.601 -1.047 1.00 1.77 C ATOM 355 O GLY A 51 -10.634 -6.978 -2.003 1.00 2.08 O ATOM 0 H GLY A 51 -11.739 -5.927 1.074 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -10.207 -4.481 -1.005 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -9.559 -5.159 0.476 1.00 2.32 H new ATOM 359 N ARG A 52 -8.909 -7.275 -0.590 1.00 1.46 N ATOM 360 CA ARG A 52 -8.361 -8.427 -1.296 1.00 1.09 C ATOM 361 C ARG A 52 -7.969 -9.539 -0.332 1.00 1.03 C ATOM 362 O ARG A 52 -7.658 -9.281 0.835 1.00 1.29 O ATOM 363 CB ARG A 52 -7.099 -8.016 -2.059 1.00 1.22 C ATOM 364 CG ARG A 52 -7.321 -7.073 -3.233 1.00 1.55 C ATOM 365 CD ARG A 52 -8.046 -7.763 -4.376 1.00 1.67 C ATOM 366 NE ARG A 52 -7.738 -7.147 -5.669 1.00 1.96 N ATOM 367 CZ ARG A 52 -8.288 -7.528 -6.822 1.00 2.47 C ATOM 368 NH1 ARG A 52 -9.219 -8.476 -6.834 1.00 2.72 N ATOM 369 NH2 ARG A 52 -7.901 -6.972 -7.964 1.00 3.14 N ATOM 0 H ARG A 52 -8.418 -7.041 0.273 1.00 1.46 H new ATOM 0 HA ARG A 52 -9.135 -8.787 -1.974 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -6.411 -7.541 -1.359 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -6.608 -8.917 -2.427 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -7.899 -6.210 -2.903 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -6.360 -6.697 -3.585 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -7.767 -8.816 -4.400 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -9.121 -7.722 -4.201 1.00 1.67 H new ATOM 0 HE ARG A 52 -7.063 -6.382 -5.688 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -9.513 -8.913 -5.961 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -9.639 -8.767 -7.717 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -7.180 -6.250 -7.961 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -8.325 -7.267 -8.844 1.00 3.14 H new ATOM 383 N ASP A 53 -7.986 -10.768 -0.827 1.00 0.94 N ATOM 384 CA ASP A 53 -7.316 -11.875 -0.154 1.00 1.00 C ATOM 385 C ASP A 53 -5.843 -11.837 -0.515 1.00 0.89 C ATOM 386 O ASP A 53 -5.482 -11.291 -1.559 1.00 0.82 O ATOM 387 CB ASP A 53 -7.883 -13.232 -0.589 1.00 1.18 C ATOM 388 CG ASP A 53 -9.272 -13.502 -0.069 1.00 1.55 C ATOM 389 OD1 ASP A 53 -9.392 -13.961 1.081 1.00 1.90 O ATOM 390 OD2 ASP A 53 -10.246 -13.224 -0.795 1.00 2.10 O ATOM 0 H ASP A 53 -8.457 -11.026 -1.694 1.00 0.94 H new ATOM 0 HA ASP A 53 -7.471 -11.765 0.919 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -7.897 -13.278 -1.678 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -7.216 -14.022 -0.245 1.00 1.18 H new ATOM 395 N PRO A 54 -4.966 -12.410 0.322 1.00 1.02 N ATOM 396 CA PRO A 54 -3.541 -12.522 0.000 1.00 1.10 C ATOM 397 C PRO A 54 -3.310 -13.273 -1.313 1.00 1.03 C ATOM 398 O PRO A 54 -2.349 -13.007 -2.029 1.00 1.68 O ATOM 399 CB PRO A 54 -2.948 -13.300 1.181 1.00 1.35 C ATOM 400 CG PRO A 54 -4.112 -13.875 1.917 1.00 1.43 C ATOM 401 CD PRO A 54 -5.278 -12.969 1.647 1.00 1.25 C ATOM 0 HA PRO A 54 -3.080 -11.544 -0.140 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -2.278 -14.087 0.834 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -2.363 -12.645 1.826 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -4.322 -14.889 1.578 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -3.905 -13.933 2.986 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -6.221 -13.516 1.642 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -5.366 -12.189 2.403 1.00 1.25 H new ATOM 409 N LYS A 55 -4.217 -14.196 -1.630 1.00 0.89 N ATOM 410 CA LYS A 55 -4.126 -14.975 -2.861 1.00 0.96 C ATOM 411 C LYS A 55 -4.467 -14.130 -4.088 1.00 0.82 C ATOM 412 O LYS A 55 -4.057 -14.453 -5.205 1.00 0.92 O ATOM 413 CB LYS A 55 -5.071 -16.181 -2.814 1.00 1.26 C ATOM 414 CG LYS A 55 -4.700 -17.237 -1.786 1.00 1.53 C ATOM 415 CD LYS A 55 -5.540 -18.493 -1.967 1.00 2.06 C ATOM 416 CE LYS A 55 -7.023 -18.223 -1.747 1.00 2.89 C ATOM 417 NZ LYS A 55 -7.344 -18.046 -0.308 1.00 3.61 N ATOM 0 H LYS A 55 -5.024 -14.422 -1.049 1.00 0.89 H new ATOM 0 HA LYS A 55 -3.095 -15.318 -2.942 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -6.080 -15.827 -2.604 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -5.095 -16.645 -3.800 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -3.643 -17.486 -1.880 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -4.846 -16.839 -0.782 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -5.388 -18.889 -2.971 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -5.203 -19.259 -1.268 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -7.315 -17.329 -2.297 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -7.607 -19.050 -2.151 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -8.362 -17.864 -0.199 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -7.089 -18.909 0.213 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -6.806 -17.241 0.071 1.00 3.61 H new ATOM 431 N GLN A 56 -5.211 -13.048 -3.879 1.00 0.72 N ATOM 432 CA GLN A 56 -5.717 -12.250 -4.991 1.00 0.73 C ATOM 433 C GLN A 56 -4.671 -11.275 -5.513 1.00 0.63 C ATOM 434 O GLN A 56 -4.759 -10.823 -6.648 1.00 0.79 O ATOM 435 CB GLN A 56 -6.958 -11.457 -4.585 1.00 0.87 C ATOM 436 CG GLN A 56 -8.148 -12.309 -4.181 1.00 1.32 C ATOM 437 CD GLN A 56 -9.415 -11.484 -4.064 1.00 1.92 C ATOM 438 OE1 GLN A 56 -9.589 -10.496 -4.777 1.00 2.50 O ATOM 439 NE2 GLN A 56 -10.296 -11.862 -3.155 1.00 2.41 N ATOM 0 H GLN A 56 -5.476 -12.705 -2.956 1.00 0.72 H new ATOM 0 HA GLN A 56 -5.972 -12.957 -5.781 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.698 -10.801 -3.754 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -7.252 -10.816 -5.416 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -8.295 -13.100 -4.916 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -7.941 -12.795 -3.227 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -10.116 -12.687 -2.583 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -11.156 -11.329 -3.025 1.00 2.41 H new ATOM 448 N VAL A 57 -3.689 -10.948 -4.689 1.00 0.52 N ATOM 449 CA VAL A 57 -2.737 -9.898 -5.030 1.00 0.48 C ATOM 450 C VAL A 57 -1.296 -10.395 -5.051 1.00 0.55 C ATOM 451 O VAL A 57 -0.458 -9.930 -4.288 1.00 0.97 O ATOM 452 CB VAL A 57 -2.834 -8.861 -4.205 1.00 0.52 C ATOM 453 CG1 VAL A 57 -4.036 -8.001 -4.581 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.935 -9.308 -2.748 1.00 0.58 C ATOM 0 H VAL A 57 -3.529 -11.390 -3.784 1.00 0.52 H new ATOM 0 HA VAL A 57 -3.000 -9.579 -6.039 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.925 -8.268 -4.306 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -4.105 -7.154 -3.898 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -3.917 -7.636 -5.601 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.946 -8.598 -4.513 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -3.013 -8.432 -2.103 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.819 -9.933 -2.620 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -2.046 -9.878 -2.480 1.00 0.58 H new ATOM 464 N ILE A 58 -0.997 -11.333 -5.939 1.00 0.51 N ATOM 465 CA ILE A 58 0.387 -11.737 -6.143 1.00 0.57 C ATOM 466 C ILE A 58 0.825 -11.478 -7.570 1.00 0.57 C ATOM 467 O ILE A 58 0.093 -11.757 -8.522 1.00 0.66 O ATOM 468 CB ILE A 58 0.633 -12.999 -5.822 1.00 0.70 C ATOM 469 CG1 ILE A 58 -0.459 -13.941 -6.340 1.00 0.93 C ATOM 470 CG2 ILE A 58 0.804 -13.128 -4.315 1.00 1.09 C ATOM 471 CD1 ILE A 58 -0.191 -15.403 -6.058 1.00 1.01 C ATOM 0 H ILE A 58 -1.679 -11.820 -6.520 1.00 0.51 H new ATOM 0 HA ILE A 58 0.969 -11.120 -5.458 1.00 0.57 H new ATOM 0 HB ILE A 58 1.562 -13.298 -6.307 1.00 0.70 H new ATOM 0 HG12 ILE A 58 -1.411 -13.662 -5.887 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.565 -13.802 -7.416 1.00 0.93 H new ATOM 0 HG21 ILE A 58 1.006 -14.168 -4.059 1.00 1.09 H new ATOM 0 HG22 ILE A 58 1.637 -12.506 -3.989 1.00 1.09 H new ATOM 0 HG23 ILE A 58 -0.109 -12.802 -3.816 1.00 1.09 H new ATOM 0 HD11 ILE A 58 -1.008 -16.006 -6.455 1.00 1.01 H new ATOM 0 HD12 ILE A 58 0.744 -15.700 -6.534 1.00 1.01 H new ATOM 0 HD13 ILE A 58 -0.115 -15.558 -4.982 1.00 1.01 H new ATOM 483 N GLY A 59 1.994 -10.865 -7.711 1.00 0.59 N ATOM 484 CA GLY A 59 2.462 -10.468 -9.023 1.00 0.66 C ATOM 485 C GLY A 59 1.730 -9.248 -9.527 1.00 0.56 C ATOM 486 O GLY A 59 2.022 -8.730 -10.605 1.00 0.65 O ATOM 0 H GLY A 59 2.624 -10.637 -6.942 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.531 -10.260 -8.981 1.00 0.66 H new ATOM 0 HA3 GLY A 59 2.324 -11.291 -9.724 1.00 0.66 H new ATOM 490 N LYS A 60 0.777 -8.795 -8.738 1.00 0.48 N ATOM 491 CA LYS A 60 -0.081 -7.701 -9.120 1.00 0.45 C ATOM 492 C LYS A 60 0.535 -6.375 -8.720 1.00 0.38 C ATOM 493 O LYS A 60 1.202 -6.284 -7.696 1.00 0.43 O ATOM 494 CB LYS A 60 -1.440 -7.865 -8.458 1.00 0.49 C ATOM 495 CG LYS A 60 -2.385 -8.789 -9.205 1.00 0.80 C ATOM 496 CD LYS A 60 -3.792 -8.697 -8.643 1.00 1.12 C ATOM 497 CE LYS A 60 -4.779 -9.534 -9.442 1.00 1.27 C ATOM 498 NZ LYS A 60 -4.435 -10.980 -9.425 1.00 1.82 N ATOM 0 H LYS A 60 0.578 -9.178 -7.814 1.00 0.48 H new ATOM 0 HA LYS A 60 -0.202 -7.710 -10.203 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.296 -8.249 -7.448 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.907 -6.885 -8.363 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -2.394 -8.528 -10.263 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -2.027 -9.816 -9.134 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -3.791 -9.030 -7.605 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -4.115 -7.656 -8.643 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -5.781 -9.396 -9.036 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -4.801 -9.180 -10.473 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -5.172 -11.518 -9.925 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -3.520 -11.125 -9.897 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -4.373 -11.310 -8.441 1.00 1.82 H new ATOM 512 N ASN A 61 0.306 -5.354 -9.525 1.00 0.43 N ATOM 513 CA ASN A 61 0.843 -4.036 -9.239 1.00 0.42 C ATOM 514 C ASN A 61 -0.188 -3.213 -8.487 1.00 0.39 C ATOM 515 O ASN A 61 -1.202 -2.800 -9.056 1.00 0.42 O ATOM 516 CB ASN A 61 1.254 -3.320 -10.531 1.00 0.52 C ATOM 517 CG ASN A 61 2.024 -2.038 -10.266 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.445 -0.962 -10.134 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.338 -2.143 -10.197 1.00 0.71 N ATOM 0 H ASN A 61 -0.247 -5.411 -10.380 1.00 0.43 H new ATOM 0 HA ASN A 61 1.732 -4.151 -8.619 1.00 0.42 H new ATOM 0 HB2 ASN A 61 1.867 -3.990 -11.135 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.363 -3.091 -11.115 1.00 0.52 H new ATOM 0 HD21 ASN A 61 3.908 -1.314 -10.029 1.00 0.71 H new ATOM 0 HD22 ASN A 61 3.784 -3.053 -10.312 1.00 0.71 H new ATOM 526 N PHE A 62 0.062 -3.012 -7.199 1.00 0.38 N ATOM 527 CA PHE A 62 -0.818 -2.226 -6.339 1.00 0.40 C ATOM 528 C PHE A 62 -1.124 -0.860 -6.953 1.00 0.47 C ATOM 529 O PHE A 62 -2.241 -0.365 -6.849 1.00 0.70 O ATOM 530 CB PHE A 62 -0.173 -2.050 -4.960 1.00 0.43 C ATOM 531 CG PHE A 62 -1.034 -1.327 -3.960 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.779 -0.003 -3.637 1.00 0.51 C ATOM 533 CD2 PHE A 62 -2.101 -1.968 -3.349 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.570 0.665 -2.721 1.00 0.55 C ATOM 535 CE2 PHE A 62 -2.894 -1.303 -2.433 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.623 0.004 -2.107 1.00 0.53 C ATOM 0 H PHE A 62 0.880 -3.389 -6.720 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.760 -2.764 -6.235 1.00 0.40 H new ATOM 0 HB2 PHE A 62 0.078 -3.033 -4.562 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.763 -1.504 -5.077 1.00 0.43 H new ATOM 0 HD1 PHE A 62 0.046 0.512 -4.106 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.315 -2.998 -3.592 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.368 1.699 -2.484 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -3.728 -1.812 -1.973 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.229 0.516 -1.374 1.00 0.53 H new ATOM 546 N PHE A 63 -0.141 -0.277 -7.627 1.00 0.46 N ATOM 547 CA PHE A 63 -0.270 1.075 -8.165 1.00 0.55 C ATOM 548 C PHE A 63 -0.924 1.075 -9.550 1.00 0.66 C ATOM 549 O PHE A 63 -0.855 2.071 -10.271 1.00 0.91 O ATOM 550 CB PHE A 63 1.111 1.736 -8.259 1.00 0.57 C ATOM 551 CG PHE A 63 1.870 1.764 -6.959 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.757 0.751 -6.634 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.692 2.806 -6.061 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.452 0.776 -5.441 1.00 1.10 C ATOM 555 CE2 PHE A 63 2.384 2.835 -4.865 1.00 1.04 C ATOM 556 CZ PHE A 63 3.278 1.814 -4.562 1.00 1.16 C ATOM 0 H PHE A 63 0.758 -0.720 -7.816 1.00 0.46 H new ATOM 0 HA PHE A 63 -0.909 1.638 -7.485 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.706 1.206 -9.003 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.989 2.758 -8.618 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.907 -0.068 -7.322 1.00 0.82 H new ATOM 0 HD2 PHE A 63 1.005 3.604 -6.299 1.00 0.77 H new ATOM 0 HE1 PHE A 63 4.135 -0.025 -5.199 1.00 1.10 H new ATOM 0 HE2 PHE A 63 2.231 3.647 -4.169 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.834 1.838 -3.636 1.00 1.16 H new ATOM 566 N LYS A 64 -1.564 -0.028 -9.922 1.00 0.57 N ATOM 567 CA LYS A 64 -2.126 -0.148 -11.261 1.00 0.72 C ATOM 568 C LYS A 64 -3.403 -0.986 -11.284 1.00 0.72 C ATOM 569 O LYS A 64 -4.388 -0.606 -11.917 1.00 0.90 O ATOM 570 CB LYS A 64 -1.101 -0.757 -12.197 1.00 0.82 C ATOM 571 CG LYS A 64 -1.423 -0.520 -13.656 1.00 1.56 C ATOM 572 CD LYS A 64 -0.332 -1.061 -14.544 1.00 2.11 C ATOM 573 CE LYS A 64 1.002 -0.371 -14.290 1.00 2.85 C ATOM 574 NZ LYS A 64 0.946 1.088 -14.582 1.00 3.58 N ATOM 0 H LYS A 64 -1.705 -0.842 -9.324 1.00 0.57 H new ATOM 0 HA LYS A 64 -2.388 0.857 -11.593 1.00 0.72 H new ATOM 0 HB2 LYS A 64 -0.119 -0.339 -11.974 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -1.040 -1.830 -12.013 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -2.370 -0.998 -13.905 1.00 1.56 H new ATOM 0 HG3 LYS A 64 -1.547 0.548 -13.836 1.00 1.56 H new ATOM 0 HD2 LYS A 64 -0.224 -2.132 -14.375 1.00 2.11 H new ATOM 0 HD3 LYS A 64 -0.615 -0.930 -15.588 1.00 2.11 H new ATOM 0 HE2 LYS A 64 1.294 -0.521 -13.251 1.00 2.85 H new ATOM 0 HE3 LYS A 64 1.772 -0.834 -14.907 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 1.908 1.484 -14.560 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 0.532 1.238 -15.524 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 0.360 1.563 -13.866 1.00 3.58 H new ATOM 588 N ASP A 65 -3.384 -2.125 -10.604 1.00 0.60 N ATOM 589 CA ASP A 65 -4.509 -3.057 -10.646 1.00 0.69 C ATOM 590 C ASP A 65 -5.721 -2.529 -9.887 1.00 0.74 C ATOM 591 O ASP A 65 -6.670 -2.025 -10.489 1.00 1.10 O ATOM 592 CB ASP A 65 -4.116 -4.431 -10.092 1.00 0.79 C ATOM 593 CG ASP A 65 -5.313 -5.360 -9.947 1.00 1.38 C ATOM 594 OD1 ASP A 65 -5.883 -5.777 -10.983 1.00 1.50 O ATOM 595 OD2 ASP A 65 -5.698 -5.665 -8.800 1.00 2.20 O ATOM 0 H ASP A 65 -2.606 -2.427 -10.018 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.782 -3.161 -11.696 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -3.381 -4.890 -10.753 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -3.637 -4.305 -9.121 1.00 0.79 H new ATOM 600 N VAL A 66 -5.686 -2.644 -8.569 1.00 0.70 N ATOM 601 CA VAL A 66 -6.860 -2.372 -7.756 1.00 0.82 C ATOM 602 C VAL A 66 -6.702 -1.073 -6.967 1.00 0.70 C ATOM 603 O VAL A 66 -7.461 -0.773 -6.045 1.00 0.80 O ATOM 604 CB VAL A 66 -7.082 -3.402 -6.952 1.00 1.05 C ATOM 605 CG1 VAL A 66 -6.026 -3.498 -5.849 1.00 1.45 C ATOM 606 CG2 VAL A 66 -8.500 -3.406 -6.390 1.00 1.77 C ATOM 0 H VAL A 66 -4.859 -2.923 -8.041 1.00 0.70 H new ATOM 0 HA VAL A 66 -7.722 -2.240 -8.410 1.00 0.82 H new ATOM 0 HB VAL A 66 -6.991 -4.301 -7.562 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -6.243 -4.355 -5.211 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -5.041 -3.621 -6.298 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -6.041 -2.587 -5.251 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -8.630 -4.270 -5.738 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -8.668 -2.492 -5.820 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -9.216 -3.459 -7.210 1.00 1.77 H new ATOM 616 N ALA A 67 -5.721 -0.286 -7.357 1.00 0.56 N ATOM 617 CA ALA A 67 -5.476 0.988 -6.699 1.00 0.53 C ATOM 618 C ALA A 67 -4.699 1.956 -7.585 1.00 0.49 C ATOM 619 O ALA A 67 -3.524 2.214 -7.350 1.00 0.61 O ATOM 620 CB ALA A 67 -4.748 0.772 -5.378 1.00 0.60 C ATOM 0 H ALA A 67 -5.081 -0.501 -8.122 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.447 1.442 -6.502 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -4.572 1.735 -4.898 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.357 0.147 -4.725 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.794 0.280 -5.565 1.00 0.60 H new ATOM 626 N PRO A 68 -5.340 2.499 -8.631 1.00 0.44 N ATOM 627 CA PRO A 68 -4.746 3.541 -9.470 1.00 0.47 C ATOM 628 C PRO A 68 -4.831 4.933 -8.837 1.00 0.55 C ATOM 629 O PRO A 68 -4.644 5.942 -9.517 1.00 0.81 O ATOM 630 CB PRO A 68 -5.574 3.489 -10.766 1.00 0.56 C ATOM 631 CG PRO A 68 -6.529 2.347 -10.606 1.00 0.69 C ATOM 632 CD PRO A 68 -6.662 2.108 -9.132 1.00 0.47 C ATOM 0 HA PRO A 68 -3.681 3.367 -9.624 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.110 4.425 -10.924 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -4.931 3.340 -11.633 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -7.496 2.585 -11.049 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -6.157 1.456 -11.112 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.458 2.710 -8.693 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -6.890 1.066 -8.908 1.00 0.47 H new ATOM 640 N CYS A 69 -5.114 4.992 -7.535 1.00 0.51 N ATOM 641 CA CYS A 69 -5.054 6.263 -6.816 1.00 0.61 C ATOM 642 C CYS A 69 -3.598 6.649 -6.604 1.00 0.59 C ATOM 643 O CYS A 69 -3.234 7.810 -6.764 1.00 0.81 O ATOM 644 CB CYS A 69 -5.767 6.213 -5.451 1.00 0.85 C ATOM 645 SG CYS A 69 -7.552 5.826 -5.489 1.00 0.81 S ATOM 0 H CYS A 69 -5.382 4.189 -6.966 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.572 7.004 -7.425 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -5.268 5.469 -4.831 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -5.636 7.177 -4.960 1.00 0.85 H new ATOM 0 HG CYS A 69 -8.220 6.892 -5.818 1.00 0.81 H new ATOM 650 N THR A 70 -2.752 5.635 -6.625 1.00 0.61 N ATOM 651 CA THR A 70 -1.679 5.519 -5.663 1.00 0.58 C ATOM 652 C THR A 70 -0.397 6.113 -6.221 1.00 0.55 C ATOM 653 O THR A 70 0.397 6.704 -5.487 1.00 0.64 O ATOM 654 CB THR A 70 -1.478 4.256 -5.357 1.00 0.63 C ATOM 655 OG1 THR A 70 -1.392 3.477 -6.560 1.00 1.33 O ATOM 656 CG2 THR A 70 -2.585 3.723 -4.464 1.00 1.07 C ATOM 0 H THR A 70 -2.791 4.876 -7.305 1.00 0.61 H new ATOM 0 HA THR A 70 -1.965 6.068 -4.766 1.00 0.58 H new ATOM 0 HB THR A 70 -0.540 4.180 -4.806 1.00 0.63 H new ATOM 0 HG1 THR A 70 -2.244 3.019 -6.714 1.00 1.33 H new ATOM 0 HG21 THR A 70 -2.390 2.677 -4.228 1.00 1.07 H new ATOM 0 HG22 THR A 70 -2.619 4.302 -3.541 1.00 1.07 H new ATOM 0 HG23 THR A 70 -3.541 3.807 -4.980 1.00 1.07 H new ATOM 664 N ASP A 71 -0.225 6.015 -7.535 1.00 0.55 N ATOM 665 CA ASP A 71 0.992 6.507 -8.161 1.00 0.63 C ATOM 666 C ASP A 71 0.950 8.031 -8.281 1.00 0.70 C ATOM 667 O ASP A 71 0.602 8.599 -9.316 1.00 0.88 O ATOM 668 CB ASP A 71 1.250 5.828 -9.517 1.00 0.76 C ATOM 669 CG ASP A 71 0.203 6.135 -10.571 1.00 0.96 C ATOM 670 OD1 ASP A 71 -0.993 5.875 -10.331 1.00 1.85 O ATOM 671 OD2 ASP A 71 0.582 6.631 -11.655 1.00 1.34 O ATOM 0 H ASP A 71 -0.903 5.605 -8.177 1.00 0.55 H new ATOM 0 HA ASP A 71 1.834 6.245 -7.521 1.00 0.63 H new ATOM 0 HB2 ASP A 71 2.226 6.140 -9.888 1.00 0.76 H new ATOM 0 HB3 ASP A 71 1.296 4.749 -9.368 1.00 0.76 H new ATOM 676 N SER A 72 1.300 8.686 -7.185 1.00 0.66 N ATOM 677 CA SER A 72 1.228 10.135 -7.079 1.00 0.77 C ATOM 678 C SER A 72 2.378 10.641 -6.213 1.00 0.76 C ATOM 679 O SER A 72 2.918 9.887 -5.403 1.00 0.71 O ATOM 680 CB SER A 72 -0.115 10.547 -6.466 1.00 0.88 C ATOM 681 OG SER A 72 -1.206 10.072 -7.239 1.00 1.56 O ATOM 0 H SER A 72 1.643 8.226 -6.342 1.00 0.66 H new ATOM 0 HA SER A 72 1.309 10.575 -8.073 1.00 0.77 H new ATOM 0 HB2 SER A 72 -0.189 10.155 -5.451 1.00 0.88 H new ATOM 0 HB3 SER A 72 -0.165 11.633 -6.393 1.00 0.88 H new ATOM 0 HG SER A 72 -1.975 9.908 -6.654 1.00 1.56 H new ATOM 687 N PRO A 73 2.761 11.921 -6.358 1.00 0.90 N ATOM 688 CA PRO A 73 3.912 12.500 -5.646 1.00 0.99 C ATOM 689 C PRO A 73 3.866 12.294 -4.130 1.00 0.96 C ATOM 690 O PRO A 73 4.894 12.052 -3.502 1.00 1.05 O ATOM 691 CB PRO A 73 3.820 13.990 -5.980 1.00 1.13 C ATOM 692 CG PRO A 73 3.099 14.042 -7.280 1.00 1.17 C ATOM 693 CD PRO A 73 2.115 12.909 -7.245 1.00 1.05 C ATOM 0 HA PRO A 73 4.843 12.024 -5.954 1.00 0.99 H new ATOM 0 HB2 PRO A 73 3.281 14.537 -5.206 1.00 1.13 H new ATOM 0 HB3 PRO A 73 4.810 14.440 -6.058 1.00 1.13 H new ATOM 0 HG2 PRO A 73 2.591 14.998 -7.408 1.00 1.17 H new ATOM 0 HG3 PRO A 73 3.790 13.934 -8.116 1.00 1.17 H new ATOM 0 HD2 PRO A 73 1.149 13.228 -6.854 1.00 1.05 H new ATOM 0 HD3 PRO A 73 1.938 12.500 -8.240 1.00 1.05 H new ATOM 701 N GLU A 74 2.679 12.379 -3.544 1.00 0.91 N ATOM 702 CA GLU A 74 2.546 12.280 -2.094 1.00 0.96 C ATOM 703 C GLU A 74 2.177 10.868 -1.637 1.00 0.93 C ATOM 704 O GLU A 74 1.788 10.664 -0.488 1.00 1.25 O ATOM 705 CB GLU A 74 1.532 13.301 -1.576 1.00 1.07 C ATOM 706 CG GLU A 74 0.223 13.333 -2.344 1.00 0.90 C ATOM 707 CD GLU A 74 -0.695 14.433 -1.853 1.00 1.59 C ATOM 708 OE1 GLU A 74 -1.750 14.109 -1.266 1.00 2.56 O ATOM 709 OE2 GLU A 74 -0.371 15.622 -2.055 1.00 1.58 O ATOM 0 H GLU A 74 1.800 12.515 -4.044 1.00 0.91 H new ATOM 0 HA GLU A 74 3.523 12.506 -1.666 1.00 0.96 H new ATOM 0 HB2 GLU A 74 1.319 13.084 -0.529 1.00 1.07 H new ATOM 0 HB3 GLU A 74 1.983 14.292 -1.611 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.428 13.478 -3.405 1.00 0.90 H new ATOM 0 HG3 GLU A 74 -0.279 12.371 -2.245 1.00 0.90 H new ATOM 716 N PHE A 75 2.316 9.894 -2.527 1.00 0.80 N ATOM 717 CA PHE A 75 2.156 8.492 -2.152 1.00 0.79 C ATOM 718 C PHE A 75 3.287 7.676 -2.765 1.00 0.66 C ATOM 719 O PHE A 75 4.225 7.282 -2.078 1.00 0.66 O ATOM 720 CB PHE A 75 0.795 7.944 -2.600 1.00 0.87 C ATOM 721 CG PHE A 75 0.489 6.565 -2.070 1.00 1.53 C ATOM 722 CD1 PHE A 75 0.918 5.431 -2.741 1.00 2.26 C ATOM 723 CD2 PHE A 75 -0.229 6.405 -0.896 1.00 1.74 C ATOM 724 CE1 PHE A 75 0.635 4.169 -2.254 1.00 3.20 C ATOM 725 CE2 PHE A 75 -0.515 5.147 -0.404 1.00 2.61 C ATOM 726 CZ PHE A 75 -0.083 4.027 -1.085 1.00 3.36 C ATOM 0 H PHE A 75 2.538 10.046 -3.511 1.00 0.80 H new ATOM 0 HA PHE A 75 2.196 8.415 -1.065 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.013 8.630 -2.275 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.765 7.919 -3.689 1.00 0.87 H new ATOM 0 HD1 PHE A 75 1.481 5.535 -3.657 1.00 2.26 H new ATOM 0 HD2 PHE A 75 -0.570 7.277 -0.358 1.00 1.74 H new ATOM 0 HE1 PHE A 75 0.976 3.295 -2.788 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -1.076 5.040 0.513 1.00 2.61 H new ATOM 0 HZ PHE A 75 -0.307 3.042 -0.703 1.00 3.36 H new ATOM 736 N TYR A 76 3.204 7.461 -4.071 1.00 0.59 N ATOM 737 CA TYR A 76 4.240 6.749 -4.805 1.00 0.50 C ATOM 738 C TYR A 76 5.551 7.527 -4.750 1.00 0.47 C ATOM 739 O TYR A 76 6.625 6.942 -4.650 1.00 0.49 O ATOM 740 CB TYR A 76 3.796 6.545 -6.254 1.00 0.51 C ATOM 741 CG TYR A 76 4.745 5.718 -7.091 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.464 6.293 -8.132 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.915 4.362 -6.848 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.323 5.538 -8.906 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.774 3.600 -7.616 1.00 0.59 C ATOM 746 CZ TYR A 76 6.473 4.192 -8.645 1.00 0.65 C ATOM 747 OH TYR A 76 7.330 3.438 -9.411 1.00 0.79 O ATOM 0 H TYR A 76 2.422 7.773 -4.648 1.00 0.59 H new ATOM 0 HA TYR A 76 4.401 5.773 -4.346 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.817 6.065 -6.256 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.674 7.521 -6.724 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.349 7.347 -8.339 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.366 3.894 -6.044 1.00 0.51 H new ATOM 0 HE1 TYR A 76 6.875 5.999 -9.712 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.897 2.547 -7.411 1.00 0.59 H new ATOM 0 HH TYR A 76 7.320 2.510 -9.096 1.00 0.79 H new ATOM 757 N GLY A 77 5.451 8.850 -4.791 1.00 0.48 N ATOM 758 CA GLY A 77 6.629 9.694 -4.695 1.00 0.50 C ATOM 759 C GLY A 77 7.326 9.562 -3.354 1.00 0.52 C ATOM 760 O GLY A 77 8.541 9.731 -3.258 1.00 0.60 O ATOM 0 H GLY A 77 4.571 9.356 -4.889 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.326 9.433 -5.491 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.342 10.734 -4.852 1.00 0.50 H new ATOM 764 N LYS A 78 6.559 9.257 -2.314 1.00 0.53 N ATOM 765 CA LYS A 78 7.120 9.052 -0.983 1.00 0.60 C ATOM 766 C LYS A 78 7.552 7.600 -0.811 1.00 0.59 C ATOM 767 O LYS A 78 8.440 7.294 -0.016 1.00 0.66 O ATOM 768 CB LYS A 78 6.111 9.456 0.094 1.00 0.69 C ATOM 769 CG LYS A 78 5.823 10.949 0.108 1.00 0.77 C ATOM 770 CD LYS A 78 4.771 11.318 1.138 1.00 1.17 C ATOM 771 CE LYS A 78 4.510 12.816 1.158 1.00 1.41 C ATOM 772 NZ LYS A 78 5.703 13.586 1.600 1.00 2.09 N ATOM 0 H LYS A 78 5.546 9.146 -2.366 1.00 0.53 H new ATOM 0 HA LYS A 78 8.000 9.686 -0.872 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.179 8.913 -0.067 1.00 0.69 H new ATOM 0 HB3 LYS A 78 6.490 9.156 1.071 1.00 0.69 H new ATOM 0 HG2 LYS A 78 6.743 11.493 0.320 1.00 0.77 H new ATOM 0 HG3 LYS A 78 5.487 11.262 -0.881 1.00 0.77 H new ATOM 0 HD2 LYS A 78 3.844 10.789 0.918 1.00 1.17 H new ATOM 0 HD3 LYS A 78 5.097 10.991 2.125 1.00 1.17 H new ATOM 0 HE2 LYS A 78 4.215 13.145 0.162 1.00 1.41 H new ATOM 0 HE3 LYS A 78 3.674 13.029 1.824 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 5.429 14.570 1.795 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 6.092 13.158 2.464 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 6.424 13.569 0.851 1.00 2.09 H new ATOM 786 N PHE A 79 6.916 6.717 -1.562 1.00 0.52 N ATOM 787 CA PHE A 79 7.358 5.334 -1.676 1.00 0.50 C ATOM 788 C PHE A 79 8.750 5.294 -2.298 1.00 0.51 C ATOM 789 O PHE A 79 9.654 4.624 -1.806 1.00 0.56 O ATOM 790 CB PHE A 79 6.364 4.551 -2.539 1.00 0.48 C ATOM 791 CG PHE A 79 6.803 3.153 -2.854 1.00 0.51 C ATOM 792 CD1 PHE A 79 6.752 2.163 -1.885 1.00 0.62 C ATOM 793 CD2 PHE A 79 7.263 2.828 -4.117 1.00 0.53 C ATOM 794 CE1 PHE A 79 7.152 0.874 -2.173 1.00 0.67 C ATOM 795 CE2 PHE A 79 7.665 1.544 -4.408 1.00 0.61 C ATOM 796 CZ PHE A 79 7.622 0.571 -3.436 1.00 0.65 C ATOM 0 H PHE A 79 6.083 6.935 -2.108 1.00 0.52 H new ATOM 0 HA PHE A 79 7.402 4.878 -0.687 1.00 0.50 H new ATOM 0 HB2 PHE A 79 5.403 4.513 -2.025 1.00 0.48 H new ATOM 0 HB3 PHE A 79 6.205 5.090 -3.473 1.00 0.48 H new ATOM 0 HD1 PHE A 79 6.395 2.403 -0.894 1.00 0.62 H new ATOM 0 HD2 PHE A 79 7.307 3.589 -4.882 1.00 0.53 H new ATOM 0 HE1 PHE A 79 7.098 0.106 -1.415 1.00 0.67 H new ATOM 0 HE2 PHE A 79 8.015 1.300 -5.400 1.00 0.61 H new ATOM 0 HZ PHE A 79 7.956 -0.431 -3.661 1.00 0.65 H new ATOM 806 N LYS A 80 8.915 6.059 -3.362 1.00 0.51 N ATOM 807 CA LYS A 80 10.176 6.117 -4.092 1.00 0.58 C ATOM 808 C LYS A 80 11.183 6.988 -3.349 1.00 0.63 C ATOM 809 O LYS A 80 12.383 6.925 -3.610 1.00 0.66 O ATOM 810 CB LYS A 80 9.942 6.671 -5.500 1.00 0.64 C ATOM 811 CG LYS A 80 8.925 5.876 -6.302 1.00 0.69 C ATOM 812 CD LYS A 80 9.454 4.507 -6.698 1.00 0.72 C ATOM 813 CE LYS A 80 10.446 4.611 -7.846 1.00 0.93 C ATOM 814 NZ LYS A 80 10.846 3.280 -8.372 1.00 1.09 N ATOM 0 H LYS A 80 8.184 6.657 -3.746 1.00 0.51 H new ATOM 0 HA LYS A 80 10.580 5.107 -4.169 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.605 7.705 -5.424 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.889 6.683 -6.039 1.00 0.64 H new ATOM 0 HG2 LYS A 80 8.014 5.757 -5.715 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.655 6.433 -7.199 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.935 4.038 -5.840 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.624 3.864 -6.989 1.00 0.72 H new ATOM 0 HE2 LYS A 80 10.005 5.199 -8.651 1.00 0.93 H new ATOM 0 HE3 LYS A 80 11.333 5.147 -7.508 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 11.522 3.404 -9.152 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 11.291 2.726 -7.613 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 10.005 2.777 -8.720 1.00 1.09 H new ATOM 828 N GLU A 81 10.676 7.790 -2.419 1.00 0.67 N ATOM 829 CA GLU A 81 11.502 8.685 -1.613 1.00 0.78 C ATOM 830 C GLU A 81 12.544 7.891 -0.831 1.00 0.67 C ATOM 831 O GLU A 81 13.702 8.299 -0.718 1.00 0.70 O ATOM 832 CB GLU A 81 10.607 9.478 -0.654 1.00 0.94 C ATOM 833 CG GLU A 81 11.332 10.518 0.184 1.00 1.25 C ATOM 834 CD GLU A 81 10.381 11.311 1.059 1.00 1.57 C ATOM 835 OE1 GLU A 81 9.914 12.386 0.620 1.00 2.07 O ATOM 836 OE2 GLU A 81 10.091 10.866 2.192 1.00 2.04 O ATOM 0 H GLU A 81 9.681 7.839 -2.202 1.00 0.67 H new ATOM 0 HA GLU A 81 12.026 9.377 -2.272 1.00 0.78 H new ATOM 0 HB2 GLU A 81 9.830 9.977 -1.234 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.106 8.778 0.015 1.00 0.94 H new ATOM 0 HG2 GLU A 81 12.074 10.024 0.811 1.00 1.25 H new ATOM 0 HG3 GLU A 81 11.873 11.199 -0.473 1.00 1.25 H new ATOM 843 N GLY A 82 12.132 6.745 -0.315 1.00 0.62 N ATOM 844 CA GLY A 82 13.038 5.915 0.447 1.00 0.62 C ATOM 845 C GLY A 82 13.869 5.015 -0.441 1.00 0.62 C ATOM 846 O GLY A 82 15.083 4.913 -0.267 1.00 0.72 O ATOM 0 H GLY A 82 11.186 6.375 -0.410 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.698 6.549 1.039 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.468 5.305 1.148 1.00 0.62 H new ATOM 850 N VAL A 83 13.203 4.376 -1.402 1.00 0.58 N ATOM 851 CA VAL A 83 13.854 3.463 -2.340 1.00 0.66 C ATOM 852 C VAL A 83 15.035 4.131 -3.043 1.00 0.73 C ATOM 853 O VAL A 83 16.158 3.621 -3.007 1.00 0.85 O ATOM 854 CB VAL A 83 12.995 3.032 -3.256 1.00 0.68 C ATOM 855 CG1 VAL A 83 13.646 2.002 -4.173 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.748 2.451 -2.611 1.00 0.65 C ATOM 0 H VAL A 83 12.199 4.476 -1.552 1.00 0.58 H new ATOM 0 HA VAL A 83 14.220 2.618 -1.757 1.00 0.66 H new ATOM 0 HB VAL A 83 12.698 3.891 -3.857 1.00 0.68 H new ATOM 0 HG11 VAL A 83 12.921 1.665 -4.914 1.00 0.83 H new ATOM 0 HG12 VAL A 83 14.499 2.453 -4.679 1.00 0.83 H new ATOM 0 HG13 VAL A 83 13.983 1.150 -3.582 1.00 0.83 H new ATOM 0 HG21 VAL A 83 11.064 2.107 -3.387 1.00 0.65 H new ATOM 0 HG22 VAL A 83 12.026 1.612 -1.973 1.00 0.65 H new ATOM 0 HG23 VAL A 83 11.259 3.217 -2.010 1.00 0.65 H new ATOM 866 N ALA A 84 14.787 5.292 -3.642 1.00 0.70 N ATOM 867 CA ALA A 84 15.806 5.984 -4.427 1.00 0.81 C ATOM 868 C ALA A 84 16.909 6.573 -3.549 1.00 0.92 C ATOM 869 O ALA A 84 17.942 7.014 -4.052 1.00 1.14 O ATOM 870 CB ALA A 84 15.171 7.076 -5.274 1.00 0.85 C ATOM 0 H ALA A 84 13.889 5.774 -3.599 1.00 0.70 H new ATOM 0 HA ALA A 84 16.268 5.244 -5.080 1.00 0.81 H new ATOM 0 HB1 ALA A 84 15.943 7.583 -5.853 1.00 0.85 H new ATOM 0 HB2 ALA A 84 14.441 6.633 -5.952 1.00 0.85 H new ATOM 0 HB3 ALA A 84 14.673 7.796 -4.625 1.00 0.85 H new ATOM 876 N SER A 85 16.694 6.586 -2.243 1.00 0.92 N ATOM 877 CA SER A 85 17.694 7.099 -1.324 1.00 1.12 C ATOM 878 C SER A 85 18.514 5.957 -0.720 1.00 1.16 C ATOM 879 O SER A 85 19.664 5.734 -1.104 1.00 1.40 O ATOM 880 CB SER A 85 17.026 7.922 -0.220 1.00 1.38 C ATOM 881 OG SER A 85 16.282 9.002 -0.767 1.00 1.82 O ATOM 0 H SER A 85 15.840 6.249 -1.798 1.00 0.92 H new ATOM 0 HA SER A 85 18.372 7.746 -1.880 1.00 1.12 H new ATOM 0 HB2 SER A 85 16.367 7.282 0.367 1.00 1.38 H new ATOM 0 HB3 SER A 85 17.785 8.307 0.461 1.00 1.38 H new ATOM 0 HG SER A 85 15.324 8.832 -0.650 1.00 1.82 H new ATOM 887 N GLY A 86 17.913 5.226 0.207 1.00 1.12 N ATOM 888 CA GLY A 86 18.604 4.133 0.859 1.00 1.47 C ATOM 889 C GLY A 86 17.645 3.241 1.614 1.00 1.35 C ATOM 890 O GLY A 86 17.407 2.099 1.227 1.00 1.65 O ATOM 0 H GLY A 86 16.953 5.372 0.521 1.00 1.12 H new ATOM 0 HA2 GLY A 86 19.140 3.544 0.114 1.00 1.47 H new ATOM 0 HA3 GLY A 86 19.350 4.532 1.547 1.00 1.47 H new ATOM 894 N ASN A 87 17.091 3.771 2.691 1.00 1.30 N ATOM 895 CA ASN A 87 16.091 3.056 3.471 1.00 1.28 C ATOM 896 C ASN A 87 14.733 3.717 3.283 1.00 0.81 C ATOM 897 O ASN A 87 14.658 4.894 2.928 1.00 1.19 O ATOM 898 CB ASN A 87 16.478 3.028 4.956 1.00 1.94 C ATOM 899 CG ASN A 87 16.576 4.408 5.580 1.00 2.79 C ATOM 900 OD1 ASN A 87 15.606 4.927 6.131 1.00 3.50 O ATOM 901 ND2 ASN A 87 17.755 5.007 5.506 1.00 3.16 N ATOM 0 H ASN A 87 17.317 4.699 3.048 1.00 1.30 H new ATOM 0 HA ASN A 87 16.038 2.025 3.121 1.00 1.28 H new ATOM 0 HB2 ASN A 87 15.742 2.441 5.505 1.00 1.94 H new ATOM 0 HB3 ASN A 87 17.436 2.520 5.065 1.00 1.94 H new ATOM 0 HD21 ASN A 87 17.883 5.933 5.915 1.00 3.16 H new ATOM 0 HD22 ASN A 87 18.535 4.543 5.040 1.00 3.16 H new ATOM 908 N LEU A 88 13.667 2.969 3.508 1.00 0.61 N ATOM 909 CA LEU A 88 12.330 3.482 3.280 1.00 0.75 C ATOM 910 C LEU A 88 11.439 3.212 4.480 1.00 0.56 C ATOM 911 O LEU A 88 10.982 2.099 4.676 1.00 1.00 O ATOM 912 CB LEU A 88 11.730 2.845 2.020 1.00 1.61 C ATOM 913 CG LEU A 88 10.249 3.147 1.763 1.00 2.22 C ATOM 914 CD1 LEU A 88 10.011 4.643 1.621 1.00 2.96 C ATOM 915 CD2 LEU A 88 9.769 2.406 0.525 1.00 2.90 C ATOM 0 H LEU A 88 13.702 2.008 3.847 1.00 0.61 H new ATOM 0 HA LEU A 88 12.394 4.561 3.136 1.00 0.75 H new ATOM 0 HB2 LEU A 88 12.305 3.180 1.157 1.00 1.61 H new ATOM 0 HB3 LEU A 88 11.855 1.764 2.087 1.00 1.61 H new ATOM 0 HG LEU A 88 9.675 2.800 2.622 1.00 2.22 H new ATOM 0 HD11 LEU A 88 8.952 4.827 1.439 1.00 2.96 H new ATOM 0 HD12 LEU A 88 10.315 5.148 2.537 1.00 2.96 H new ATOM 0 HD13 LEU A 88 10.595 5.026 0.784 1.00 2.96 H new ATOM 0 HD21 LEU A 88 8.716 2.629 0.353 1.00 2.90 H new ATOM 0 HD22 LEU A 88 10.353 2.724 -0.339 1.00 2.90 H new ATOM 0 HD23 LEU A 88 9.894 1.333 0.672 1.00 2.90 H new ATOM 927 N ASN A 89 11.204 4.237 5.274 1.00 0.54 N ATOM 928 CA ASN A 89 10.297 4.149 6.410 1.00 0.47 C ATOM 929 C ASN A 89 9.561 5.462 6.548 1.00 0.59 C ATOM 930 O ASN A 89 10.093 6.429 7.092 1.00 0.97 O ATOM 931 CB ASN A 89 11.040 3.843 7.717 1.00 0.50 C ATOM 932 CG ASN A 89 11.508 2.404 7.844 1.00 1.31 C ATOM 933 OD1 ASN A 89 10.899 1.482 7.309 1.00 2.24 O ATOM 934 ND2 ASN A 89 12.587 2.202 8.581 1.00 1.82 N ATOM 0 H ASN A 89 11.633 5.154 5.154 1.00 0.54 H new ATOM 0 HA ASN A 89 9.601 3.330 6.227 1.00 0.47 H new ATOM 0 HB2 ASN A 89 11.904 4.503 7.794 1.00 0.50 H new ATOM 0 HB3 ASN A 89 10.386 4.076 8.557 1.00 0.50 H new ATOM 0 HD21 ASN A 89 12.939 1.255 8.720 1.00 1.82 H new ATOM 0 HD22 ASN A 89 13.067 2.993 9.010 1.00 1.82 H new ATOM 941 N THR A 90 8.354 5.507 6.026 1.00 0.51 N ATOM 942 CA THR A 90 7.583 6.728 6.021 1.00 0.61 C ATOM 943 C THR A 90 6.171 6.505 6.531 1.00 0.53 C ATOM 944 O THR A 90 5.671 5.386 6.543 1.00 0.51 O ATOM 945 CB THR A 90 7.524 7.252 4.809 1.00 0.75 C ATOM 946 OG1 THR A 90 7.271 6.219 3.845 1.00 1.63 O ATOM 947 CG2 THR A 90 8.804 7.988 4.452 1.00 1.39 C ATOM 0 H THR A 90 7.886 4.708 5.599 1.00 0.51 H new ATOM 0 HA THR A 90 8.095 7.419 6.691 1.00 0.61 H new ATOM 0 HB THR A 90 6.709 7.976 4.797 1.00 0.75 H new ATOM 0 HG1 THR A 90 7.226 6.612 2.948 1.00 1.63 H new ATOM 0 HG21 THR A 90 8.716 8.404 3.449 1.00 1.39 H new ATOM 0 HG22 THR A 90 8.971 8.794 5.166 1.00 1.39 H new ATOM 0 HG23 THR A 90 9.644 7.294 4.485 1.00 1.39 H new ATOM 955 N MET A 91 5.571 7.564 7.027 1.00 0.55 N ATOM 956 CA MET A 91 4.163 7.552 7.391 1.00 0.51 C ATOM 957 C MET A 91 3.513 8.872 6.988 1.00 0.57 C ATOM 958 O MET A 91 3.737 9.910 7.608 1.00 0.75 O ATOM 959 CB MET A 91 3.969 7.272 8.889 1.00 0.60 C ATOM 960 CG MET A 91 4.746 8.195 9.813 1.00 1.14 C ATOM 961 SD MET A 91 4.474 7.807 11.552 1.00 1.61 S ATOM 962 CE MET A 91 5.529 9.020 12.340 1.00 1.77 C ATOM 0 H MET A 91 6.038 8.456 7.191 1.00 0.55 H new ATOM 0 HA MET A 91 3.675 6.741 6.850 1.00 0.51 H new ATOM 0 HB2 MET A 91 2.908 7.353 9.125 1.00 0.60 H new ATOM 0 HB3 MET A 91 4.264 6.243 9.094 1.00 0.60 H new ATOM 0 HG2 MET A 91 5.810 8.120 9.588 1.00 1.14 H new ATOM 0 HG3 MET A 91 4.452 9.227 9.623 1.00 1.14 H new ATOM 0 HE1 MET A 91 5.468 8.907 13.422 1.00 1.77 H new ATOM 0 HE2 MET A 91 6.559 8.871 12.017 1.00 1.77 H new ATOM 0 HE3 MET A 91 5.203 10.022 12.061 1.00 1.77 H new ATOM 972 N PHE A 92 2.724 8.824 5.929 1.00 0.49 N ATOM 973 CA PHE A 92 2.124 10.024 5.359 1.00 0.55 C ATOM 974 C PHE A 92 0.615 9.860 5.222 1.00 0.48 C ATOM 975 O PHE A 92 0.092 8.755 5.347 1.00 0.47 O ATOM 976 CB PHE A 92 2.753 10.339 3.995 1.00 0.72 C ATOM 977 CG PHE A 92 2.713 9.193 3.021 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.548 8.895 2.332 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.838 8.418 2.790 1.00 1.83 C ATOM 980 CE1 PHE A 92 1.505 7.847 1.433 1.00 2.19 C ATOM 981 CE2 PHE A 92 3.802 7.370 1.894 1.00 2.86 C ATOM 982 CZ PHE A 92 2.643 7.069 1.230 1.00 3.01 C ATOM 0 H PHE A 92 2.481 7.962 5.441 1.00 0.49 H new ATOM 0 HA PHE A 92 2.318 10.858 6.034 1.00 0.55 H new ATOM 0 HB2 PHE A 92 2.236 11.193 3.557 1.00 0.72 H new ATOM 0 HB3 PHE A 92 3.790 10.638 4.146 1.00 0.72 H new ATOM 0 HD1 PHE A 92 0.662 9.490 2.500 1.00 1.25 H new ATOM 0 HD2 PHE A 92 4.754 8.637 3.318 1.00 1.83 H new ATOM 0 HE1 PHE A 92 0.596 7.632 0.891 1.00 2.19 H new ATOM 0 HE2 PHE A 92 4.692 6.784 1.715 1.00 2.86 H new ATOM 0 HZ PHE A 92 2.611 6.230 0.550 1.00 3.01 H new ATOM 992 N GLU A 93 -0.077 10.958 4.968 1.00 0.48 N ATOM 993 CA GLU A 93 -1.522 10.926 4.813 1.00 0.47 C ATOM 994 C GLU A 93 -1.890 11.028 3.340 1.00 0.45 C ATOM 995 O GLU A 93 -1.503 11.978 2.659 1.00 0.53 O ATOM 996 CB GLU A 93 -2.172 12.077 5.579 1.00 0.58 C ATOM 997 CG GLU A 93 -1.765 12.157 7.040 1.00 1.30 C ATOM 998 CD GLU A 93 -2.428 13.312 7.757 1.00 1.73 C ATOM 999 OE1 GLU A 93 -3.133 13.067 8.758 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -2.253 14.465 7.322 1.00 2.04 O ATOM 0 H GLU A 93 0.339 11.884 4.865 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.888 9.982 5.216 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.915 13.016 5.089 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -3.255 11.973 5.520 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -2.026 11.224 7.539 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -0.682 12.263 7.108 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.625 10.047 2.849 1.00 0.44 N ATOM 1008 CA TYR A 94 -3.051 10.041 1.459 1.00 0.51 C ATOM 1009 C TYR A 94 -4.470 9.491 1.363 1.00 0.42 C ATOM 1010 O TYR A 94 -4.928 8.794 2.271 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.085 9.212 0.607 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.292 9.380 -0.882 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -2.737 8.320 -1.661 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -2.046 10.593 -1.507 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -2.925 8.466 -3.021 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -2.234 10.746 -2.868 1.00 1.83 C ATOM 1017 CZ TYR A 94 -2.674 9.699 -3.616 1.00 2.64 C ATOM 1018 OH TYR A 94 -2.859 9.825 -4.973 1.00 3.37 O ATOM 0 H TYR A 94 -2.940 9.243 3.392 1.00 0.44 H new ATOM 0 HA TYR A 94 -3.043 11.061 1.076 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.062 9.492 0.857 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.199 8.159 0.864 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -2.939 7.367 -1.196 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -1.702 11.432 -0.921 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -3.264 7.632 -3.617 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -2.031 11.697 -3.337 1.00 1.83 H new ATOM 0 HH TYR A 94 -3.000 8.939 -5.368 1.00 3.37 H new ATOM 1028 N THR A 95 -5.173 9.807 0.287 1.00 0.46 N ATOM 1029 CA THR A 95 -6.551 9.385 0.148 1.00 0.46 C ATOM 1030 C THR A 95 -6.704 8.225 -0.823 1.00 0.47 C ATOM 1031 O THR A 95 -5.841 7.972 -1.665 1.00 0.60 O ATOM 1032 CB THR A 95 -7.324 10.377 -0.254 1.00 0.59 C ATOM 1033 OG1 THR A 95 -6.791 10.958 -1.456 1.00 1.40 O ATOM 1034 CG2 THR A 95 -7.458 11.447 0.815 1.00 1.09 C ATOM 0 H THR A 95 -4.812 10.351 -0.497 1.00 0.46 H new ATOM 0 HA THR A 95 -6.862 9.057 1.140 1.00 0.46 H new ATOM 0 HB THR A 95 -8.315 9.969 -0.451 1.00 0.59 H new ATOM 0 HG1 THR A 95 -7.335 10.680 -2.223 1.00 1.40 H new ATOM 0 HG21 THR A 95 -8.101 12.248 0.450 1.00 1.09 H new ATOM 0 HG22 THR A 95 -7.896 11.011 1.713 1.00 1.09 H new ATOM 0 HG23 THR A 95 -6.474 11.851 1.051 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.782 7.486 -0.647 1.00 0.43 N ATOM 1043 CA PHE A 96 -8.184 6.467 -1.592 1.00 0.53 C ATOM 1044 C PHE A 96 -9.581 6.806 -2.066 1.00 0.62 C ATOM 1045 O PHE A 96 -10.533 6.784 -1.289 1.00 0.78 O ATOM 1046 CB PHE A 96 -8.139 5.076 -0.960 1.00 0.69 C ATOM 1047 CG PHE A 96 -6.744 4.606 -0.643 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -5.791 4.504 -1.644 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -6.391 4.255 0.650 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -4.513 4.065 -1.362 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -5.112 3.815 0.936 1.00 1.18 C ATOM 1052 CZ PHE A 96 -4.173 3.719 -0.071 1.00 1.03 C ATOM 0 H PHE A 96 -8.403 7.577 0.157 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.495 6.447 -2.436 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -8.729 5.083 -0.043 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -8.609 4.363 -1.637 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -6.051 4.771 -2.657 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -7.122 4.326 1.442 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.780 3.993 -2.152 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -4.847 3.546 1.948 1.00 1.18 H new ATOM 0 HZ PHE A 96 -3.174 3.374 0.152 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.697 7.159 -3.331 1.00 0.66 N ATOM 1063 CA ASP A 97 -10.915 7.781 -3.815 1.00 0.88 C ATOM 1064 C ASP A 97 -11.524 7.006 -4.981 1.00 0.95 C ATOM 1065 O ASP A 97 -12.420 7.507 -5.662 1.00 1.74 O ATOM 1066 CB ASP A 97 -10.619 9.215 -4.255 1.00 1.17 C ATOM 1067 CG ASP A 97 -9.741 9.979 -3.280 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -8.508 10.026 -3.496 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -10.275 10.555 -2.314 1.00 2.57 O ATOM 0 H ASP A 97 -8.972 7.028 -4.036 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.637 7.779 -2.998 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -10.133 9.194 -5.230 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -11.560 9.750 -4.380 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.043 5.788 -5.206 1.00 1.21 N ATOM 1075 CA TYR A 98 -11.532 4.973 -6.319 1.00 1.30 C ATOM 1076 C TYR A 98 -12.338 3.776 -5.815 1.00 1.26 C ATOM 1077 O TYR A 98 -13.441 3.521 -6.285 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.354 4.505 -7.181 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.743 3.700 -8.402 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.574 2.322 -8.431 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -11.270 4.320 -9.529 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.917 1.585 -9.548 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -11.617 3.588 -10.650 1.00 2.79 C ATOM 1084 CZ TYR A 98 -11.438 2.221 -10.655 1.00 2.67 C ATOM 1085 OH TYR A 98 -11.778 1.487 -11.765 1.00 3.21 O ATOM 0 H TYR A 98 -10.321 5.344 -4.639 1.00 1.21 H new ATOM 0 HA TYR A 98 -12.196 5.586 -6.928 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -9.788 5.379 -7.504 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -9.686 3.904 -6.564 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -10.168 1.818 -7.566 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -11.411 5.391 -9.529 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.778 0.514 -9.554 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -12.026 4.085 -11.517 1.00 2.79 H new ATOM 0 HH TYR A 98 -12.131 2.085 -12.457 1.00 3.21 H new ATOM 1095 N GLN A 99 -11.786 3.043 -4.854 1.00 1.11 N ATOM 1096 CA GLN A 99 -12.486 1.899 -4.273 1.00 1.70 C ATOM 1097 C GLN A 99 -13.301 2.319 -3.057 1.00 1.80 C ATOM 1098 O GLN A 99 -13.770 1.485 -2.285 1.00 2.28 O ATOM 1099 CB GLN A 99 -11.494 0.805 -3.892 1.00 2.11 C ATOM 1100 CG GLN A 99 -10.997 0.005 -5.083 1.00 2.28 C ATOM 1101 CD GLN A 99 -12.111 -0.771 -5.753 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -12.371 -1.926 -5.412 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -12.787 -0.137 -6.697 1.00 2.81 N ATOM 0 H GLN A 99 -10.861 3.218 -4.461 1.00 1.11 H new ATOM 0 HA GLN A 99 -13.171 1.505 -5.024 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -10.641 1.257 -3.385 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -11.966 0.128 -3.180 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -10.540 0.680 -5.807 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -10.220 -0.686 -4.756 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -12.537 0.820 -6.948 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -13.558 -0.605 -7.174 1.00 2.81 H new ATOM 1112 N MET A 100 -13.468 3.622 -2.909 1.00 1.50 N ATOM 1113 CA MET A 100 -14.232 4.198 -1.811 1.00 1.55 C ATOM 1114 C MET A 100 -14.444 5.674 -2.057 1.00 1.40 C ATOM 1115 O MET A 100 -13.670 6.296 -2.787 1.00 1.30 O ATOM 1116 CB MET A 100 -13.526 3.982 -0.462 1.00 1.54 C ATOM 1117 CG MET A 100 -12.057 4.367 -0.457 1.00 1.64 C ATOM 1118 SD MET A 100 -11.240 3.971 1.104 1.00 2.37 S ATOM 1119 CE MET A 100 -11.338 2.182 1.086 1.00 2.85 C ATOM 0 H MET A 100 -13.077 4.314 -3.548 1.00 1.50 H new ATOM 0 HA MET A 100 -15.197 3.694 -1.766 1.00 1.55 H new ATOM 0 HB2 MET A 100 -14.044 4.561 0.303 1.00 1.54 H new ATOM 0 HB3 MET A 100 -13.615 2.932 -0.182 1.00 1.54 H new ATOM 0 HG2 MET A 100 -11.547 3.851 -1.271 1.00 1.64 H new ATOM 0 HG3 MET A 100 -11.965 5.436 -0.650 1.00 1.64 H new ATOM 0 HE1 MET A 100 -10.571 1.769 1.741 1.00 2.85 H new ATOM 0 HE2 MET A 100 -12.321 1.868 1.436 1.00 2.85 H new ATOM 0 HE3 MET A 100 -11.182 1.819 0.070 1.00 2.85 H new ATOM 1129 N THR A 101 -15.511 6.221 -1.495 1.00 1.46 N ATOM 1130 CA THR A 101 -15.710 7.655 -1.510 1.00 1.40 C ATOM 1131 C THR A 101 -14.505 8.313 -0.835 1.00 1.14 C ATOM 1132 O THR A 101 -13.921 7.706 0.061 1.00 1.13 O ATOM 1133 CB THR A 101 -16.854 7.995 -0.912 1.00 1.54 C ATOM 1134 OG1 THR A 101 -17.056 9.413 -0.967 1.00 2.12 O ATOM 1135 CG2 THR A 101 -16.908 7.525 0.538 1.00 2.05 C ATOM 0 H THR A 101 -16.247 5.693 -1.026 1.00 1.46 H new ATOM 0 HA THR A 101 -15.788 8.005 -2.539 1.00 1.40 H new ATOM 0 HB THR A 101 -17.654 7.494 -1.458 1.00 1.54 H new ATOM 0 HG1 THR A 101 -17.900 9.641 -0.525 1.00 2.12 H new ATOM 0 HG21 THR A 101 -17.857 7.825 0.983 1.00 2.05 H new ATOM 0 HG22 THR A 101 -16.818 6.439 0.572 1.00 2.05 H new ATOM 0 HG23 THR A 101 -16.087 7.975 1.097 1.00 2.05 H new ATOM 1143 N PRO A 102 -14.053 9.486 -1.338 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.862 10.193 -0.851 1.00 1.00 C ATOM 1145 C PRO A 102 -12.571 10.017 0.642 1.00 0.92 C ATOM 1146 O PRO A 102 -13.023 10.806 1.475 1.00 1.15 O ATOM 1147 CB PRO A 102 -13.207 11.643 -1.162 1.00 1.32 C ATOM 1148 CG PRO A 102 -13.986 11.575 -2.433 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.662 10.222 -2.466 1.00 1.44 C ATOM 0 HA PRO A 102 -11.955 9.812 -1.321 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.793 12.093 -0.360 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -12.309 12.249 -1.279 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -14.724 12.376 -2.476 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.330 11.699 -3.294 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.742 10.313 -2.346 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -14.488 9.713 -3.414 1.00 1.44 H new ATOM 1157 N THR A 103 -11.846 8.953 0.976 1.00 0.73 N ATOM 1158 CA THR A 103 -11.420 8.728 2.352 1.00 0.70 C ATOM 1159 C THR A 103 -9.904 8.889 2.487 1.00 0.58 C ATOM 1160 O THR A 103 -9.155 8.531 1.579 1.00 0.54 O ATOM 1161 CB THR A 103 -11.793 7.526 2.775 1.00 0.81 C ATOM 1162 OG1 THR A 103 -13.207 7.371 2.579 1.00 1.34 O ATOM 1163 CG2 THR A 103 -11.467 7.303 4.248 1.00 1.40 C ATOM 0 H THR A 103 -11.543 8.237 0.316 1.00 0.73 H new ATOM 0 HA THR A 103 -11.905 9.479 2.976 1.00 0.70 H new ATOM 0 HB THR A 103 -11.238 6.788 2.196 1.00 0.81 H new ATOM 0 HG1 THR A 103 -13.382 7.108 1.651 1.00 1.34 H new ATOM 0 HG21 THR A 103 -11.792 6.306 4.546 1.00 1.40 H new ATOM 0 HG22 THR A 103 -10.392 7.395 4.401 1.00 1.40 H new ATOM 0 HG23 THR A 103 -11.984 8.048 4.852 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.463 9.484 3.594 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.043 9.701 3.838 1.00 0.59 C ATOM 1173 C LYS A 104 -7.521 8.700 4.860 1.00 0.58 C ATOM 1174 O LYS A 104 -8.167 8.443 5.879 1.00 0.75 O ATOM 1175 CB LYS A 104 -7.800 11.127 4.348 1.00 0.75 C ATOM 1176 CG LYS A 104 -6.333 11.442 4.622 1.00 1.45 C ATOM 1177 CD LYS A 104 -6.169 12.766 5.354 1.00 1.90 C ATOM 1178 CE LYS A 104 -6.575 13.953 4.493 1.00 2.46 C ATOM 1179 NZ LYS A 104 -5.551 14.287 3.466 1.00 3.08 N ATOM 0 H LYS A 104 -10.073 9.825 4.337 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.510 9.562 2.897 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -8.183 11.836 3.614 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -8.371 11.277 5.264 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -5.894 10.641 5.216 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -5.786 11.477 3.680 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -6.772 12.755 6.262 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -5.130 12.882 5.663 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -7.522 13.733 4.000 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -6.742 14.821 5.131 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -5.874 15.102 2.906 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -4.653 14.523 3.935 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -5.409 13.470 2.839 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.360 8.127 4.576 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.704 7.212 5.498 1.00 0.47 C ATOM 1195 C VAL A 105 -4.262 7.636 5.741 1.00 0.40 C ATOM 1196 O VAL A 105 -3.727 8.495 5.034 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.717 5.956 5.069 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -7.137 5.404 5.043 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -5.064 5.827 3.701 1.00 0.94 C ATOM 0 H VAL A 105 -5.850 8.282 3.707 1.00 0.45 H new ATOM 0 HA VAL A 105 -6.271 7.258 6.428 1.00 0.47 H new ATOM 0 HB VAL A 105 -5.132 5.364 5.773 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -7.120 4.374 4.688 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.558 5.435 6.048 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.750 6.008 4.374 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -5.092 4.785 3.381 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.603 6.443 2.981 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -4.028 6.160 3.760 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.653 7.060 6.759 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.263 7.321 7.067 1.00 0.42 C ATOM 1211 C LYS A 106 -1.462 6.063 6.768 1.00 0.40 C ATOM 1212 O LYS A 106 -1.674 5.016 7.381 1.00 0.47 O ATOM 1213 CB LYS A 106 -2.120 7.747 8.533 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.771 8.357 8.871 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.817 9.115 10.190 1.00 0.83 C ATOM 1216 CE LYS A 106 -1.828 10.255 10.143 1.00 1.56 C ATOM 1217 NZ LYS A 106 -1.763 11.114 11.353 1.00 1.69 N ATOM 0 H LYS A 106 -4.106 6.401 7.392 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.882 8.138 6.455 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.903 8.468 8.769 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.284 6.878 9.171 1.00 0.48 H new ATOM 0 HG2 LYS A 106 -0.019 7.570 8.928 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.465 9.033 8.072 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -1.077 8.429 10.996 1.00 0.83 H new ATOM 0 HD3 LYS A 106 0.172 9.513 10.417 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -1.645 10.864 9.257 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -2.833 9.843 10.045 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -2.468 11.875 11.277 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 -1.963 10.540 12.197 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 -0.813 11.529 11.434 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.549 6.168 5.820 1.00 0.37 N ATOM 1232 CA VAL A 107 0.116 5.012 5.273 1.00 0.42 C ATOM 1233 C VAL A 107 1.526 4.912 5.826 1.00 0.40 C ATOM 1234 O VAL A 107 2.331 5.832 5.676 1.00 0.54 O ATOM 1235 CB VAL A 107 0.154 5.079 3.949 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.874 3.873 3.354 1.00 1.26 C ATOM 1237 CG2 VAL A 107 -1.249 5.198 3.371 1.00 1.27 C ATOM 0 H VAL A 107 -0.252 7.055 5.413 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.445 4.123 5.561 1.00 0.42 H new ATOM 0 HB VAL A 107 0.715 5.974 3.681 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.888 3.957 2.267 1.00 1.26 H new ATOM 0 HG12 VAL A 107 1.897 3.839 3.729 1.00 1.26 H new ATOM 0 HG13 VAL A 107 0.352 2.960 3.640 1.00 1.26 H new ATOM 0 HG21 VAL A 107 -1.191 5.251 2.284 1.00 1.27 H new ATOM 0 HG22 VAL A 107 -1.837 4.327 3.661 1.00 1.27 H new ATOM 0 HG23 VAL A 107 -1.725 6.101 3.754 1.00 1.27 H new ATOM 1247 N HIS A 108 1.807 3.806 6.489 1.00 0.34 N ATOM 1248 CA HIS A 108 3.118 3.581 7.053 1.00 0.34 C ATOM 1249 C HIS A 108 3.871 2.587 6.184 1.00 0.32 C ATOM 1250 O HIS A 108 3.543 1.407 6.145 1.00 0.44 O ATOM 1251 CB HIS A 108 3.003 3.068 8.495 1.00 0.45 C ATOM 1252 CG HIS A 108 4.303 3.052 9.245 1.00 0.53 C ATOM 1253 ND1 HIS A 108 4.592 2.129 10.225 1.00 0.97 N ATOM 1254 CD2 HIS A 108 5.380 3.872 9.175 1.00 0.54 C ATOM 1255 CE1 HIS A 108 5.787 2.381 10.726 1.00 1.02 C ATOM 1256 NE2 HIS A 108 6.287 3.430 10.104 1.00 0.68 N ATOM 0 H HIS A 108 1.141 3.050 6.649 1.00 0.34 H new ATOM 0 HA HIS A 108 3.668 4.522 7.079 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.292 3.692 9.036 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.593 2.058 8.478 1.00 0.45 H new ATOM 0 HD2 HIS A 108 5.501 4.716 8.512 1.00 0.54 H new ATOM 0 HE1 HIS A 108 6.273 1.822 11.512 1.00 1.02 H new ATOM 0 HE2 HIS A 108 7.201 3.846 10.284 1.00 0.68 H new ATOM 1265 N MET A 109 4.868 3.086 5.483 1.00 0.30 N ATOM 1266 CA MET A 109 5.667 2.271 4.578 1.00 0.39 C ATOM 1267 C MET A 109 6.988 1.928 5.250 1.00 0.34 C ATOM 1268 O MET A 109 7.632 2.806 5.820 1.00 0.45 O ATOM 1269 CB MET A 109 5.917 3.045 3.277 1.00 0.65 C ATOM 1270 CG MET A 109 6.742 2.292 2.248 1.00 0.87 C ATOM 1271 SD MET A 109 5.884 0.856 1.583 1.00 2.22 S ATOM 1272 CE MET A 109 4.537 1.647 0.706 1.00 2.49 C ATOM 0 H MET A 109 5.151 4.065 5.521 1.00 0.30 H new ATOM 0 HA MET A 109 5.136 1.349 4.341 1.00 0.39 H new ATOM 0 HB2 MET A 109 4.956 3.307 2.834 1.00 0.65 H new ATOM 0 HB3 MET A 109 6.423 3.980 3.516 1.00 0.65 H new ATOM 0 HG2 MET A 109 7.000 2.966 1.431 1.00 0.87 H new ATOM 0 HG3 MET A 109 7.679 1.971 2.704 1.00 0.87 H new ATOM 0 HE1 MET A 109 4.074 0.930 0.028 1.00 2.49 H new ATOM 0 HE2 MET A 109 3.795 2.001 1.422 1.00 2.49 H new ATOM 0 HE3 MET A 109 4.921 2.492 0.134 1.00 2.49 H new ATOM 1282 N LYS A 110 7.385 0.662 5.203 1.00 0.32 N ATOM 1283 CA LYS A 110 8.577 0.219 5.914 1.00 0.35 C ATOM 1284 C LYS A 110 9.390 -0.721 5.051 1.00 0.32 C ATOM 1285 O LYS A 110 8.858 -1.665 4.495 1.00 0.45 O ATOM 1286 CB LYS A 110 8.213 -0.506 7.211 1.00 0.50 C ATOM 1287 CG LYS A 110 7.671 0.394 8.305 1.00 0.97 C ATOM 1288 CD LYS A 110 7.469 -0.382 9.595 1.00 0.91 C ATOM 1289 CE LYS A 110 8.777 -0.984 10.087 1.00 1.31 C ATOM 1290 NZ LYS A 110 8.585 -1.820 11.300 1.00 1.57 N ATOM 0 H LYS A 110 6.902 -0.071 4.684 1.00 0.32 H new ATOM 0 HA LYS A 110 9.160 1.109 6.151 1.00 0.35 H new ATOM 0 HB2 LYS A 110 7.471 -1.272 6.988 1.00 0.50 H new ATOM 0 HB3 LYS A 110 9.098 -1.019 7.586 1.00 0.50 H new ATOM 0 HG2 LYS A 110 8.361 1.220 8.477 1.00 0.97 H new ATOM 0 HG3 LYS A 110 6.724 0.831 7.987 1.00 0.97 H new ATOM 0 HD2 LYS A 110 7.060 0.279 10.359 1.00 0.91 H new ATOM 0 HD3 LYS A 110 6.739 -1.175 9.435 1.00 0.91 H new ATOM 0 HE2 LYS A 110 9.217 -1.590 9.295 1.00 1.31 H new ATOM 0 HE3 LYS A 110 9.484 -0.184 10.307 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 9.501 -2.210 11.601 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 8.189 -1.237 12.065 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 7.931 -2.599 11.085 1.00 1.57 H new ATOM 1304 N LYS A 111 10.675 -0.481 4.960 1.00 0.37 N ATOM 1305 CA LYS A 111 11.531 -1.293 4.122 1.00 0.38 C ATOM 1306 C LYS A 111 12.102 -2.463 4.904 1.00 0.43 C ATOM 1307 O LYS A 111 12.754 -2.283 5.935 1.00 0.60 O ATOM 1308 CB LYS A 111 12.678 -0.456 3.551 1.00 0.49 C ATOM 1309 CG LYS A 111 13.530 -1.219 2.553 1.00 0.56 C ATOM 1310 CD LYS A 111 14.792 -0.466 2.172 1.00 1.03 C ATOM 1311 CE LYS A 111 15.710 -1.337 1.330 1.00 1.49 C ATOM 1312 NZ LYS A 111 16.981 -0.647 0.991 1.00 2.13 N ATOM 0 H LYS A 111 11.154 0.271 5.456 1.00 0.37 H new ATOM 0 HA LYS A 111 10.924 -1.677 3.302 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.268 0.430 3.067 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.309 -0.109 4.369 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.801 -2.186 2.976 1.00 0.56 H new ATOM 0 HG3 LYS A 111 12.944 -1.417 1.656 1.00 0.56 H new ATOM 0 HD2 LYS A 111 14.529 0.435 1.617 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.315 -0.145 3.073 1.00 1.03 H new ATOM 0 HE2 LYS A 111 15.931 -2.258 1.870 1.00 1.49 H new ATOM 0 HE3 LYS A 111 15.197 -1.622 0.412 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 17.207 -0.808 -0.011 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 16.879 0.374 1.163 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 17.749 -1.023 1.584 1.00 2.13 H new ATOM 1326 N ALA A 112 11.850 -3.656 4.401 1.00 0.44 N ATOM 1327 CA ALA A 112 12.412 -4.864 4.966 1.00 0.59 C ATOM 1328 C ALA A 112 13.329 -5.502 3.936 1.00 0.92 C ATOM 1329 O ALA A 112 13.560 -4.926 2.872 1.00 1.57 O ATOM 1330 CB ALA A 112 11.303 -5.825 5.376 1.00 0.96 C ATOM 0 H ALA A 112 11.251 -3.813 3.591 1.00 0.44 H new ATOM 0 HA ALA A 112 12.986 -4.622 5.861 1.00 0.59 H new ATOM 0 HB1 ALA A 112 11.742 -6.728 5.799 1.00 0.96 H new ATOM 0 HB2 ALA A 112 10.666 -5.348 6.121 1.00 0.96 H new ATOM 0 HB3 ALA A 112 10.707 -6.087 4.502 1.00 0.96 H new ATOM 1336 N LEU A 113 13.861 -6.670 4.237 1.00 1.01 N ATOM 1337 CA LEU A 113 14.648 -7.390 3.256 1.00 1.49 C ATOM 1338 C LEU A 113 13.697 -8.190 2.367 1.00 1.26 C ATOM 1339 O LEU A 113 13.151 -7.646 1.406 1.00 2.05 O ATOM 1340 CB LEU A 113 15.691 -8.276 3.945 1.00 2.52 C ATOM 1341 CG LEU A 113 16.673 -8.984 3.015 1.00 3.38 C ATOM 1342 CD1 LEU A 113 17.429 -7.974 2.162 1.00 3.91 C ATOM 1343 CD2 LEU A 113 17.643 -9.831 3.824 1.00 4.41 C ATOM 0 H LEU A 113 13.765 -7.135 5.140 1.00 1.01 H new ATOM 0 HA LEU A 113 15.206 -6.694 2.629 1.00 1.49 H new ATOM 0 HB2 LEU A 113 16.259 -7.662 4.644 1.00 2.52 H new ATOM 0 HB3 LEU A 113 15.169 -9.030 4.535 1.00 2.52 H new ATOM 0 HG LEU A 113 16.110 -9.638 2.349 1.00 3.38 H new ATOM 0 HD11 LEU A 113 18.124 -8.499 1.506 1.00 3.91 H new ATOM 0 HD12 LEU A 113 16.721 -7.405 1.560 1.00 3.91 H new ATOM 0 HD13 LEU A 113 17.984 -7.294 2.809 1.00 3.91 H new ATOM 0 HD21 LEU A 113 18.339 -10.331 3.150 1.00 4.41 H new ATOM 0 HD22 LEU A 113 18.199 -9.192 4.510 1.00 4.41 H new ATOM 0 HD23 LEU A 113 17.088 -10.578 4.392 1.00 4.41 H new ATOM 1355 N SER A 114 13.482 -9.461 2.701 1.00 1.21 N ATOM 1356 CA SER A 114 12.391 -10.249 2.131 1.00 1.56 C ATOM 1357 C SER A 114 12.368 -10.202 0.597 1.00 1.72 C ATOM 1358 O SER A 114 11.299 -10.097 -0.012 1.00 2.36 O ATOM 1359 CB SER A 114 11.072 -9.722 2.693 1.00 2.13 C ATOM 1360 OG SER A 114 11.162 -9.533 4.098 1.00 2.55 O ATOM 0 H SER A 114 14.056 -9.972 3.371 1.00 1.21 H new ATOM 0 HA SER A 114 12.542 -11.293 2.407 1.00 1.56 H new ATOM 0 HB2 SER A 114 10.817 -8.779 2.210 1.00 2.13 H new ATOM 0 HB3 SER A 114 10.269 -10.423 2.467 1.00 2.13 H new ATOM 0 HG SER A 114 10.308 -9.194 4.438 1.00 2.55 H new ATOM 1366 N GLY A 115 13.539 -10.297 -0.020 1.00 1.73 N ATOM 1367 CA GLY A 115 13.620 -10.246 -1.469 1.00 2.05 C ATOM 1368 C GLY A 115 13.298 -8.871 -2.020 1.00 1.87 C ATOM 1369 O GLY A 115 12.644 -8.750 -3.058 1.00 2.62 O ATOM 0 H GLY A 115 14.434 -10.408 0.456 1.00 1.73 H new ATOM 0 HA2 GLY A 115 14.623 -10.534 -1.784 1.00 2.05 H new ATOM 0 HA3 GLY A 115 12.930 -10.975 -1.894 1.00 2.05 H new ATOM 1373 N ASP A 116 13.749 -7.842 -1.305 1.00 1.38 N ATOM 1374 CA ASP A 116 13.559 -6.446 -1.703 1.00 1.29 C ATOM 1375 C ASP A 116 12.085 -6.058 -1.711 1.00 1.01 C ATOM 1376 O ASP A 116 11.517 -5.737 -2.759 1.00 1.32 O ATOM 1377 CB ASP A 116 14.188 -6.159 -3.073 1.00 1.58 C ATOM 1378 CG ASP A 116 15.703 -6.160 -3.031 1.00 2.09 C ATOM 1379 OD1 ASP A 116 16.309 -7.237 -3.206 1.00 2.76 O ATOM 1380 OD2 ASP A 116 16.295 -5.079 -2.825 1.00 2.42 O ATOM 0 H ASP A 116 14.259 -7.952 -0.429 1.00 1.38 H new ATOM 0 HA ASP A 116 14.068 -5.836 -0.957 1.00 1.29 H new ATOM 0 HB2 ASP A 116 13.848 -6.907 -3.789 1.00 1.58 H new ATOM 0 HB3 ASP A 116 13.839 -5.191 -3.433 1.00 1.58 H new ATOM 1385 N SER A 117 11.468 -6.087 -0.538 1.00 0.60 N ATOM 1386 CA SER A 117 10.086 -5.687 -0.390 1.00 0.36 C ATOM 1387 C SER A 117 9.894 -4.871 0.887 1.00 0.34 C ATOM 1388 O SER A 117 10.748 -4.872 1.775 1.00 0.54 O ATOM 1389 CB SER A 117 9.163 -6.908 -0.402 1.00 0.35 C ATOM 1390 OG SER A 117 9.611 -7.899 0.509 1.00 1.07 O ATOM 0 H SER A 117 11.913 -6.387 0.329 1.00 0.60 H new ATOM 0 HA SER A 117 9.821 -5.056 -1.238 1.00 0.36 H new ATOM 0 HB2 SER A 117 8.149 -6.603 -0.142 1.00 0.35 H new ATOM 0 HB3 SER A 117 9.122 -7.327 -1.408 1.00 0.35 H new ATOM 0 HG SER A 117 10.187 -8.538 0.040 1.00 1.07 H new ATOM 1396 N TYR A 118 8.771 -4.175 0.973 1.00 0.22 N ATOM 1397 CA TYR A 118 8.489 -3.280 2.058 1.00 0.24 C ATOM 1398 C TYR A 118 7.185 -3.715 2.699 1.00 0.24 C ATOM 1399 O TYR A 118 6.345 -4.344 2.050 1.00 0.26 O ATOM 1400 CB TYR A 118 8.359 -1.852 1.518 1.00 0.30 C ATOM 1401 CG TYR A 118 9.356 -1.548 0.429 1.00 0.32 C ATOM 1402 CD1 TYR A 118 9.010 -1.651 -0.907 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.637 -1.130 0.746 1.00 0.57 C ATOM 1404 CE1 TYR A 118 9.916 -1.344 -1.904 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.550 -0.825 -0.242 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.194 -1.044 -1.590 1.00 0.67 C ATOM 1407 OH TYR A 118 12.092 -0.617 -2.551 1.00 0.86 O ATOM 0 H TYR A 118 8.027 -4.224 0.277 1.00 0.22 H new ATOM 0 HA TYR A 118 9.292 -3.303 2.795 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.350 -1.704 1.133 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.494 -1.145 2.336 1.00 0.30 H new ATOM 0 HD1 TYR A 118 8.016 -1.977 -1.175 1.00 0.42 H new ATOM 0 HD2 TYR A 118 10.926 -1.041 1.783 1.00 0.57 H new ATOM 0 HE1 TYR A 118 9.601 -1.344 -2.937 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.521 -0.425 0.012 1.00 0.72 H new ATOM 0 HH TYR A 118 12.962 -0.449 -2.133 1.00 0.86 H new ATOM 1417 N TRP A 119 7.018 -3.385 3.953 1.00 0.27 N ATOM 1418 CA TRP A 119 5.791 -3.666 4.651 1.00 0.30 C ATOM 1419 C TRP A 119 4.995 -2.387 4.775 1.00 0.33 C ATOM 1420 O TRP A 119 5.378 -1.475 5.510 1.00 0.38 O ATOM 1421 CB TRP A 119 6.078 -4.255 6.033 1.00 0.36 C ATOM 1422 CG TRP A 119 6.388 -5.720 5.995 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.619 -6.304 5.895 1.00 0.48 C ATOM 1424 CD2 TRP A 119 5.439 -6.790 6.054 1.00 0.42 C ATOM 1425 NE1 TRP A 119 7.493 -7.672 5.888 1.00 0.52 N ATOM 1426 CE2 TRP A 119 6.162 -7.995 5.985 1.00 0.48 C ATOM 1427 CE3 TRP A 119 4.044 -6.845 6.160 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 5.537 -9.241 6.017 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 3.426 -8.079 6.191 1.00 0.63 C ATOM 1430 CH2 TRP A 119 4.172 -9.263 6.121 1.00 0.62 C ATOM 0 H TRP A 119 7.726 -2.916 4.518 1.00 0.27 H new ATOM 0 HA TRP A 119 5.215 -4.402 4.090 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.918 -3.724 6.480 1.00 0.36 H new ATOM 0 HB3 TRP A 119 5.215 -4.089 6.678 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.555 -5.768 5.831 1.00 0.48 H new ATOM 0 HE1 TRP A 119 8.262 -8.339 5.822 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.461 -5.937 6.217 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 6.109 -10.156 5.962 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 2.350 -8.133 6.270 1.00 0.63 H new ATOM 0 HH2 TRP A 119 3.659 -10.213 6.150 1.00 0.62 H new ATOM 1441 N VAL A 120 3.906 -2.307 4.038 1.00 0.33 N ATOM 1442 CA VAL A 120 3.072 -1.129 4.092 1.00 0.37 C ATOM 1443 C VAL A 120 1.847 -1.371 4.975 1.00 0.40 C ATOM 1444 O VAL A 120 1.237 -2.441 4.956 1.00 0.55 O ATOM 1445 CB VAL A 120 2.719 -0.724 2.872 1.00 0.40 C ATOM 1446 CG1 VAL A 120 1.851 -1.754 2.157 1.00 0.90 C ATOM 1447 CG2 VAL A 120 2.027 0.624 2.911 1.00 0.91 C ATOM 0 H VAL A 120 3.582 -3.036 3.402 1.00 0.33 H new ATOM 0 HA VAL A 120 3.657 -0.327 4.541 1.00 0.37 H new ATOM 0 HB VAL A 120 3.641 -0.615 2.300 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.587 -1.383 1.167 1.00 0.90 H new ATOM 0 HG12 VAL A 120 2.402 -2.689 2.059 1.00 0.90 H new ATOM 0 HG13 VAL A 120 0.943 -1.928 2.734 1.00 0.90 H new ATOM 0 HG21 VAL A 120 1.754 0.922 1.899 1.00 0.91 H new ATOM 0 HG22 VAL A 120 1.128 0.554 3.524 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.701 1.367 3.339 1.00 0.91 H new ATOM 1457 N PHE A 121 1.567 -0.406 5.832 1.00 0.39 N ATOM 1458 CA PHE A 121 0.476 -0.512 6.778 1.00 0.41 C ATOM 1459 C PHE A 121 -0.512 0.619 6.561 1.00 0.41 C ATOM 1460 O PHE A 121 -0.125 1.783 6.450 1.00 0.49 O ATOM 1461 CB PHE A 121 1.006 -0.469 8.215 1.00 0.48 C ATOM 1462 CG PHE A 121 2.038 -1.522 8.514 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.390 -1.227 8.440 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.655 -2.805 8.866 1.00 0.69 C ATOM 1465 CE1 PHE A 121 4.340 -2.192 8.712 1.00 0.65 C ATOM 1466 CE2 PHE A 121 2.601 -3.776 9.141 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.946 -3.469 9.063 1.00 0.73 C ATOM 0 H PHE A 121 2.088 0.469 5.890 1.00 0.39 H new ATOM 0 HA PHE A 121 -0.029 -1.465 6.619 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.438 0.514 8.404 1.00 0.48 H new ATOM 0 HB3 PHE A 121 0.170 -0.587 8.904 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.705 -0.231 8.166 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.605 -3.051 8.927 1.00 0.69 H new ATOM 0 HE1 PHE A 121 5.390 -1.949 8.650 1.00 0.65 H new ATOM 0 HE2 PHE A 121 2.289 -4.773 9.416 1.00 0.79 H new ATOM 0 HZ PHE A 121 4.687 -4.225 9.276 1.00 0.73 H new ATOM 1477 N VAL A 122 -1.782 0.272 6.513 1.00 0.42 N ATOM 1478 CA VAL A 122 -2.828 1.252 6.301 1.00 0.51 C ATOM 1479 C VAL A 122 -3.533 1.557 7.617 1.00 0.54 C ATOM 1480 O VAL A 122 -4.335 0.759 8.112 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.719 0.820 5.417 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -4.743 1.907 5.105 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -3.045 0.338 4.138 1.00 1.16 C ATOM 0 H VAL A 122 -2.116 -0.686 6.618 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.362 2.158 5.912 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.239 -0.029 5.861 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -5.463 1.531 4.378 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -5.264 2.189 6.020 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -4.234 2.779 4.694 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -3.803 -0.009 3.436 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -2.484 1.159 3.691 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -2.365 -0.481 4.372 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.226 2.718 8.175 1.00 0.52 N ATOM 1494 CA LYS A 123 -3.865 3.177 9.396 1.00 0.66 C ATOM 1495 C LYS A 123 -4.898 4.233 9.043 1.00 0.55 C ATOM 1496 O LYS A 123 -4.556 5.335 8.625 1.00 0.51 O ATOM 1497 CB LYS A 123 -2.826 3.755 10.369 1.00 0.93 C ATOM 1498 CG LYS A 123 -1.844 2.724 10.911 1.00 1.36 C ATOM 1499 CD LYS A 123 -2.549 1.668 11.747 1.00 1.80 C ATOM 1500 CE LYS A 123 -1.579 0.635 12.307 1.00 2.62 C ATOM 1501 NZ LYS A 123 -0.594 1.230 13.249 1.00 3.31 N ATOM 0 H LYS A 123 -2.532 3.363 7.797 1.00 0.52 H new ATOM 0 HA LYS A 123 -4.352 2.334 9.887 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -2.268 4.542 9.863 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -3.347 4.221 11.206 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -1.323 2.245 10.082 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -1.088 3.224 11.516 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -3.077 2.151 12.569 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -3.300 1.166 11.137 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -2.141 -0.146 12.819 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -1.047 0.157 11.484 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -0.047 0.472 13.704 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 0.051 1.857 12.727 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -1.096 1.778 13.976 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.163 3.886 9.196 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.240 4.750 8.744 1.00 0.76 C ATOM 1517 C ARG A 124 -7.474 5.902 9.712 1.00 0.85 C ATOM 1518 O ARG A 124 -7.102 5.831 10.884 1.00 0.96 O ATOM 1519 CB ARG A 124 -8.537 3.957 8.578 1.00 1.03 C ATOM 1520 CG ARG A 124 -9.110 3.442 9.892 1.00 1.58 C ATOM 1521 CD ARG A 124 -10.627 3.470 9.866 1.00 2.10 C ATOM 1522 NE ARG A 124 -11.120 4.814 9.562 1.00 2.55 N ATOM 1523 CZ ARG A 124 -11.958 5.096 8.567 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -12.475 4.117 7.832 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -12.286 6.356 8.317 1.00 4.03 N ATOM 0 H ARG A 124 -6.470 3.015 9.628 1.00 0.67 H new ATOM 0 HA ARG A 124 -6.940 5.160 7.780 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.279 4.589 8.091 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -8.354 3.111 7.915 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -8.764 2.424 10.071 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -8.745 4.053 10.718 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -10.995 2.766 9.120 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -11.017 3.145 10.830 1.00 2.10 H new ATOM 0 HE ARG A 124 -10.801 5.584 10.150 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -12.230 3.147 8.030 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -13.117 4.336 7.070 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -11.896 7.107 8.887 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -12.928 6.574 7.555 1.00 4.03 H new ATOM 1539 N VAL A 125 -8.082 6.965 9.208 1.00 1.06 N ATOM 1540 CA VAL A 125 -8.489 8.081 10.041 1.00 1.33 C ATOM 1541 C VAL A 125 -9.932 7.872 10.487 1.00 2.00 C ATOM 1542 O VAL A 125 -10.849 8.128 9.681 1.00 2.87 O ATOM 1543 CB VAL A 125 -8.383 9.236 9.399 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -8.688 10.404 10.333 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -7.004 9.395 8.776 1.00 2.08 C ATOM 1546 OXT VAL A 125 -10.144 7.409 11.623 1.00 2.26 O ATOM 0 H VAL A 125 -8.305 7.076 8.219 1.00 1.06 H new ATOM 0 HA VAL A 125 -7.827 8.121 10.906 1.00 1.33 H new ATOM 0 HB VAL A 125 -9.118 9.238 8.594 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -8.595 11.342 9.785 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -9.704 10.307 10.717 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -7.984 10.398 11.165 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -6.948 10.352 8.257 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -6.245 9.361 9.558 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -6.830 8.586 8.067 1.00 2.08 H new