USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 827 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 68 LYS NZ :NH3+ -154:sc= -4.99! (180deg=-6.11!) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0.0366 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.195 X(o=0.2,f=-0.013) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0761 USER MOD Single : A 21 SER OG : rot 18:sc= 0.128 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0209) USER MOD Single : A 40 LYS NZ :NH3+ 154:sc= 1.01 (180deg=0.267) USER MOD Single : A 43 LYS NZ :NH3+ 149:sc= -0.187 (180deg=-2.27) USER MOD Single : A 45 LYS NZ :NH3+ -141:sc= 0.494 (180deg=-0.0615) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= 0.673 (180deg=0.601) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 56 HIS : no HD1:sc= -2.83! K(o=-2.8!,f=-0.24) USER MOD Single : A 58 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.2) USER MOD Single : A 60 HIS : no HD1:sc= -2.7! K(o=-2.7!,f=-0.53) USER MOD Single : A 62 SER OG : rot 149:sc= 1.26 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.982 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 99:sc= 0.0436 USER MOD Single : A 80 GLN : amide:sc= 0.649 K(o=0.65,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 30:sc= -1.14 USER MOD Single : A 89 CYS SG : rot 109:sc= 2 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -31:sc= -3 USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= -2.5! (180deg=-3.3!) USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= 1.27 (180deg=0.859) USER MOD Single : A 99 CYS SG : rot 180:sc= -2.51! USER MOD Single : A 100 SER OG : rot -138:sc= -0.635 USER MOD Single : A 101 ASN : amide:sc= 0.0969 X(o=0.097,f=-0.39) USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= -0.969 K(o=-0.97,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -19.295 -8.240 -1.537 1.00 0.70 N ATOM 14 CA ASP A 2 -20.259 -7.793 -2.501 1.00 0.72 C ATOM 15 C ASP A 2 -19.558 -7.282 -3.755 1.00 0.70 C ATOM 16 O ASP A 2 -18.331 -7.163 -3.760 1.00 0.75 O ATOM 17 CB ASP A 2 -21.018 -6.673 -1.847 1.00 0.79 C ATOM 18 CG ASP A 2 -21.990 -7.150 -0.792 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.138 -7.468 -1.157 1.00 1.11 O ATOM 20 OD2 ASP A 2 -21.605 -7.234 0.389 1.00 1.65 O ATOM 0 HA ASP A 2 -20.921 -8.605 -2.802 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.310 -5.979 -1.393 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.563 -6.118 -2.610 1.00 0.79 H new ATOM 25 N PRO A 3 -20.304 -6.931 -4.819 1.00 0.71 N ATOM 26 CA PRO A 3 -19.715 -6.421 -6.069 1.00 0.72 C ATOM 27 C PRO A 3 -19.183 -4.989 -5.962 1.00 0.66 C ATOM 28 O PRO A 3 -19.254 -4.210 -6.914 1.00 0.97 O ATOM 29 CB PRO A 3 -20.874 -6.498 -7.062 1.00 0.84 C ATOM 30 CG PRO A 3 -22.097 -6.379 -6.223 1.00 0.94 C ATOM 31 CD PRO A 3 -21.772 -7.040 -4.911 1.00 0.81 C ATOM 0 HA PRO A 3 -18.840 -7.002 -6.359 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -20.819 -5.696 -7.798 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -20.862 -7.438 -7.613 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -22.368 -5.333 -6.076 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -22.947 -6.864 -6.703 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.264 -6.539 -4.077 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.098 -8.080 -4.895 1.00 0.81 H new ATOM 39 N ILE A 4 -18.628 -4.682 -4.801 1.00 0.45 N ATOM 40 CA ILE A 4 -17.879 -3.454 -4.565 1.00 0.41 C ATOM 41 C ILE A 4 -16.723 -3.358 -5.543 1.00 0.41 C ATOM 42 O ILE A 4 -16.635 -2.433 -6.345 1.00 0.50 O ATOM 43 CB ILE A 4 -17.327 -3.459 -3.120 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.366 -2.929 -2.136 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.032 -2.672 -2.974 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.422 -3.938 -1.790 1.00 0.46 C ATOM 0 H ILE A 4 -18.685 -5.287 -3.982 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.540 -2.599 -4.705 1.00 0.41 H new ATOM 0 HB ILE A 4 -17.102 -4.500 -2.888 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.863 -2.611 -1.223 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.842 -2.046 -2.561 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.696 -2.713 -1.938 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.269 -3.104 -3.621 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.203 -1.634 -3.259 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.129 -3.498 -1.087 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.950 -4.238 -2.696 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.955 -4.812 -1.336 1.00 0.46 H new ATOM 58 N GLY A 5 -15.843 -4.339 -5.466 1.00 0.36 N ATOM 59 CA GLY A 5 -14.649 -4.309 -6.273 1.00 0.39 C ATOM 60 C GLY A 5 -13.572 -3.582 -5.533 1.00 0.33 C ATOM 61 O GLY A 5 -12.890 -2.717 -6.076 1.00 0.33 O ATOM 0 H GLY A 5 -15.935 -5.154 -4.860 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.326 -5.324 -6.504 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.851 -3.815 -7.223 1.00 0.39 H new ATOM 65 N LEU A 6 -13.464 -3.954 -4.267 1.00 0.32 N ATOM 66 CA LEU A 6 -12.593 -3.320 -3.299 1.00 0.29 C ATOM 67 C LEU A 6 -11.213 -3.114 -3.883 1.00 0.29 C ATOM 68 O LEU A 6 -10.618 -2.044 -3.760 1.00 0.33 O ATOM 69 CB LEU A 6 -12.532 -4.226 -2.079 1.00 0.29 C ATOM 70 CG LEU A 6 -12.469 -3.534 -0.720 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.619 -2.554 -0.539 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.499 -4.579 0.371 1.00 0.28 C ATOM 0 H LEU A 6 -13.998 -4.730 -3.876 1.00 0.32 H new ATOM 0 HA LEU A 6 -12.977 -2.338 -3.023 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.408 -4.875 -2.091 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.658 -4.870 -2.175 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.541 -2.965 -0.664 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.542 -2.080 0.439 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.573 -1.791 -1.316 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.567 -3.088 -0.610 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.454 -4.090 1.344 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.421 -5.156 0.297 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.644 -5.246 0.260 1.00 0.28 H new ATOM 84 N PHE A 7 -10.731 -4.136 -4.556 1.00 0.30 N ATOM 85 CA PHE A 7 -9.461 -4.065 -5.218 1.00 0.32 C ATOM 86 C PHE A 7 -9.632 -3.573 -6.644 1.00 0.29 C ATOM 87 O PHE A 7 -9.757 -4.353 -7.596 1.00 0.32 O ATOM 88 CB PHE A 7 -8.778 -5.418 -5.175 1.00 0.41 C ATOM 89 CG PHE A 7 -7.503 -5.402 -4.392 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.416 -4.716 -3.191 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.390 -6.073 -4.857 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.240 -4.698 -2.473 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.217 -6.060 -4.145 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.140 -5.373 -2.953 1.00 0.61 C ATOM 0 H PHE A 7 -11.210 -5.031 -4.655 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.826 -3.349 -4.697 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.458 -6.149 -4.737 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.569 -5.746 -6.193 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.280 -4.189 -2.813 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.443 -6.614 -5.790 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.181 -4.158 -1.540 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.353 -6.589 -4.519 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.216 -5.364 -2.394 1.00 0.61 H new ATOM 104 N VAL A 8 -9.667 -2.264 -6.758 1.00 0.28 N ATOM 105 CA VAL A 8 -9.788 -1.589 -8.040 1.00 0.34 C ATOM 106 C VAL A 8 -8.476 -1.707 -8.806 1.00 0.44 C ATOM 107 O VAL A 8 -8.453 -2.058 -9.985 1.00 0.63 O ATOM 108 CB VAL A 8 -10.145 -0.099 -7.842 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.537 0.555 -9.159 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.257 0.044 -6.811 1.00 0.33 C ATOM 0 H VAL A 8 -9.612 -1.630 -5.961 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.588 -2.063 -8.609 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.259 0.417 -7.471 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.782 1.603 -8.986 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.705 0.488 -9.860 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.405 0.043 -9.575 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.499 1.099 -6.681 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.142 -0.492 -7.154 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -10.927 -0.373 -5.859 1.00 0.33 H new ATOM 120 N MET A 9 -7.387 -1.426 -8.111 1.00 0.43 N ATOM 121 CA MET A 9 -6.052 -1.614 -8.652 1.00 0.65 C ATOM 122 C MET A 9 -5.090 -1.867 -7.516 1.00 0.44 C ATOM 123 O MET A 9 -5.103 -1.157 -6.510 1.00 0.44 O ATOM 124 CB MET A 9 -5.587 -0.405 -9.450 1.00 1.05 C ATOM 125 CG MET A 9 -4.232 -0.613 -10.105 1.00 1.45 C ATOM 126 SD MET A 9 -4.237 -1.959 -11.309 1.00 2.35 S ATOM 127 CE MET A 9 -2.521 -1.963 -11.831 1.00 2.88 C ATOM 0 H MET A 9 -7.403 -1.062 -7.158 1.00 0.43 H new ATOM 0 HA MET A 9 -6.079 -2.468 -9.329 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.325 -0.178 -10.219 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.537 0.462 -8.791 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.927 0.309 -10.599 1.00 1.45 H new ATOM 0 HG3 MET A 9 -3.490 -0.823 -9.335 1.00 1.45 H new ATOM 0 HE1 MET A 9 -2.369 -2.744 -12.576 1.00 2.88 H new ATOM 0 HE2 MET A 9 -2.270 -0.995 -12.264 1.00 2.88 H new ATOM 0 HE3 MET A 9 -1.879 -2.153 -10.971 1.00 2.88 H new ATOM 137 N ARG A 10 -4.261 -2.876 -7.682 1.00 0.47 N ATOM 138 CA ARG A 10 -3.320 -3.262 -6.659 1.00 0.41 C ATOM 139 C ARG A 10 -1.935 -2.740 -6.983 1.00 0.39 C ATOM 140 O ARG A 10 -1.491 -2.803 -8.130 1.00 0.45 O ATOM 141 CB ARG A 10 -3.272 -4.782 -6.480 1.00 0.46 C ATOM 142 CG ARG A 10 -3.134 -5.578 -7.768 1.00 0.97 C ATOM 143 CD ARG A 10 -4.490 -5.984 -8.320 1.00 1.34 C ATOM 144 NE ARG A 10 -4.363 -6.838 -9.497 1.00 2.11 N ATOM 145 CZ ARG A 10 -5.005 -7.993 -9.652 1.00 2.72 C ATOM 146 NH1 ARG A 10 -5.807 -8.454 -8.697 1.00 2.74 N ATOM 147 NH2 ARG A 10 -4.832 -8.699 -10.761 1.00 3.67 N ATOM 0 H ARG A 10 -4.222 -3.447 -8.526 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.661 -2.820 -5.723 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.435 -5.029 -5.827 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.180 -5.101 -5.969 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -2.602 -4.982 -8.510 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -2.533 -6.469 -7.584 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -5.054 -6.509 -7.549 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -5.059 -5.091 -8.579 1.00 1.34 H new ATOM 0 HE ARG A 10 -3.744 -6.530 -10.247 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -5.934 -7.921 -7.837 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -6.295 -9.340 -8.825 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -4.208 -8.356 -11.492 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -5.322 -9.585 -10.883 1.00 3.67 H new ATOM 161 N PRO A 11 -1.247 -2.203 -5.975 1.00 0.43 N ATOM 162 CA PRO A 11 0.121 -1.738 -6.132 1.00 0.50 C ATOM 163 C PRO A 11 1.053 -2.889 -6.481 1.00 0.47 C ATOM 164 O PRO A 11 0.765 -4.051 -6.182 1.00 0.54 O ATOM 165 CB PRO A 11 0.487 -1.132 -4.777 1.00 0.62 C ATOM 166 CG PRO A 11 -0.589 -1.521 -3.827 1.00 0.64 C ATOM 167 CD PRO A 11 -1.769 -2.005 -4.618 1.00 0.53 C ATOM 0 HA PRO A 11 0.216 -1.017 -6.944 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.455 -1.501 -4.437 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.567 -0.047 -4.848 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.237 -2.303 -3.155 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.872 -0.671 -3.206 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -2.168 -2.932 -4.207 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.580 -1.276 -4.607 1.00 0.53 H new ATOM 175 N GLN A 12 2.157 -2.567 -7.125 1.00 0.44 N ATOM 176 CA GLN A 12 3.064 -3.567 -7.626 1.00 0.43 C ATOM 177 C GLN A 12 4.435 -3.407 -7.004 1.00 0.37 C ATOM 178 O GLN A 12 4.675 -2.461 -6.257 1.00 0.40 O ATOM 179 CB GLN A 12 3.137 -3.446 -9.137 1.00 0.55 C ATOM 180 CG GLN A 12 1.809 -3.737 -9.809 1.00 0.73 C ATOM 181 CD GLN A 12 1.451 -5.215 -9.798 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.748 -5.941 -10.749 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.842 -5.680 -8.716 1.00 1.32 N ATOM 0 H GLN A 12 2.445 -1.607 -7.313 1.00 0.44 H new ATOM 0 HA GLN A 12 2.699 -4.559 -7.359 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.462 -2.440 -9.402 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.891 -4.135 -9.517 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.022 -3.174 -9.307 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.844 -3.385 -10.840 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.612 -5.048 -7.949 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.603 -6.670 -8.651 1.00 1.32 H new ATOM 192 N ASP A 13 5.320 -4.348 -7.305 1.00 0.34 N ATOM 193 CA ASP A 13 6.640 -4.377 -6.805 1.00 0.33 C ATOM 194 C ASP A 13 7.479 -3.248 -7.366 1.00 0.36 C ATOM 195 O ASP A 13 7.017 -2.128 -7.606 1.00 0.50 O ATOM 196 CB ASP A 13 7.231 -5.719 -7.228 1.00 0.35 C ATOM 197 CG ASP A 13 7.072 -5.996 -8.712 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.988 -6.458 -9.124 1.00 1.03 O ATOM 199 OD2 ASP A 13 8.038 -5.765 -9.472 1.00 2.06 O ATOM 0 H ASP A 13 5.107 -5.128 -7.927 1.00 0.34 H new ATOM 0 HA ASP A 13 6.633 -4.255 -5.722 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.290 -5.740 -6.972 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.750 -6.516 -6.662 1.00 0.35 H new ATOM 204 N GLY A 14 8.707 -3.591 -7.606 1.00 0.30 N ATOM 205 CA GLY A 14 9.678 -2.642 -8.053 1.00 0.30 C ATOM 206 C GLY A 14 11.049 -2.956 -7.526 1.00 0.25 C ATOM 207 O GLY A 14 11.231 -3.316 -6.367 1.00 0.28 O ATOM 0 H GLY A 14 9.065 -4.540 -7.497 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.701 -2.632 -9.143 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.385 -1.643 -7.731 1.00 0.30 H new ATOM 211 N GLU A 15 12.001 -2.824 -8.399 1.00 0.26 N ATOM 212 CA GLU A 15 13.402 -2.996 -8.059 1.00 0.25 C ATOM 213 C GLU A 15 14.075 -1.650 -8.108 1.00 0.23 C ATOM 214 O GLU A 15 14.158 -1.037 -9.171 1.00 0.30 O ATOM 215 CB GLU A 15 14.113 -3.923 -9.037 1.00 0.33 C ATOM 216 CG GLU A 15 13.570 -5.332 -9.088 1.00 0.69 C ATOM 217 CD GLU A 15 14.441 -6.221 -9.938 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.512 -6.642 -9.449 1.00 1.48 O ATOM 219 OE2 GLU A 15 14.075 -6.478 -11.103 1.00 1.53 O ATOM 0 H GLU A 15 11.838 -2.592 -9.379 1.00 0.26 H new ATOM 0 HA GLU A 15 13.458 -3.438 -7.064 1.00 0.25 H new ATOM 0 HB2 GLU A 15 14.052 -3.490 -10.035 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.169 -3.966 -8.772 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.508 -5.737 -8.078 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.557 -5.320 -9.489 1.00 0.69 H new ATOM 226 N VAL A 16 14.561 -1.184 -6.977 1.00 0.20 N ATOM 227 CA VAL A 16 15.102 0.107 -6.894 1.00 0.21 C ATOM 228 C VAL A 16 16.349 0.028 -6.057 1.00 0.22 C ATOM 229 O VAL A 16 16.514 -0.867 -5.237 1.00 0.27 O ATOM 230 CB VAL A 16 14.110 1.101 -6.279 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.706 0.892 -6.833 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.128 1.037 -4.757 1.00 0.23 C ATOM 0 H VAL A 16 14.581 -1.709 -6.103 1.00 0.20 H new ATOM 0 HA VAL A 16 15.329 0.469 -7.897 1.00 0.21 H new ATOM 0 HB VAL A 16 14.428 2.104 -6.563 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.025 1.611 -6.378 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.716 1.035 -7.914 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.371 -0.120 -6.604 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.413 1.755 -4.354 1.00 0.23 H new ATOM 0 HG22 VAL A 16 13.856 0.033 -4.432 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.127 1.278 -4.394 1.00 0.23 H new ATOM 242 N THR A 17 17.213 0.933 -6.302 1.00 0.23 N ATOM 243 CA THR A 17 18.474 1.022 -5.603 1.00 0.27 C ATOM 244 C THR A 17 18.277 1.780 -4.292 1.00 0.28 C ATOM 245 O THR A 17 17.324 2.562 -4.166 1.00 0.28 O ATOM 246 CB THR A 17 19.496 1.773 -6.475 1.00 0.35 C ATOM 247 OG1 THR A 17 19.017 1.812 -7.828 1.00 0.77 O ATOM 248 CG2 THR A 17 20.869 1.113 -6.445 1.00 0.56 C ATOM 0 H THR A 17 17.080 1.659 -7.006 1.00 0.23 H new ATOM 0 HA THR A 17 18.842 0.017 -5.394 1.00 0.27 H new ATOM 0 HB THR A 17 19.605 2.781 -6.074 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.662 2.290 -8.390 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.558 1.677 -7.074 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.243 1.097 -5.421 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.790 0.092 -6.818 1.00 0.56 H new ATOM 256 N VAL A 18 19.153 1.560 -3.317 1.00 0.31 N ATOM 257 CA VAL A 18 19.118 2.338 -2.100 1.00 0.35 C ATOM 258 C VAL A 18 19.532 3.728 -2.441 1.00 0.36 C ATOM 259 O VAL A 18 20.695 4.042 -2.712 1.00 0.39 O ATOM 260 CB VAL A 18 20.047 1.859 -0.987 1.00 0.44 C ATOM 261 CG1 VAL A 18 19.710 2.537 0.339 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.019 0.353 -0.839 1.00 0.78 C ATOM 0 H VAL A 18 19.888 0.853 -3.352 1.00 0.31 H new ATOM 0 HA VAL A 18 18.101 2.248 -1.718 1.00 0.35 H new ATOM 0 HB VAL A 18 21.060 2.143 -1.271 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.387 2.177 1.114 1.00 0.76 H new ATOM 0 HG12 VAL A 18 19.819 3.616 0.234 1.00 0.76 H new ATOM 0 HG13 VAL A 18 18.683 2.302 0.617 1.00 0.76 H new ATOM 0 HG21 VAL A 18 20.693 0.054 -0.037 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.006 0.030 -0.601 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.338 -0.110 -1.773 1.00 0.78 H new ATOM 272 N GLY A 19 18.550 4.524 -2.451 1.00 0.38 N ATOM 273 CA GLY A 19 18.712 5.920 -2.741 1.00 0.45 C ATOM 274 C GLY A 19 17.990 6.332 -4.002 1.00 0.40 C ATOM 275 O GLY A 19 18.273 7.390 -4.560 1.00 0.48 O ATOM 0 H GLY A 19 17.588 4.243 -2.258 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.339 6.508 -1.903 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.773 6.147 -2.842 1.00 0.45 H new ATOM 279 N GLY A 20 17.080 5.494 -4.492 1.00 0.32 N ATOM 280 CA GLY A 20 16.202 5.945 -5.509 1.00 0.32 C ATOM 281 C GLY A 20 14.916 6.352 -4.905 1.00 0.30 C ATOM 282 O GLY A 20 14.841 7.224 -4.052 1.00 0.44 O ATOM 0 H GLY A 20 16.951 4.527 -4.195 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.647 6.785 -6.043 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.038 5.153 -6.240 1.00 0.32 H new ATOM 286 N SER A 21 13.917 5.731 -5.392 1.00 0.24 N ATOM 287 CA SER A 21 12.600 5.823 -4.884 1.00 0.22 C ATOM 288 C SER A 21 11.855 4.563 -5.245 1.00 0.22 C ATOM 289 O SER A 21 12.353 3.720 -5.984 1.00 0.25 O ATOM 290 CB SER A 21 11.891 7.016 -5.467 1.00 0.30 C ATOM 291 OG SER A 21 12.421 8.242 -4.995 1.00 0.82 O ATOM 0 H SER A 21 13.994 5.111 -6.198 1.00 0.24 H new ATOM 0 HA SER A 21 12.638 5.942 -3.801 1.00 0.22 H new ATOM 0 HB2 SER A 21 11.967 6.985 -6.554 1.00 0.30 H new ATOM 0 HB3 SER A 21 10.831 6.962 -5.219 1.00 0.30 H new ATOM 0 HG SER A 21 13.308 8.087 -4.608 1.00 0.82 H new ATOM 297 N ILE A 22 10.682 4.468 -4.718 1.00 0.22 N ATOM 298 CA ILE A 22 9.707 3.524 -5.104 1.00 0.24 C ATOM 299 C ILE A 22 8.368 4.157 -4.882 1.00 0.25 C ATOM 300 O ILE A 22 8.183 5.036 -4.039 1.00 0.27 O ATOM 301 CB ILE A 22 9.797 2.183 -4.370 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.831 1.179 -4.983 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.527 2.312 -2.880 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.168 0.771 -6.402 1.00 0.32 C ATOM 0 H ILE A 22 10.368 5.083 -3.967 1.00 0.22 H new ATOM 0 HA ILE A 22 9.875 3.273 -6.151 1.00 0.24 H new ATOM 0 HB ILE A 22 10.821 1.829 -4.486 1.00 0.25 H new ATOM 0 HG12 ILE A 22 8.808 0.287 -4.357 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.827 1.604 -4.969 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.604 1.332 -2.410 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.259 2.986 -2.435 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.525 2.711 -2.725 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.429 0.054 -6.760 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.161 1.651 -7.045 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.157 0.313 -6.424 1.00 0.32 H new ATOM 316 N THR A 23 7.475 3.741 -5.670 1.00 0.25 N ATOM 317 CA THR A 23 6.142 4.281 -5.645 1.00 0.23 C ATOM 318 C THR A 23 5.129 3.178 -5.775 1.00 0.24 C ATOM 319 O THR A 23 5.158 2.376 -6.713 1.00 0.28 O ATOM 320 CB THR A 23 5.898 5.319 -6.747 1.00 0.26 C ATOM 321 OG1 THR A 23 6.993 6.243 -6.804 1.00 0.31 O ATOM 322 CG2 THR A 23 4.596 6.077 -6.502 1.00 0.24 C ATOM 0 H THR A 23 7.623 3.011 -6.367 1.00 0.25 H new ATOM 0 HA THR A 23 6.033 4.786 -4.685 1.00 0.23 H new ATOM 0 HB THR A 23 5.819 4.793 -7.698 1.00 0.26 H new ATOM 0 HG1 THR A 23 6.829 6.901 -7.511 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.445 6.807 -7.297 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.763 5.375 -6.492 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.649 6.591 -5.542 1.00 0.24 H new ATOM 330 N PHE A 24 4.264 3.140 -4.805 1.00 0.24 N ATOM 331 CA PHE A 24 3.159 2.233 -4.800 1.00 0.27 C ATOM 332 C PHE A 24 1.881 3.039 -4.808 1.00 0.24 C ATOM 333 O PHE A 24 1.826 4.150 -4.286 1.00 0.30 O ATOM 334 CB PHE A 24 3.194 1.339 -3.568 1.00 0.40 C ATOM 335 CG PHE A 24 4.521 0.691 -3.307 1.00 0.33 C ATOM 336 CD1 PHE A 24 5.021 -0.278 -4.158 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.258 1.045 -2.194 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.238 -0.883 -3.902 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.474 0.448 -1.933 1.00 0.51 C ATOM 340 CZ PHE A 24 6.964 -0.519 -2.788 1.00 0.49 C ATOM 0 H PHE A 24 4.308 3.746 -3.986 1.00 0.24 H new ATOM 0 HA PHE A 24 3.214 1.594 -5.681 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.916 1.932 -2.697 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.439 0.560 -3.678 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.455 -0.565 -5.032 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.878 1.798 -1.520 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.619 -1.639 -4.573 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.042 0.737 -1.061 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.915 -0.990 -2.584 1.00 0.49 H new ATOM 350 N SER A 25 0.884 2.490 -5.430 1.00 0.28 N ATOM 351 CA SER A 25 -0.425 3.084 -5.477 1.00 0.28 C ATOM 352 C SER A 25 -1.479 2.003 -5.333 1.00 0.27 C ATOM 353 O SER A 25 -1.539 1.056 -6.116 1.00 0.31 O ATOM 354 CB SER A 25 -0.640 3.817 -6.785 1.00 0.35 C ATOM 355 OG SER A 25 0.590 4.205 -7.378 1.00 0.58 O ATOM 0 H SER A 25 0.953 1.603 -5.928 1.00 0.28 H new ATOM 0 HA SER A 25 -0.507 3.798 -4.658 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.190 3.177 -7.475 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.254 4.700 -6.610 1.00 0.35 H new ATOM 0 HG SER A 25 0.414 4.674 -8.220 1.00 0.58 H new ATOM 361 N ALA A 26 -2.294 2.164 -4.334 1.00 0.26 N ATOM 362 CA ALA A 26 -3.345 1.207 -4.023 1.00 0.26 C ATOM 363 C ALA A 26 -4.703 1.862 -4.182 1.00 0.22 C ATOM 364 O ALA A 26 -5.034 2.805 -3.470 1.00 0.25 O ATOM 365 CB ALA A 26 -3.181 0.662 -2.614 1.00 0.32 C ATOM 0 H ALA A 26 -2.259 2.963 -3.701 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.270 0.371 -4.719 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.978 -0.051 -2.405 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.216 0.163 -2.527 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.231 1.483 -1.898 1.00 0.32 H new ATOM 371 N ARG A 27 -5.481 1.370 -5.127 1.00 0.22 N ATOM 372 CA ARG A 27 -6.794 1.931 -5.392 1.00 0.25 C ATOM 373 C ARG A 27 -7.876 1.044 -4.797 1.00 0.23 C ATOM 374 O ARG A 27 -8.100 -0.071 -5.275 1.00 0.31 O ATOM 375 CB ARG A 27 -7.020 2.082 -6.897 1.00 0.36 C ATOM 376 CG ARG A 27 -5.984 2.949 -7.599 1.00 0.28 C ATOM 377 CD ARG A 27 -6.222 2.969 -9.104 1.00 0.46 C ATOM 378 NE ARG A 27 -5.184 3.706 -9.837 1.00 1.22 N ATOM 379 CZ ARG A 27 -5.055 3.689 -11.170 1.00 1.55 C ATOM 380 NH1 ARG A 27 -5.969 3.090 -11.925 1.00 1.46 N ATOM 381 NH2 ARG A 27 -4.039 4.314 -11.754 1.00 2.43 N ATOM 0 H ARG A 27 -5.228 0.583 -5.725 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.845 2.916 -4.928 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.020 1.093 -7.354 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.009 2.510 -7.064 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.028 3.965 -7.206 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -4.984 2.569 -7.390 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.263 1.945 -9.474 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.193 3.420 -9.307 1.00 0.46 H new ATOM 0 HE ARG A 27 -4.522 4.264 -9.298 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -6.774 2.640 -11.490 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -5.866 3.080 -12.940 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -3.352 4.810 -11.187 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -3.946 4.298 -12.770 1.00 2.43 H new ATOM 395 N VAL A 28 -8.554 1.536 -3.770 1.00 0.19 N ATOM 396 CA VAL A 28 -9.569 0.768 -3.107 1.00 0.20 C ATOM 397 C VAL A 28 -10.913 1.419 -3.287 1.00 0.23 C ATOM 398 O VAL A 28 -11.103 2.608 -3.024 1.00 0.24 O ATOM 399 CB VAL A 28 -9.321 0.605 -1.604 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.311 -0.403 -1.021 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.884 0.192 -1.345 1.00 0.23 C ATOM 0 H VAL A 28 -8.410 2.469 -3.385 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.541 -0.221 -3.565 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.480 1.562 -1.107 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.130 -0.515 0.048 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.329 -0.048 -1.181 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.182 -1.367 -1.514 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.725 0.081 -0.272 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.683 -0.757 -1.842 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.210 0.955 -1.734 1.00 0.23 H new ATOM 411 N ALA A 29 -11.812 0.624 -3.764 1.00 0.29 N ATOM 412 CA ALA A 29 -13.195 1.004 -3.916 1.00 0.32 C ATOM 413 C ALA A 29 -13.826 1.236 -2.569 1.00 0.34 C ATOM 414 O ALA A 29 -14.105 0.302 -1.822 1.00 0.40 O ATOM 415 CB ALA A 29 -13.953 -0.067 -4.664 1.00 0.38 C ATOM 0 H ALA A 29 -11.612 -0.329 -4.068 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.238 1.931 -4.488 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -14.995 0.233 -4.772 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.511 -0.204 -5.651 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -13.900 -1.004 -4.110 1.00 0.38 H new ATOM 421 N GLY A 30 -13.996 2.499 -2.267 1.00 0.35 N ATOM 422 CA GLY A 30 -14.697 2.904 -1.083 1.00 0.42 C ATOM 423 C GLY A 30 -16.051 2.243 -0.972 1.00 0.50 C ATOM 424 O GLY A 30 -16.276 1.425 -0.089 1.00 0.76 O ATOM 0 H GLY A 30 -13.651 3.272 -2.837 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.100 2.656 -0.206 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -14.822 3.987 -1.088 1.00 0.42 H new ATOM 428 N ALA A 31 -16.935 2.611 -1.895 1.00 0.49 N ATOM 429 CA ALA A 31 -18.308 2.126 -1.940 1.00 0.55 C ATOM 430 C ALA A 31 -19.083 2.485 -0.672 1.00 0.64 C ATOM 431 O ALA A 31 -18.649 3.316 0.128 1.00 0.71 O ATOM 432 CB ALA A 31 -18.332 0.625 -2.159 1.00 0.58 C ATOM 0 H ALA A 31 -16.712 3.266 -2.645 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.799 2.620 -2.778 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -19.365 0.278 -2.190 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.841 0.387 -3.102 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.808 0.130 -1.342 1.00 0.58 H new ATOM 438 N SER A 32 -20.246 1.871 -0.517 1.00 0.85 N ATOM 439 CA SER A 32 -21.047 2.041 0.679 1.00 0.96 C ATOM 440 C SER A 32 -20.974 0.779 1.535 1.00 1.01 C ATOM 441 O SER A 32 -20.906 -0.337 1.011 1.00 1.69 O ATOM 442 CB SER A 32 -22.484 2.380 0.297 1.00 1.19 C ATOM 443 OG SER A 32 -22.897 1.647 -0.850 1.00 1.74 O ATOM 0 H SER A 32 -20.656 1.247 -1.212 1.00 0.85 H new ATOM 0 HA SER A 32 -20.655 2.869 1.270 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.148 2.157 1.133 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.568 3.449 0.099 1.00 1.19 H new ATOM 0 HG SER A 32 -23.822 1.882 -1.073 1.00 1.74 H new ATOM 449 N LEU A 33 -20.974 0.952 2.850 1.00 0.96 N ATOM 450 CA LEU A 33 -20.680 -0.134 3.756 1.00 0.93 C ATOM 451 C LEU A 33 -21.269 0.088 5.139 1.00 0.90 C ATOM 452 O LEU A 33 -22.041 1.019 5.366 1.00 0.98 O ATOM 453 CB LEU A 33 -19.162 -0.338 3.888 1.00 0.99 C ATOM 454 CG LEU A 33 -18.235 0.899 3.935 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.752 1.251 2.540 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.894 2.111 4.592 1.00 1.95 C ATOM 0 H LEU A 33 -21.176 1.841 3.308 1.00 0.96 H new ATOM 0 HA LEU A 33 -21.141 -1.024 3.327 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.986 -0.914 4.796 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.840 -0.957 3.051 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.382 0.629 4.557 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -17.101 2.124 2.590 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -17.199 0.409 2.123 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -18.609 1.474 1.904 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -18.195 2.948 4.596 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.788 2.387 4.032 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -19.170 1.864 5.617 1.00 1.95 H new ATOM 468 N LEU A 34 -20.893 -0.795 6.050 1.00 0.87 N ATOM 469 CA LEU A 34 -21.232 -0.643 7.445 1.00 0.89 C ATOM 470 C LEU A 34 -20.248 0.324 8.089 1.00 0.84 C ATOM 471 O LEU A 34 -20.627 1.213 8.847 1.00 0.95 O ATOM 472 CB LEU A 34 -21.185 -1.993 8.141 1.00 1.01 C ATOM 473 CG LEU A 34 -21.747 -1.969 9.550 1.00 1.22 C ATOM 474 CD1 LEU A 34 -23.261 -1.804 9.530 1.00 1.45 C ATOM 475 CD2 LEU A 34 -21.352 -3.220 10.310 1.00 1.47 C ATOM 0 H LEU A 34 -20.347 -1.631 5.839 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.243 -0.246 7.540 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.743 -2.718 7.548 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -20.152 -2.338 8.177 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.321 -1.109 10.067 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.639 -1.790 10.552 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.518 -0.868 9.035 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.711 -2.636 8.988 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.766 -3.180 11.317 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -21.740 -4.098 9.793 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -20.265 -3.283 10.367 1.00 1.47 H new ATOM 487 N LYS A 35 -18.975 0.134 7.770 1.00 0.76 N ATOM 488 CA LYS A 35 -17.931 1.060 8.164 1.00 0.76 C ATOM 489 C LYS A 35 -16.920 1.172 7.032 1.00 0.65 C ATOM 490 O LYS A 35 -16.662 0.181 6.343 1.00 0.75 O ATOM 491 CB LYS A 35 -17.276 0.636 9.494 1.00 0.90 C ATOM 492 CG LYS A 35 -16.869 -0.836 9.596 1.00 0.92 C ATOM 493 CD LYS A 35 -15.591 -1.142 8.824 1.00 0.90 C ATOM 494 CE LYS A 35 -14.969 -2.468 9.250 1.00 1.00 C ATOM 495 NZ LYS A 35 -15.904 -3.615 9.097 1.00 1.40 N ATOM 0 H LYS A 35 -18.641 -0.666 7.232 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.364 2.044 8.343 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.390 1.250 9.653 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -17.968 0.859 10.306 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.728 -1.099 10.644 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.678 -1.461 9.216 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.810 -1.171 7.757 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -14.872 -0.338 8.980 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -14.074 -2.652 8.656 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.652 -2.399 10.291 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -15.402 -4.502 9.303 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -16.699 -3.506 9.759 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -16.266 -3.640 8.122 1.00 1.40 H new ATOM 509 N PRO A 36 -16.384 2.391 6.799 1.00 0.65 N ATOM 510 CA PRO A 36 -15.485 2.673 5.668 1.00 0.56 C ATOM 511 C PRO A 36 -14.408 1.613 5.505 1.00 0.45 C ATOM 512 O PRO A 36 -13.947 1.046 6.499 1.00 0.47 O ATOM 513 CB PRO A 36 -14.856 4.010 6.056 1.00 0.61 C ATOM 514 CG PRO A 36 -15.893 4.685 6.883 1.00 0.88 C ATOM 515 CD PRO A 36 -16.607 3.591 7.631 1.00 0.88 C ATOM 0 HA PRO A 36 -16.015 2.687 4.716 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.933 3.866 6.617 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.605 4.601 5.175 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.439 5.397 7.573 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.587 5.246 6.257 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.202 3.463 8.635 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.669 3.809 7.741 1.00 0.88 H new ATOM 523 N PRO A 37 -13.987 1.319 4.258 1.00 0.40 N ATOM 524 CA PRO A 37 -12.984 0.296 4.031 1.00 0.35 C ATOM 525 C PRO A 37 -11.731 0.552 4.827 1.00 0.32 C ATOM 526 O PRO A 37 -11.145 1.634 4.778 1.00 0.36 O ATOM 527 CB PRO A 37 -12.651 0.361 2.554 1.00 0.40 C ATOM 528 CG PRO A 37 -13.380 1.546 1.994 1.00 0.53 C ATOM 529 CD PRO A 37 -14.415 1.973 3.005 1.00 0.47 C ATOM 0 HA PRO A 37 -13.366 -0.678 4.338 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.576 0.463 2.405 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.957 -0.555 2.049 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.685 2.361 1.792 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.855 1.289 1.047 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -14.444 3.057 3.111 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -15.415 1.654 2.711 1.00 0.47 H new ATOM 537 N VAL A 38 -11.322 -0.461 5.539 1.00 0.29 N ATOM 538 CA VAL A 38 -10.142 -0.376 6.336 1.00 0.27 C ATOM 539 C VAL A 38 -9.059 -1.056 5.574 1.00 0.22 C ATOM 540 O VAL A 38 -8.989 -2.274 5.491 1.00 0.20 O ATOM 541 CB VAL A 38 -10.247 -1.065 7.693 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.229 -0.490 8.663 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.655 -0.997 8.258 1.00 0.77 C ATOM 0 H VAL A 38 -11.798 -1.362 5.580 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.958 0.680 6.534 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.020 -2.121 7.547 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.319 -0.994 9.626 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.224 -0.640 8.267 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.412 0.577 8.793 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.684 -1.500 9.225 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.947 0.046 8.382 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.346 -1.488 7.573 1.00 0.77 H new ATOM 553 N VAL A 39 -8.243 -0.252 5.024 1.00 0.22 N ATOM 554 CA VAL A 39 -7.114 -0.707 4.292 1.00 0.21 C ATOM 555 C VAL A 39 -5.905 -0.461 5.135 1.00 0.20 C ATOM 556 O VAL A 39 -5.539 0.676 5.433 1.00 0.23 O ATOM 557 CB VAL A 39 -6.904 0.038 2.976 1.00 0.24 C ATOM 558 CG1 VAL A 39 -6.014 -0.766 2.044 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.225 0.389 2.317 1.00 0.24 C ATOM 0 H VAL A 39 -8.334 0.763 5.065 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.278 -1.759 4.057 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.399 0.978 3.198 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.876 -0.219 1.111 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.045 -0.929 2.516 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.482 -1.728 1.835 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -8.036 0.918 1.383 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.782 -0.525 2.110 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.806 1.026 2.984 1.00 0.24 H new ATOM 569 N LYS A 40 -5.311 -1.521 5.515 1.00 0.19 N ATOM 570 CA LYS A 40 -4.114 -1.491 6.267 1.00 0.20 C ATOM 571 C LYS A 40 -2.972 -1.910 5.413 1.00 0.19 C ATOM 572 O LYS A 40 -3.002 -2.904 4.686 1.00 0.21 O ATOM 573 CB LYS A 40 -4.211 -2.371 7.500 1.00 0.26 C ATOM 574 CG LYS A 40 -4.687 -3.782 7.209 1.00 0.31 C ATOM 575 CD LYS A 40 -3.525 -4.738 6.943 1.00 0.37 C ATOM 576 CE LYS A 40 -3.101 -5.453 8.213 1.00 0.86 C ATOM 577 NZ LYS A 40 -4.204 -6.286 8.765 1.00 1.54 N ATOM 0 H LYS A 40 -5.649 -2.461 5.309 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.949 -0.469 6.608 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.233 -2.419 7.979 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.893 -1.907 8.213 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -5.271 -4.148 8.053 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.350 -3.769 6.344 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.818 -5.470 6.191 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.680 -4.183 6.535 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -2.237 -6.084 8.005 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.790 -4.720 8.957 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -3.803 -7.066 9.324 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -4.810 -5.700 9.374 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -4.770 -6.675 7.984 1.00 1.54 H new ATOM 591 N TRP A 41 -2.008 -1.080 5.460 1.00 0.18 N ATOM 592 CA TRP A 41 -0.762 -1.322 4.819 1.00 0.19 C ATOM 593 C TRP A 41 0.212 -2.031 5.728 1.00 0.21 C ATOM 594 O TRP A 41 0.171 -1.910 6.952 1.00 0.28 O ATOM 595 CB TRP A 41 -0.189 -0.005 4.382 1.00 0.21 C ATOM 596 CG TRP A 41 -0.930 0.595 3.259 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.029 1.394 3.325 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.637 0.411 1.886 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.390 1.780 2.055 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.559 1.168 1.161 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.333 -0.315 1.200 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.539 1.224 -0.213 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.346 -0.265 -0.172 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.588 0.502 -0.865 1.00 0.33 C ATOM 0 H TRP A 41 -2.055 -0.189 5.955 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.932 -1.972 3.961 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.194 0.686 5.225 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.852 -0.145 4.091 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.539 1.681 4.233 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.151 2.417 1.820 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.061 -0.906 1.736 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.255 1.822 -0.757 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.088 -0.826 -0.720 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.556 0.524 -1.944 1.00 0.33 H new ATOM 615 N PHE A 42 1.090 -2.758 5.094 1.00 0.21 N ATOM 616 CA PHE A 42 2.194 -3.409 5.750 1.00 0.23 C ATOM 617 C PHE A 42 3.419 -2.996 4.983 1.00 0.26 C ATOM 618 O PHE A 42 3.425 -3.047 3.762 1.00 0.34 O ATOM 619 CB PHE A 42 2.041 -4.932 5.716 1.00 0.26 C ATOM 620 CG PHE A 42 2.963 -5.673 6.640 1.00 0.30 C ATOM 621 CD1 PHE A 42 4.249 -6.007 6.242 1.00 0.37 C ATOM 622 CD2 PHE A 42 2.537 -6.050 7.903 1.00 0.49 C ATOM 623 CE1 PHE A 42 5.092 -6.705 7.088 1.00 0.50 C ATOM 624 CE2 PHE A 42 3.374 -6.742 8.752 1.00 0.62 C ATOM 625 CZ PHE A 42 4.651 -7.072 8.345 1.00 0.60 C ATOM 0 H PHE A 42 1.059 -2.919 4.087 1.00 0.21 H new ATOM 0 HA PHE A 42 2.249 -3.124 6.801 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.012 -5.186 5.970 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.213 -5.279 4.697 1.00 0.26 H new ATOM 0 HD1 PHE A 42 4.596 -5.719 5.261 1.00 0.37 H new ATOM 0 HD2 PHE A 42 1.538 -5.799 8.226 1.00 0.49 H new ATOM 0 HE1 PHE A 42 6.091 -6.962 6.767 1.00 0.50 H new ATOM 0 HE2 PHE A 42 3.031 -7.026 9.736 1.00 0.62 H new ATOM 0 HZ PHE A 42 5.305 -7.617 9.009 1.00 0.60 H new ATOM 635 N LYS A 43 4.428 -2.552 5.667 1.00 0.28 N ATOM 636 CA LYS A 43 5.587 -2.019 4.997 1.00 0.31 C ATOM 637 C LYS A 43 6.706 -3.011 5.151 1.00 0.39 C ATOM 638 O LYS A 43 7.305 -3.132 6.220 1.00 0.81 O ATOM 639 CB LYS A 43 5.945 -0.653 5.575 1.00 0.40 C ATOM 640 CG LYS A 43 7.425 -0.353 5.704 1.00 0.54 C ATOM 641 CD LYS A 43 7.650 1.131 5.740 1.00 0.67 C ATOM 642 CE LYS A 43 9.023 1.461 6.266 1.00 1.29 C ATOM 643 NZ LYS A 43 9.062 1.448 7.758 1.00 2.17 N ATOM 0 H LYS A 43 4.478 -2.545 6.686 1.00 0.28 H new ATOM 0 HA LYS A 43 5.391 -1.868 3.935 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.492 0.115 4.948 1.00 0.40 H new ATOM 0 HB3 LYS A 43 5.490 -0.568 6.562 1.00 0.40 H new ATOM 0 HG2 LYS A 43 7.819 -0.810 6.612 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.967 -0.790 4.866 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.533 1.544 4.738 1.00 0.67 H new ATOM 0 HD3 LYS A 43 6.894 1.601 6.369 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.744 0.742 5.877 1.00 1.29 H new ATOM 0 HE3 LYS A 43 9.325 2.443 5.903 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 10.007 1.156 8.078 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 8.853 2.401 8.119 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 8.352 0.778 8.118 1.00 2.17 H new ATOM 657 N GLY A 44 6.974 -3.760 4.125 1.00 0.64 N ATOM 658 CA GLY A 44 7.732 -4.939 4.376 1.00 0.92 C ATOM 659 C GLY A 44 9.215 -4.822 4.272 1.00 0.39 C ATOM 660 O GLY A 44 9.776 -4.787 3.190 1.00 1.23 O ATOM 0 H GLY A 44 6.696 -3.589 3.159 1.00 0.64 H new ATOM 0 HA2 GLY A 44 7.489 -5.292 5.378 1.00 0.92 H new ATOM 0 HA3 GLY A 44 7.403 -5.709 3.678 1.00 0.92 H new ATOM 664 N LYS A 45 9.823 -4.703 5.427 1.00 0.85 N ATOM 665 CA LYS A 45 10.845 -5.620 5.843 1.00 1.06 C ATOM 666 C LYS A 45 10.136 -6.532 6.842 1.00 0.74 C ATOM 667 O LYS A 45 10.298 -7.752 6.860 1.00 0.82 O ATOM 668 CB LYS A 45 12.103 -4.944 6.437 1.00 1.67 C ATOM 669 CG LYS A 45 11.917 -3.576 7.078 1.00 2.44 C ATOM 670 CD LYS A 45 13.289 -2.982 7.391 1.00 2.82 C ATOM 671 CE LYS A 45 13.264 -2.062 8.594 1.00 2.98 C ATOM 672 NZ LYS A 45 12.647 -0.758 8.289 1.00 3.87 N ATOM 0 H LYS A 45 9.620 -3.966 6.102 1.00 0.85 H new ATOM 0 HA LYS A 45 11.258 -6.164 4.993 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.525 -5.614 7.186 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.843 -4.848 5.642 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.366 -2.917 6.406 1.00 2.44 H new ATOM 0 HG3 LYS A 45 11.328 -3.665 7.991 1.00 2.44 H new ATOM 0 HD2 LYS A 45 13.998 -3.790 7.571 1.00 2.82 H new ATOM 0 HD3 LYS A 45 13.648 -2.429 6.523 1.00 2.82 H new ATOM 0 HE2 LYS A 45 12.714 -2.541 9.404 1.00 2.98 H new ATOM 0 HE3 LYS A 45 14.282 -1.905 8.950 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 13.171 -0.003 8.776 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 12.675 -0.592 7.263 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 11.659 -0.757 8.613 1.00 3.87 H new ATOM 686 N TRP A 46 9.306 -5.857 7.664 1.00 0.58 N ATOM 687 CA TRP A 46 8.463 -6.476 8.695 1.00 0.57 C ATOM 688 C TRP A 46 7.467 -5.477 9.321 1.00 0.63 C ATOM 689 O TRP A 46 6.706 -5.823 10.222 1.00 0.74 O ATOM 690 CB TRP A 46 9.347 -6.954 9.818 1.00 0.76 C ATOM 691 CG TRP A 46 10.457 -6.000 10.088 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.652 -5.964 9.455 1.00 1.19 C ATOM 693 CD2 TRP A 46 10.457 -4.928 11.027 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.389 -4.901 9.887 1.00 1.38 N ATOM 695 CE2 TRP A 46 11.687 -4.257 10.885 1.00 1.42 C ATOM 696 CE3 TRP A 46 9.530 -4.466 11.967 1.00 1.66 C ATOM 697 CZ2 TRP A 46 12.011 -3.141 11.656 1.00 1.78 C ATOM 698 CZ3 TRP A 46 9.855 -3.365 12.729 1.00 2.10 C ATOM 699 CH2 TRP A 46 11.081 -2.714 12.572 1.00 2.11 C ATOM 0 H TRP A 46 9.205 -4.843 7.624 1.00 0.58 H new ATOM 0 HA TRP A 46 7.910 -7.283 8.213 1.00 0.57 H new ATOM 0 HB2 TRP A 46 8.750 -7.083 10.721 1.00 0.76 H new ATOM 0 HB3 TRP A 46 9.760 -7.931 9.566 1.00 0.76 H new ATOM 0 HD1 TRP A 46 11.977 -6.677 8.712 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.305 -4.628 9.532 1.00 1.38 H new ATOM 0 HE3 TRP A 46 8.579 -4.962 12.093 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 12.956 -2.632 11.537 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 9.150 -2.999 13.460 1.00 2.10 H new ATOM 0 HH2 TRP A 46 11.303 -1.854 13.186 1.00 2.11 H new ATOM 710 N VAL A 47 7.498 -4.247 8.850 1.00 0.63 N ATOM 711 CA VAL A 47 6.930 -3.125 9.504 1.00 0.74 C ATOM 712 C VAL A 47 5.534 -2.818 9.022 1.00 0.59 C ATOM 713 O VAL A 47 4.998 -3.411 8.096 1.00 0.57 O ATOM 714 CB VAL A 47 7.782 -1.853 9.308 1.00 0.90 C ATOM 715 CG1 VAL A 47 8.261 -1.334 10.639 1.00 1.20 C ATOM 716 CG2 VAL A 47 8.969 -2.076 8.388 1.00 1.29 C ATOM 0 H VAL A 47 7.942 -4.010 7.963 1.00 0.63 H new ATOM 0 HA VAL A 47 6.898 -3.399 10.558 1.00 0.74 H new ATOM 0 HB VAL A 47 7.137 -1.115 8.832 1.00 0.90 H new ATOM 0 HG11 VAL A 47 8.861 -0.437 10.485 1.00 1.20 H new ATOM 0 HG12 VAL A 47 7.402 -1.094 11.266 1.00 1.20 H new ATOM 0 HG13 VAL A 47 8.867 -2.096 11.130 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.531 -1.147 8.288 1.00 1.29 H new ATOM 0 HG22 VAL A 47 9.615 -2.847 8.808 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.615 -2.393 7.407 1.00 1.29 H new ATOM 726 N ASP A 48 4.994 -1.880 9.715 1.00 0.60 N ATOM 727 CA ASP A 48 3.783 -1.211 9.422 1.00 0.56 C ATOM 728 C ASP A 48 4.149 0.064 8.709 1.00 0.58 C ATOM 729 O ASP A 48 5.313 0.451 8.708 1.00 0.96 O ATOM 730 CB ASP A 48 3.077 -0.861 10.717 1.00 0.73 C ATOM 731 CG ASP A 48 3.837 0.139 11.556 1.00 1.88 C ATOM 732 OD1 ASP A 48 4.811 -0.273 12.217 1.00 2.73 O ATOM 733 OD2 ASP A 48 3.461 1.333 11.576 1.00 2.22 O ATOM 0 H ASP A 48 5.426 -1.535 10.572 1.00 0.60 H new ATOM 0 HA ASP A 48 3.128 -1.836 8.814 1.00 0.56 H new ATOM 0 HB2 ASP A 48 2.090 -0.459 10.488 1.00 0.73 H new ATOM 0 HB3 ASP A 48 2.924 -1.771 11.297 1.00 0.73 H new ATOM 738 N LEU A 49 3.212 0.647 8.024 1.00 0.39 N ATOM 739 CA LEU A 49 3.386 2.003 7.533 1.00 0.35 C ATOM 740 C LEU A 49 2.742 3.016 8.437 1.00 0.41 C ATOM 741 O LEU A 49 3.277 4.099 8.586 1.00 0.44 O ATOM 742 CB LEU A 49 2.805 2.225 6.150 1.00 0.29 C ATOM 743 CG LEU A 49 3.475 1.526 4.978 1.00 0.25 C ATOM 744 CD1 LEU A 49 2.928 0.148 4.747 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.251 2.315 3.728 1.00 0.28 C ATOM 0 H LEU A 49 2.318 0.217 7.787 1.00 0.39 H new ATOM 0 HA LEU A 49 4.468 2.134 7.501 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.760 1.915 6.172 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.815 3.297 5.951 1.00 0.29 H new ATOM 0 HG LEU A 49 4.535 1.449 5.221 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.439 -0.309 3.900 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.087 -0.460 5.637 1.00 0.36 H new ATOM 0 HD13 LEU A 49 1.860 0.211 4.536 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.732 1.812 2.889 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.181 2.397 3.536 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.676 3.312 3.846 1.00 0.28 H new ATOM 757 N SER A 50 1.658 2.639 9.094 1.00 0.48 N ATOM 758 CA SER A 50 0.731 3.585 9.673 1.00 0.58 C ATOM 759 C SER A 50 1.461 4.491 10.633 1.00 0.62 C ATOM 760 O SER A 50 1.016 5.603 10.916 1.00 0.70 O ATOM 761 CB SER A 50 -0.405 2.836 10.384 1.00 0.73 C ATOM 762 OG SER A 50 -1.421 3.719 10.833 1.00 1.23 O ATOM 0 H SER A 50 1.399 1.663 9.239 1.00 0.48 H new ATOM 0 HA SER A 50 0.296 4.197 8.883 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.837 2.101 9.704 1.00 0.73 H new ATOM 0 HB3 SER A 50 -0.001 2.285 11.234 1.00 0.73 H new ATOM 0 HG SER A 50 -2.127 3.206 11.279 1.00 1.23 H new ATOM 768 N SER A 51 2.605 4.029 11.116 1.00 0.64 N ATOM 769 CA SER A 51 3.314 4.794 12.081 1.00 0.75 C ATOM 770 C SER A 51 4.476 5.560 11.464 1.00 0.72 C ATOM 771 O SER A 51 4.890 6.612 11.947 1.00 0.85 O ATOM 772 CB SER A 51 3.792 3.906 13.222 1.00 0.90 C ATOM 773 OG SER A 51 3.848 4.618 14.448 1.00 1.34 O ATOM 0 H SER A 51 3.040 3.145 10.851 1.00 0.64 H new ATOM 0 HA SER A 51 2.622 5.534 12.482 1.00 0.75 H new ATOM 0 HB2 SER A 51 3.121 3.053 13.326 1.00 0.90 H new ATOM 0 HB3 SER A 51 4.779 3.508 12.986 1.00 0.90 H new ATOM 0 HG SER A 51 4.157 4.020 15.160 1.00 1.34 H new ATOM 779 N LYS A 52 4.967 5.019 10.378 1.00 0.62 N ATOM 780 CA LYS A 52 6.222 5.426 9.799 1.00 0.66 C ATOM 781 C LYS A 52 6.017 6.411 8.656 1.00 0.67 C ATOM 782 O LYS A 52 6.919 7.172 8.310 1.00 1.09 O ATOM 783 CB LYS A 52 6.981 4.201 9.299 1.00 0.65 C ATOM 784 CG LYS A 52 6.344 2.846 9.585 1.00 0.70 C ATOM 785 CD LYS A 52 6.077 2.528 11.055 1.00 0.78 C ATOM 786 CE LYS A 52 7.306 2.076 11.812 1.00 1.02 C ATOM 787 NZ LYS A 52 6.940 1.538 13.154 1.00 1.40 N ATOM 0 H LYS A 52 4.499 4.273 9.864 1.00 0.62 H new ATOM 0 HA LYS A 52 6.803 5.928 10.573 1.00 0.66 H new ATOM 0 HB2 LYS A 52 7.112 4.296 8.221 1.00 0.65 H new ATOM 0 HB3 LYS A 52 7.976 4.211 9.743 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.399 2.790 9.044 1.00 0.70 H new ATOM 0 HG3 LYS A 52 6.991 2.069 9.178 1.00 0.70 H new ATOM 0 HD2 LYS A 52 5.667 3.414 11.541 1.00 0.78 H new ATOM 0 HD3 LYS A 52 5.316 1.750 11.117 1.00 0.78 H new ATOM 0 HE2 LYS A 52 7.829 1.310 11.239 1.00 1.02 H new ATOM 0 HE3 LYS A 52 7.995 2.913 11.927 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 7.770 1.082 13.583 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 6.618 2.316 13.764 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 6.176 0.840 13.052 1.00 1.40 H new ATOM 801 N VAL A 53 4.854 6.291 8.040 1.00 0.34 N ATOM 802 CA VAL A 53 4.312 7.226 7.074 1.00 0.32 C ATOM 803 C VAL A 53 4.647 8.649 7.453 1.00 0.33 C ATOM 804 O VAL A 53 3.985 9.288 8.273 1.00 0.37 O ATOM 805 CB VAL A 53 2.782 7.037 6.977 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.108 8.069 6.097 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.465 5.664 6.456 1.00 0.35 C ATOM 0 H VAL A 53 4.233 5.500 8.209 1.00 0.34 H new ATOM 0 HA VAL A 53 4.761 7.027 6.101 1.00 0.32 H new ATOM 0 HB VAL A 53 2.392 7.166 7.987 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.035 7.880 6.071 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.292 9.065 6.499 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.512 8.005 5.087 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.384 5.540 6.391 1.00 0.35 H new ATOM 0 HG22 VAL A 53 2.905 5.540 5.466 1.00 0.35 H new ATOM 0 HG23 VAL A 53 2.876 4.914 7.132 1.00 0.35 H new ATOM 817 N GLY A 54 5.730 9.080 6.882 1.00 0.35 N ATOM 818 CA GLY A 54 6.211 10.427 7.095 1.00 0.41 C ATOM 819 C GLY A 54 7.097 10.952 5.976 1.00 0.44 C ATOM 820 O GLY A 54 6.613 11.281 4.897 1.00 0.70 O ATOM 0 H GLY A 54 6.308 8.518 6.257 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.356 11.093 7.210 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.768 10.459 8.031 1.00 0.41 H new ATOM 824 N GLN A 55 8.398 11.009 6.232 1.00 0.36 N ATOM 825 CA GLN A 55 9.329 11.711 5.349 1.00 0.43 C ATOM 826 C GLN A 55 9.780 10.841 4.176 1.00 0.39 C ATOM 827 O GLN A 55 9.825 11.298 3.038 1.00 0.50 O ATOM 828 CB GLN A 55 10.552 12.175 6.144 1.00 0.61 C ATOM 829 CG GLN A 55 11.462 13.105 5.360 1.00 1.43 C ATOM 830 CD GLN A 55 12.742 13.431 6.103 1.00 2.08 C ATOM 831 OE1 GLN A 55 13.252 12.617 6.870 1.00 2.75 O ATOM 832 NE2 GLN A 55 13.264 14.627 5.892 1.00 2.69 N ATOM 0 H GLN A 55 8.836 10.577 7.046 1.00 0.36 H new ATOM 0 HA GLN A 55 8.801 12.572 4.939 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.217 12.683 7.048 1.00 0.61 H new ATOM 0 HB3 GLN A 55 11.123 11.302 6.461 1.00 0.61 H new ATOM 0 HG2 GLN A 55 11.709 12.644 4.403 1.00 1.43 H new ATOM 0 HG3 GLN A 55 10.928 14.030 5.140 1.00 1.43 H new ATOM 0 HE21 GLN A 55 12.811 15.275 5.247 1.00 2.69 H new ATOM 0 HE22 GLN A 55 14.120 14.902 6.374 1.00 2.69 H new ATOM 841 N HIS A 56 10.125 9.593 4.458 1.00 0.36 N ATOM 842 CA HIS A 56 10.653 8.697 3.425 1.00 0.41 C ATOM 843 C HIS A 56 9.535 7.903 2.763 1.00 0.35 C ATOM 844 O HIS A 56 9.565 7.630 1.572 1.00 0.42 O ATOM 845 CB HIS A 56 11.694 7.744 4.025 1.00 0.54 C ATOM 846 CG HIS A 56 11.149 6.796 5.047 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.776 5.509 4.736 1.00 0.87 N ATOM 848 CD2 HIS A 56 10.897 6.951 6.368 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.313 4.915 5.818 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.375 5.768 6.825 1.00 1.33 N ATOM 0 H HIS A 56 10.052 9.175 5.385 1.00 0.36 H new ATOM 0 HA HIS A 56 11.133 9.310 2.662 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.148 7.168 3.219 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.488 8.334 4.482 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.074 7.841 6.953 1.00 1.06 H new ATOM 0 HE1 HIS A 56 9.945 3.901 5.872 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.083 5.578 7.784 1.00 1.33 H new ATOM 859 N LEU A 57 8.571 7.534 3.574 1.00 0.28 N ATOM 860 CA LEU A 57 7.381 6.836 3.146 1.00 0.25 C ATOM 861 C LEU A 57 6.205 7.697 3.522 1.00 0.23 C ATOM 862 O LEU A 57 5.864 7.812 4.683 1.00 0.29 O ATOM 863 CB LEU A 57 7.351 5.450 3.864 1.00 0.38 C ATOM 864 CG LEU A 57 6.042 4.613 4.001 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.650 4.512 5.458 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.884 5.132 3.165 1.00 1.10 C ATOM 0 H LEU A 57 8.594 7.716 4.577 1.00 0.28 H new ATOM 0 HA LEU A 57 7.356 6.657 2.071 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.076 4.817 3.353 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.726 5.612 4.874 1.00 0.38 H new ATOM 0 HG LEU A 57 6.264 3.623 3.604 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.735 3.927 5.549 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.449 4.025 6.017 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.483 5.511 5.860 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.012 4.496 3.316 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.646 6.152 3.467 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.163 5.121 2.111 1.00 1.10 H new ATOM 878 N GLN A 58 5.608 8.307 2.534 1.00 0.20 N ATOM 879 CA GLN A 58 4.327 8.885 2.682 1.00 0.21 C ATOM 880 C GLN A 58 3.336 7.883 2.164 1.00 0.18 C ATOM 881 O GLN A 58 3.309 7.562 0.984 1.00 0.19 O ATOM 882 CB GLN A 58 4.206 10.170 1.864 1.00 0.27 C ATOM 883 CG GLN A 58 5.309 11.184 2.103 1.00 0.46 C ATOM 884 CD GLN A 58 6.542 10.972 1.247 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.615 11.457 0.121 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.531 10.291 1.790 1.00 0.28 N ATOM 0 H GLN A 58 6.011 8.410 1.603 1.00 0.20 H new ATOM 0 HA GLN A 58 4.149 9.135 3.728 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.194 9.910 0.805 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.247 10.638 2.088 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.916 12.183 1.914 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.599 11.149 3.153 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.429 9.905 2.728 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.398 10.150 1.272 1.00 0.28 H new ATOM 895 N LEU A 59 2.542 7.404 3.053 1.00 0.20 N ATOM 896 CA LEU A 59 1.411 6.587 2.709 1.00 0.20 C ATOM 897 C LEU A 59 0.218 7.510 2.836 1.00 0.21 C ATOM 898 O LEU A 59 -0.335 7.708 3.920 1.00 0.23 O ATOM 899 CB LEU A 59 1.314 5.364 3.663 1.00 0.23 C ATOM 900 CG LEU A 59 0.310 4.241 3.356 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.032 3.531 4.659 1.00 0.26 C ATOM 902 CD2 LEU A 59 -0.974 4.745 2.715 1.00 0.23 C ATOM 0 H LEU A 59 2.652 7.564 4.054 1.00 0.20 H new ATOM 0 HA LEU A 59 1.479 6.168 1.705 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.304 4.911 3.715 1.00 0.23 H new ATOM 0 HB3 LEU A 59 1.084 5.744 4.659 1.00 0.23 H new ATOM 0 HG LEU A 59 0.741 3.562 2.620 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.679 2.723 4.488 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.961 3.120 5.055 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.387 4.237 5.376 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.640 3.903 2.524 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.464 5.450 3.387 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.740 5.243 1.774 1.00 0.23 H new ATOM 914 N HIS A 60 -0.123 8.122 1.729 1.00 0.22 N ATOM 915 CA HIS A 60 -1.220 9.012 1.654 1.00 0.25 C ATOM 916 C HIS A 60 -2.380 8.315 1.062 1.00 0.24 C ATOM 917 O HIS A 60 -2.276 7.251 0.482 1.00 0.26 O ATOM 918 CB HIS A 60 -0.913 10.259 0.843 1.00 0.37 C ATOM 919 CG HIS A 60 -0.290 11.370 1.636 1.00 0.79 C ATOM 920 ND1 HIS A 60 -1.029 12.330 2.295 1.00 1.48 N ATOM 921 CD2 HIS A 60 1.007 11.683 1.861 1.00 1.65 C ATOM 922 CE1 HIS A 60 -0.215 13.182 2.885 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.030 12.816 2.640 1.00 2.03 N ATOM 0 H HIS A 60 0.373 8.003 0.846 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.442 9.335 2.671 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.244 9.991 0.025 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.837 10.623 0.393 1.00 0.37 H new ATOM 0 HD2 HIS A 60 1.867 11.142 1.496 1.00 1.65 H new ATOM 0 HE1 HIS A 60 -0.516 14.037 3.471 1.00 1.91 H new ATOM 0 HE2 HIS A 60 1.868 13.293 2.973 1.00 2.03 H new ATOM 932 N ASP A 61 -3.463 8.936 1.265 1.00 0.29 N ATOM 933 CA ASP A 61 -4.734 8.457 0.853 1.00 0.32 C ATOM 934 C ASP A 61 -5.484 9.547 0.149 1.00 0.35 C ATOM 935 O ASP A 61 -5.839 10.583 0.713 1.00 0.48 O ATOM 936 CB ASP A 61 -5.556 7.936 2.010 1.00 0.44 C ATOM 937 CG ASP A 61 -5.589 8.866 3.211 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.544 9.029 3.881 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.663 9.434 3.497 1.00 0.92 O ATOM 0 H ASP A 61 -3.504 9.835 1.744 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.562 7.622 0.174 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.577 7.763 1.669 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.156 6.971 2.321 1.00 0.44 H new ATOM 944 N SER A 62 -5.659 9.303 -1.095 1.00 0.29 N ATOM 945 CA SER A 62 -6.449 10.146 -1.946 1.00 0.32 C ATOM 946 C SER A 62 -7.838 9.583 -2.008 1.00 0.32 C ATOM 947 O SER A 62 -8.035 8.385 -1.874 1.00 0.41 O ATOM 948 CB SER A 62 -5.843 10.254 -3.336 1.00 0.40 C ATOM 949 OG SER A 62 -4.440 10.466 -3.255 1.00 0.47 O ATOM 0 H SER A 62 -5.254 8.498 -1.572 1.00 0.29 H new ATOM 0 HA SER A 62 -6.475 11.155 -1.536 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.047 9.343 -3.899 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.310 11.076 -3.879 1.00 0.40 H new ATOM 0 HG SER A 62 -4.002 10.056 -4.030 1.00 0.47 H new ATOM 955 N TYR A 63 -8.797 10.437 -2.188 1.00 0.38 N ATOM 956 CA TYR A 63 -10.164 10.027 -2.059 1.00 0.45 C ATOM 957 C TYR A 63 -11.039 10.737 -3.040 1.00 0.47 C ATOM 958 O TYR A 63 -11.311 11.932 -2.935 1.00 0.54 O ATOM 959 CB TYR A 63 -10.648 10.218 -0.628 1.00 0.64 C ATOM 960 CG TYR A 63 -12.113 9.898 -0.401 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.762 8.931 -1.159 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.844 10.563 0.578 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.092 8.637 -0.951 1.00 1.05 C ATOM 964 CE2 TYR A 63 -14.176 10.270 0.794 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.793 9.309 0.027 1.00 1.07 C ATOM 966 OH TYR A 63 -16.116 9.008 0.241 1.00 1.39 O ATOM 0 H TYR A 63 -8.661 11.420 -2.424 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.224 8.964 -2.291 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.048 9.590 0.030 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.467 11.252 -0.334 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.215 8.401 -1.924 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -12.362 11.320 1.179 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.582 7.884 -1.551 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.730 10.792 1.560 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.466 9.568 0.965 1.00 1.39 H new ATOM 976 N ASP A 64 -11.448 9.966 -4.003 1.00 0.47 N ATOM 977 CA ASP A 64 -12.437 10.402 -4.955 1.00 0.57 C ATOM 978 C ASP A 64 -13.669 9.584 -4.780 1.00 0.57 C ATOM 979 O ASP A 64 -13.648 8.367 -4.865 1.00 0.63 O ATOM 980 CB ASP A 64 -11.971 10.271 -6.376 1.00 0.71 C ATOM 981 CG ASP A 64 -13.052 10.642 -7.369 1.00 1.53 C ATOM 982 OD1 ASP A 64 -13.408 11.836 -7.440 1.00 2.00 O ATOM 983 OD2 ASP A 64 -13.544 9.745 -8.082 1.00 2.42 O ATOM 0 H ASP A 64 -11.108 9.016 -4.155 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.628 11.458 -4.766 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.102 10.910 -6.532 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.649 9.246 -6.558 1.00 0.71 H new ATOM 988 N ARG A 65 -14.725 10.266 -4.529 1.00 0.60 N ATOM 989 CA ARG A 65 -15.994 9.648 -4.271 1.00 0.64 C ATOM 990 C ARG A 65 -16.676 9.213 -5.554 1.00 0.74 C ATOM 991 O ARG A 65 -17.409 8.228 -5.566 1.00 0.88 O ATOM 992 CB ARG A 65 -16.876 10.603 -3.493 1.00 0.74 C ATOM 993 CG ARG A 65 -17.631 9.886 -2.421 1.00 0.86 C ATOM 994 CD ARG A 65 -18.695 8.968 -3.012 1.00 1.00 C ATOM 995 NE ARG A 65 -19.895 9.706 -3.403 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.512 9.583 -4.582 1.00 1.80 C ATOM 997 NH1 ARG A 65 -20.043 8.758 -5.506 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.608 10.282 -4.840 1.00 2.07 N ATOM 0 H ARG A 65 -14.744 11.285 -4.494 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.823 8.750 -3.677 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.264 11.388 -3.048 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.576 11.091 -4.171 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.939 9.301 -1.815 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -18.101 10.611 -1.757 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -18.287 8.452 -3.881 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.961 8.203 -2.282 1.00 1.00 H new ATOM 0 HE ARG A 65 -20.289 10.361 -2.728 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -19.203 8.209 -5.321 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.521 8.671 -6.403 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.985 10.918 -4.137 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.075 10.184 -5.742 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.402 9.929 -6.628 1.00 0.80 N ATOM 1013 CA ALA A 66 -16.982 9.626 -7.934 1.00 0.93 C ATOM 1014 C ALA A 66 -16.716 8.177 -8.320 1.00 0.83 C ATOM 1015 O ALA A 66 -17.470 7.574 -9.081 1.00 0.92 O ATOM 1016 CB ALA A 66 -16.442 10.575 -8.995 1.00 1.15 C ATOM 0 H ALA A 66 -15.775 10.734 -6.626 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.061 9.767 -7.868 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -16.886 10.332 -9.960 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -16.694 11.601 -8.727 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -15.359 10.472 -9.058 1.00 1.15 H new ATOM 1022 N SER A 67 -15.629 7.633 -7.797 1.00 0.72 N ATOM 1023 CA SER A 67 -15.342 6.214 -7.931 1.00 0.72 C ATOM 1024 C SER A 67 -15.136 5.555 -6.557 1.00 0.58 C ATOM 1025 O SER A 67 -14.813 4.371 -6.474 1.00 0.63 O ATOM 1026 CB SER A 67 -14.106 6.021 -8.811 1.00 0.83 C ATOM 1027 OG SER A 67 -14.270 6.653 -10.069 1.00 1.41 O ATOM 0 H SER A 67 -14.927 8.156 -7.273 1.00 0.72 H new ATOM 0 HA SER A 67 -16.197 5.730 -8.402 1.00 0.72 H new ATOM 0 HB2 SER A 67 -13.230 6.429 -8.307 1.00 0.83 H new ATOM 0 HB3 SER A 67 -13.922 4.956 -8.957 1.00 0.83 H new ATOM 0 HG SER A 67 -13.465 6.516 -10.611 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.333 6.339 -5.481 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.154 5.880 -4.096 1.00 0.50 C ATOM 1035 C LYS A 68 -13.717 5.494 -3.798 1.00 0.44 C ATOM 1036 O LYS A 68 -13.420 5.031 -2.701 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.069 4.704 -3.783 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.513 5.075 -3.476 1.00 0.66 C ATOM 1039 CD LYS A 68 -17.803 5.365 -1.993 1.00 1.38 C ATOM 1040 CE LYS A 68 -16.851 6.349 -1.323 1.00 2.27 C ATOM 1041 NZ LYS A 68 -15.636 5.699 -0.773 1.00 3.31 N ATOM 0 H LYS A 68 -15.623 7.314 -5.551 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.419 6.723 -3.458 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -16.058 4.019 -4.631 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -15.660 4.162 -2.930 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -17.780 5.954 -4.063 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -18.160 4.263 -3.806 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.818 5.752 -1.907 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -17.773 4.424 -1.443 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -16.554 7.108 -2.047 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.377 6.864 -0.519 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -15.262 6.269 0.012 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -15.877 4.749 -0.426 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -14.915 5.623 -1.519 1.00 3.31 H new ATOM 1055 N VAL A 69 -12.825 5.763 -4.725 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.494 5.238 -4.654 1.00 0.31 C ATOM 1057 C VAL A 69 -10.698 5.989 -3.646 1.00 0.29 C ATOM 1058 O VAL A 69 -10.488 7.201 -3.739 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.736 5.291 -5.982 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.367 4.640 -5.851 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.539 4.630 -7.087 1.00 0.43 C ATOM 0 H VAL A 69 -13.007 6.348 -5.541 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.611 4.190 -4.376 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.590 6.339 -6.245 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -8.847 4.690 -6.808 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -8.785 5.166 -5.094 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -9.487 3.597 -5.557 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -10.981 4.679 -8.022 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -11.723 3.587 -6.829 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.491 5.148 -7.205 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.304 5.250 -2.679 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.283 5.677 -1.780 1.00 0.25 C ATOM 1073 C TYR A 70 -7.989 5.217 -2.366 1.00 0.22 C ATOM 1074 O TYR A 70 -7.633 4.039 -2.291 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.408 5.092 -0.396 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.727 5.360 0.280 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -10.990 6.594 0.859 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.708 4.386 0.343 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -12.198 6.849 1.474 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.915 4.637 0.955 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.155 5.866 1.520 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.368 6.110 2.117 1.00 0.93 O ATOM 0 H TYR A 70 -10.679 4.323 -2.481 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.356 6.759 -1.666 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.258 4.014 -0.456 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.607 5.491 0.227 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -10.236 7.367 0.827 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -11.524 3.416 -0.094 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -12.390 7.815 1.916 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.673 3.868 0.991 1.00 1.24 H new ATOM 0 HH TYR A 70 -14.928 5.308 2.060 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.320 6.125 -2.990 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.051 5.813 -3.573 1.00 0.19 C ATOM 1094 C LEU A 71 -4.989 6.146 -2.575 1.00 0.20 C ATOM 1095 O LEU A 71 -4.633 7.295 -2.352 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.794 6.537 -4.895 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.326 6.501 -5.359 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.757 5.079 -5.331 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -4.186 7.104 -6.746 1.00 0.52 C ATOM 0 H LEU A 71 -7.626 7.090 -3.112 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.041 4.751 -3.817 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.419 6.090 -5.668 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.106 7.576 -4.794 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.747 7.101 -4.657 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.720 5.096 -5.665 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -3.805 4.688 -4.315 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.341 4.440 -5.993 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -3.141 7.069 -7.054 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.792 6.537 -7.452 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.524 8.140 -6.728 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.499 5.111 -1.988 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.402 5.201 -1.101 1.00 0.21 C ATOM 1113 C PHE A 72 -2.150 5.240 -1.926 1.00 0.23 C ATOM 1114 O PHE A 72 -1.793 4.287 -2.626 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.397 4.020 -0.164 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.544 3.998 0.809 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -5.761 3.442 0.453 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.406 4.538 2.077 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -6.818 3.422 1.340 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.461 4.521 2.971 1.00 0.33 C ATOM 1121 CZ PHE A 72 -6.659 3.953 2.613 1.00 0.30 C ATOM 0 H PHE A 72 -4.858 4.165 -2.115 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.470 6.102 -0.491 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.418 3.103 -0.753 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.461 4.018 0.395 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -5.885 3.018 -0.533 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.464 4.977 2.371 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -7.765 2.995 1.045 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.343 4.955 3.953 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.475 3.919 3.320 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.520 6.360 -1.844 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.350 6.655 -2.618 1.00 0.26 C ATOM 1133 C GLU A 73 0.845 6.627 -1.724 1.00 0.20 C ATOM 1134 O GLU A 73 0.950 7.362 -0.738 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.413 8.003 -3.307 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.628 8.202 -4.198 1.00 0.59 C ATOM 1137 CD GLU A 73 -1.617 9.540 -4.910 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.516 10.074 -5.158 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -2.708 10.074 -5.210 1.00 1.32 O ATOM 0 H GLU A 73 -1.805 7.118 -1.224 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.285 5.897 -3.398 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.404 8.785 -2.548 1.00 0.42 H new ATOM 0 HB3 GLU A 73 0.487 8.131 -3.908 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -1.667 7.402 -4.937 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -2.533 8.123 -3.595 1.00 0.59 H new ATOM 1146 N LEU A 74 1.725 5.771 -2.093 1.00 0.21 N ATOM 1147 CA LEU A 74 2.939 5.546 -1.383 1.00 0.21 C ATOM 1148 C LEU A 74 4.013 6.306 -2.058 1.00 0.20 C ATOM 1149 O LEU A 74 4.358 6.048 -3.211 1.00 0.25 O ATOM 1150 CB LEU A 74 3.363 4.091 -1.410 1.00 0.27 C ATOM 1151 CG LEU A 74 2.438 3.093 -0.712 1.00 0.27 C ATOM 1152 CD1 LEU A 74 2.453 3.339 0.771 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.017 3.174 -1.239 1.00 0.96 C ATOM 0 H LEU A 74 1.622 5.187 -2.923 1.00 0.21 H new ATOM 0 HA LEU A 74 2.776 5.852 -0.350 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.468 3.787 -2.451 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.350 4.016 -0.955 1.00 0.27 H new ATOM 0 HG LEU A 74 2.809 2.090 -0.923 1.00 0.27 H new ATOM 0 HD11 LEU A 74 1.793 2.626 1.265 1.00 0.85 H new ATOM 0 HD12 LEU A 74 3.468 3.217 1.150 1.00 0.85 H new ATOM 0 HD13 LEU A 74 2.109 4.353 0.975 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.393 2.449 -0.717 1.00 0.96 H new ATOM 0 HD22 LEU A 74 0.624 4.177 -1.073 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.012 2.955 -2.307 1.00 0.96 H new ATOM 1165 N HIS A 75 4.544 7.216 -1.347 1.00 0.18 N ATOM 1166 CA HIS A 75 5.753 7.817 -1.782 1.00 0.19 C ATOM 1167 C HIS A 75 6.784 7.354 -0.822 1.00 0.19 C ATOM 1168 O HIS A 75 6.955 7.905 0.258 1.00 0.19 O ATOM 1169 CB HIS A 75 5.651 9.340 -1.841 1.00 0.23 C ATOM 1170 CG HIS A 75 4.863 9.821 -3.017 1.00 0.39 C ATOM 1171 ND1 HIS A 75 3.598 10.354 -2.918 1.00 1.01 N ATOM 1172 CD2 HIS A 75 5.167 9.822 -4.335 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.157 10.656 -4.125 1.00 0.88 C ATOM 1174 NE2 HIS A 75 4.091 10.344 -5.003 1.00 0.94 N ATOM 0 H HIS A 75 4.171 7.566 -0.465 1.00 0.18 H new ATOM 0 HA HIS A 75 6.002 7.526 -2.802 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.187 9.705 -0.924 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.654 9.766 -1.882 1.00 0.23 H new ATOM 0 HD2 HIS A 75 6.088 9.475 -4.779 1.00 1.15 H new ATOM 0 HE1 HIS A 75 2.193 11.086 -4.355 1.00 0.88 H new ATOM 0 HE2 HIS A 75 4.023 10.471 -6.013 1.00 0.94 H new ATOM 1183 N ILE A 76 7.445 6.306 -1.224 1.00 0.21 N ATOM 1184 CA ILE A 76 8.455 5.710 -0.420 1.00 0.23 C ATOM 1185 C ILE A 76 9.715 5.738 -1.215 1.00 0.25 C ATOM 1186 O ILE A 76 9.951 4.941 -2.100 1.00 0.28 O ATOM 1187 CB ILE A 76 8.079 4.274 -0.057 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.686 4.249 0.574 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.112 3.642 0.872 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.190 2.862 0.901 1.00 0.52 C ATOM 0 H ILE A 76 7.293 5.845 -2.121 1.00 0.21 H new ATOM 0 HA ILE A 76 8.575 6.255 0.516 1.00 0.23 H new ATOM 0 HB ILE A 76 8.065 3.680 -0.971 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.700 4.844 1.487 1.00 0.29 H new ATOM 0 HG13 ILE A 76 5.981 4.726 -0.106 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.812 2.621 1.109 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.084 3.629 0.380 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.178 4.223 1.792 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.197 2.926 1.345 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.142 2.268 -0.012 1.00 0.52 H new ATOM 0 HD13 ILE A 76 6.873 2.388 1.606 1.00 0.52 H new ATOM 1202 N THR A 77 10.501 6.685 -0.910 1.00 0.24 N ATOM 1203 CA THR A 77 11.642 6.961 -1.661 1.00 0.26 C ATOM 1204 C THR A 77 12.845 6.519 -0.924 1.00 0.36 C ATOM 1205 O THR A 77 12.807 6.217 0.273 1.00 0.58 O ATOM 1206 CB THR A 77 11.753 8.451 -1.988 1.00 0.32 C ATOM 1207 OG1 THR A 77 12.017 9.211 -0.800 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.468 8.924 -2.628 1.00 0.37 C ATOM 0 H THR A 77 10.363 7.304 -0.111 1.00 0.24 H new ATOM 0 HA THR A 77 11.565 6.416 -2.602 1.00 0.26 H new ATOM 0 HB THR A 77 12.581 8.598 -2.681 1.00 0.32 H new ATOM 0 HG1 THR A 77 12.976 9.402 -0.740 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.547 9.986 -2.861 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.291 8.363 -3.546 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.638 8.764 -1.939 1.00 0.37 H new ATOM 1216 N ASP A 78 13.884 6.508 -1.680 1.00 0.30 N ATOM 1217 CA ASP A 78 15.198 6.119 -1.246 1.00 0.45 C ATOM 1218 C ASP A 78 15.142 4.925 -0.336 1.00 0.45 C ATOM 1219 O ASP A 78 15.553 4.975 0.828 1.00 0.70 O ATOM 1220 CB ASP A 78 15.847 7.235 -0.522 1.00 0.61 C ATOM 1221 CG ASP A 78 16.069 8.478 -1.368 1.00 1.44 C ATOM 1222 OD1 ASP A 78 15.125 9.290 -1.513 1.00 2.12 O ATOM 1223 OD2 ASP A 78 17.191 8.659 -1.879 1.00 1.97 O ATOM 0 H ASP A 78 13.851 6.780 -2.663 1.00 0.30 H new ATOM 0 HA ASP A 78 15.773 5.861 -2.135 1.00 0.45 H new ATOM 0 HB2 ASP A 78 15.234 7.500 0.340 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.808 6.894 -0.137 1.00 0.61 H new ATOM 1228 N ALA A 79 14.602 3.882 -0.887 1.00 0.37 N ATOM 1229 CA ALA A 79 14.416 2.624 -0.182 1.00 0.34 C ATOM 1230 C ALA A 79 15.712 2.209 0.454 1.00 0.38 C ATOM 1231 O ALA A 79 16.727 2.092 -0.224 1.00 0.40 O ATOM 1232 CB ALA A 79 13.940 1.525 -1.120 1.00 0.34 C ATOM 0 H ALA A 79 14.269 3.867 -1.851 1.00 0.37 H new ATOM 0 HA ALA A 79 13.653 2.774 0.582 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.811 0.599 -0.560 1.00 0.34 H new ATOM 0 HB2 ALA A 79 12.989 1.814 -1.566 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.679 1.373 -1.907 1.00 0.34 H new ATOM 1238 N GLN A 80 15.681 2.012 1.750 1.00 0.47 N ATOM 1239 CA GLN A 80 16.864 1.592 2.453 1.00 0.55 C ATOM 1240 C GLN A 80 17.044 0.102 2.222 1.00 0.43 C ATOM 1241 O GLN A 80 16.069 -0.597 1.926 1.00 0.43 O ATOM 1242 CB GLN A 80 16.743 1.903 3.944 1.00 0.74 C ATOM 1243 CG GLN A 80 15.953 0.866 4.722 1.00 0.78 C ATOM 1244 CD GLN A 80 16.478 0.714 6.126 1.00 1.06 C ATOM 1245 OE1 GLN A 80 15.979 1.330 7.067 1.00 1.37 O ATOM 1246 NE2 GLN A 80 17.513 -0.097 6.256 1.00 1.43 N ATOM 0 H GLN A 80 14.854 2.135 2.334 1.00 0.47 H new ATOM 0 HA GLN A 80 17.734 2.132 2.080 1.00 0.55 H new ATOM 0 HB2 GLN A 80 17.742 1.982 4.372 1.00 0.74 H new ATOM 0 HB3 GLN A 80 16.267 2.876 4.066 1.00 0.74 H new ATOM 0 HG2 GLN A 80 14.903 1.156 4.754 1.00 0.78 H new ATOM 0 HG3 GLN A 80 16.004 -0.093 4.207 1.00 0.78 H new ATOM 0 HE21 GLN A 80 17.886 -0.583 5.440 1.00 1.43 H new ATOM 0 HE22 GLN A 80 17.939 -0.237 7.172 1.00 1.43 H new ATOM 1255 N PRO A 81 18.267 -0.424 2.343 1.00 0.42 N ATOM 1256 CA PRO A 81 18.497 -1.839 2.122 1.00 0.44 C ATOM 1257 C PRO A 81 17.846 -2.650 3.230 1.00 0.54 C ATOM 1258 O PRO A 81 17.496 -2.101 4.279 1.00 1.33 O ATOM 1259 CB PRO A 81 20.020 -1.977 2.158 1.00 0.50 C ATOM 1260 CG PRO A 81 20.482 -0.825 2.983 1.00 0.57 C ATOM 1261 CD PRO A 81 19.496 0.288 2.736 1.00 0.49 C ATOM 0 HA PRO A 81 18.074 -2.203 1.186 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.322 -2.927 2.599 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.445 -1.942 1.155 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.514 -1.090 4.040 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.490 -0.522 2.700 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.341 0.893 3.629 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.839 0.961 1.950 1.00 0.49 H new ATOM 1269 N ALA A 82 17.667 -3.936 2.982 1.00 0.81 N ATOM 1270 CA ALA A 82 17.008 -4.827 3.929 1.00 0.88 C ATOM 1271 C ALA A 82 15.513 -4.541 4.026 1.00 0.77 C ATOM 1272 O ALA A 82 14.855 -5.008 4.953 1.00 0.91 O ATOM 1273 CB ALA A 82 17.662 -4.772 5.314 1.00 1.12 C ATOM 0 H ALA A 82 17.972 -4.393 2.123 1.00 0.81 H new ATOM 0 HA ALA A 82 17.131 -5.839 3.544 1.00 0.88 H new ATOM 0 HB1 ALA A 82 17.141 -5.450 5.990 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.707 -5.071 5.235 1.00 1.12 H new ATOM 0 HB3 ALA A 82 17.604 -3.756 5.704 1.00 1.12 H new ATOM 1279 N PHE A 83 14.962 -3.781 3.081 1.00 0.64 N ATOM 1280 CA PHE A 83 13.527 -3.687 2.981 1.00 0.68 C ATOM 1281 C PHE A 83 13.020 -4.912 2.249 1.00 0.76 C ATOM 1282 O PHE A 83 12.237 -5.687 2.792 1.00 1.24 O ATOM 1283 CB PHE A 83 13.115 -2.406 2.223 1.00 0.74 C ATOM 1284 CG PHE A 83 12.694 -1.233 3.088 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.160 -1.434 4.352 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.829 0.083 2.632 1.00 0.75 C ATOM 1287 CE1 PHE A 83 11.777 -0.365 5.141 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.443 1.149 3.421 1.00 0.83 C ATOM 1289 CZ PHE A 83 11.921 0.926 4.674 1.00 0.88 C ATOM 0 H PHE A 83 15.483 -3.237 2.393 1.00 0.64 H new ATOM 0 HA PHE A 83 13.092 -3.638 3.979 1.00 0.68 H new ATOM 0 HB2 PHE A 83 13.951 -2.091 1.599 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.292 -2.652 1.552 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.042 -2.440 4.726 1.00 0.80 H new ATOM 0 HD2 PHE A 83 13.240 0.268 1.651 1.00 0.75 H new ATOM 0 HE1 PHE A 83 11.365 -0.540 6.124 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.551 2.159 3.054 1.00 0.83 H new ATOM 0 HZ PHE A 83 11.624 1.760 5.292 1.00 0.88 H new ATOM 1299 N THR A 84 13.568 -5.132 1.055 1.00 0.55 N ATOM 1300 CA THR A 84 12.942 -5.983 0.067 1.00 0.58 C ATOM 1301 C THR A 84 11.442 -5.771 0.169 1.00 0.80 C ATOM 1302 O THR A 84 10.657 -6.690 0.381 1.00 1.22 O ATOM 1303 CB THR A 84 13.338 -7.446 0.239 1.00 0.97 C ATOM 1304 OG1 THR A 84 14.770 -7.542 0.309 1.00 1.10 O ATOM 1305 CG2 THR A 84 12.828 -8.284 -0.934 1.00 1.17 C ATOM 0 H THR A 84 14.453 -4.724 0.755 1.00 0.55 H new ATOM 0 HA THR A 84 13.284 -5.715 -0.933 1.00 0.58 H new ATOM 0 HB THR A 84 12.892 -7.827 1.158 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.030 -8.480 0.421 1.00 1.10 H new ATOM 0 HG21 THR A 84 13.121 -9.324 -0.792 1.00 1.17 H new ATOM 0 HG22 THR A 84 11.741 -8.216 -0.984 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.258 -7.909 -1.863 1.00 1.17 H new ATOM 1313 N GLY A 85 11.115 -4.494 -0.014 1.00 0.87 N ATOM 1314 CA GLY A 85 9.866 -3.901 0.393 1.00 1.43 C ATOM 1315 C GLY A 85 8.658 -4.660 -0.008 1.00 0.96 C ATOM 1316 O GLY A 85 8.015 -4.379 -1.013 1.00 1.29 O ATOM 0 H GLY A 85 11.742 -3.829 -0.467 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.867 -3.794 1.478 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.803 -2.897 -0.026 1.00 1.43 H new ATOM 1320 N GLY A 86 8.345 -5.588 0.818 1.00 0.52 N ATOM 1321 CA GLY A 86 7.168 -6.360 0.659 1.00 0.52 C ATOM 1322 C GLY A 86 6.055 -5.702 1.396 1.00 0.40 C ATOM 1323 O GLY A 86 5.714 -6.050 2.524 1.00 0.43 O ATOM 0 H GLY A 86 8.905 -5.837 1.634 1.00 0.52 H new ATOM 0 HA2 GLY A 86 6.918 -6.452 -0.398 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.326 -7.370 1.038 1.00 0.52 H new ATOM 1327 N TYR A 87 5.547 -4.690 0.771 1.00 0.34 N ATOM 1328 CA TYR A 87 4.474 -3.918 1.331 1.00 0.28 C ATOM 1329 C TYR A 87 3.190 -4.690 1.061 1.00 0.30 C ATOM 1330 O TYR A 87 2.899 -5.031 -0.084 1.00 0.39 O ATOM 1331 CB TYR A 87 4.454 -2.528 0.704 1.00 0.35 C ATOM 1332 CG TYR A 87 5.670 -1.693 1.066 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.898 -1.941 0.476 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.587 -0.650 1.985 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.007 -1.177 0.788 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.694 0.115 2.305 1.00 0.54 C ATOM 1337 CZ TYR A 87 7.898 -0.171 1.757 1.00 0.54 C ATOM 1338 OH TYR A 87 9.006 0.613 2.009 1.00 0.63 O ATOM 0 H TYR A 87 5.862 -4.371 -0.145 1.00 0.34 H new ATOM 0 HA TYR A 87 4.594 -3.772 2.404 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.398 -2.626 -0.380 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.553 -2.005 1.024 1.00 0.35 H new ATOM 0 HD1 TYR A 87 6.991 -2.745 -0.240 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.640 -0.434 2.457 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.949 -1.354 0.289 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.597 0.942 2.993 1.00 0.54 H new ATOM 0 HH TYR A 87 9.546 0.688 1.195 1.00 0.63 H new ATOM 1348 N ARG A 88 2.448 -5.021 2.101 1.00 0.33 N ATOM 1349 CA ARG A 88 1.320 -5.909 1.943 1.00 0.36 C ATOM 1350 C ARG A 88 0.047 -5.173 2.263 1.00 0.36 C ATOM 1351 O ARG A 88 -0.224 -4.854 3.418 1.00 0.60 O ATOM 1352 CB ARG A 88 1.468 -7.143 2.831 1.00 0.42 C ATOM 1353 CG ARG A 88 2.788 -7.864 2.630 1.00 1.09 C ATOM 1354 CD ARG A 88 2.824 -9.185 3.373 1.00 1.23 C ATOM 1355 NE ARG A 88 2.603 -9.033 4.812 1.00 1.73 N ATOM 1356 CZ ARG A 88 2.655 -10.050 5.672 1.00 2.17 C ATOM 1357 NH1 ARG A 88 3.002 -11.255 5.239 1.00 2.11 N ATOM 1358 NH2 ARG A 88 2.382 -9.861 6.961 1.00 3.15 N ATOM 0 H ARG A 88 2.606 -4.691 3.053 1.00 0.33 H new ATOM 0 HA ARG A 88 1.283 -6.248 0.908 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.379 -6.845 3.876 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.649 -7.832 2.625 1.00 0.42 H new ATOM 0 HG2 ARG A 88 2.948 -8.040 1.566 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.605 -7.230 2.975 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.064 -9.849 2.961 1.00 1.23 H new ATOM 0 HD3 ARG A 88 3.789 -9.664 3.207 1.00 1.23 H new ATOM 0 HE ARG A 88 2.399 -8.102 5.175 1.00 1.73 H new ATOM 0 HH11 ARG A 88 3.227 -11.398 4.254 1.00 2.11 H new ATOM 0 HH12 ARG A 88 3.044 -12.038 5.891 1.00 2.11 H new ATOM 0 HH21 ARG A 88 2.130 -8.932 7.298 1.00 3.15 H new ATOM 0 HH22 ARG A 88 2.424 -10.645 7.612 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.717 -4.881 1.236 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.930 -4.129 1.413 1.00 0.27 C ATOM 1374 C CYS A 89 -3.088 -5.073 1.618 1.00 0.25 C ATOM 1375 O CYS A 89 -3.261 -6.034 0.872 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.179 -3.233 0.211 1.00 0.39 C ATOM 1377 SG CYS A 89 -3.001 -1.682 0.622 1.00 1.08 S ATOM 0 H CYS A 89 -0.518 -5.153 0.273 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.830 -3.495 2.294 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -1.226 -3.013 -0.270 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.785 -3.774 -0.515 1.00 0.39 H new ATOM 0 HG CYS A 89 -2.159 -0.699 0.502 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.866 -4.796 2.636 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.981 -5.639 3.001 1.00 0.28 C ATOM 1385 C GLU A 90 -6.165 -4.770 3.403 1.00 0.26 C ATOM 1386 O GLU A 90 -6.124 -4.086 4.425 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.565 -6.563 4.151 1.00 0.35 C ATOM 1388 CG GLU A 90 -5.660 -7.493 4.644 1.00 1.19 C ATOM 1389 CD GLU A 90 -5.180 -8.400 5.762 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -5.161 -7.953 6.933 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -4.802 -9.559 5.478 1.00 1.43 O ATOM 0 H GLU A 90 -3.745 -3.980 3.236 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.277 -6.254 2.151 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.715 -7.164 3.827 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -4.223 -5.951 4.986 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -6.506 -6.902 4.995 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -6.019 -8.101 3.814 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.201 -4.765 2.584 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.389 -3.993 2.894 1.00 0.22 C ATOM 1400 C VAL A 91 -9.483 -4.893 3.426 1.00 0.22 C ATOM 1401 O VAL A 91 -9.717 -5.993 2.923 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.915 -3.173 1.689 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -9.027 -4.029 0.436 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.259 -2.514 2.016 1.00 0.51 C ATOM 0 H VAL A 91 -7.244 -5.283 1.706 1.00 0.24 H new ATOM 0 HA VAL A 91 -8.097 -3.276 3.661 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.188 -2.386 1.490 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.399 -3.420 -0.388 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -8.046 -4.428 0.179 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.717 -4.853 0.619 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.605 -1.945 1.153 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.991 -3.283 2.261 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -10.138 -1.844 2.867 1.00 0.51 H new ATOM 1414 N SER A 92 -10.142 -4.406 4.447 1.00 0.22 N ATOM 1415 CA SER A 92 -11.207 -5.129 5.090 1.00 0.25 C ATOM 1416 C SER A 92 -12.393 -4.201 5.258 1.00 0.26 C ATOM 1417 O SER A 92 -12.362 -3.256 6.050 1.00 0.30 O ATOM 1418 CB SER A 92 -10.741 -5.670 6.447 1.00 0.32 C ATOM 1419 OG SER A 92 -11.760 -6.433 7.078 1.00 1.18 O ATOM 0 H SER A 92 -9.953 -3.491 4.857 1.00 0.22 H new ATOM 0 HA SER A 92 -11.499 -5.981 4.476 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.854 -6.288 6.309 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.454 -4.840 7.092 1.00 0.32 H new ATOM 0 HG SER A 92 -11.433 -6.766 7.940 1.00 1.18 H new ATOM 1425 N THR A 93 -13.418 -4.455 4.484 1.00 0.28 N ATOM 1426 CA THR A 93 -14.620 -3.668 4.535 1.00 0.35 C ATOM 1427 C THR A 93 -15.776 -4.598 4.816 1.00 0.39 C ATOM 1428 O THR A 93 -15.584 -5.804 4.718 1.00 0.59 O ATOM 1429 CB THR A 93 -14.827 -2.942 3.206 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.556 -2.597 2.649 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.640 -1.680 3.399 1.00 0.57 C ATOM 0 H THR A 93 -13.441 -5.213 3.802 1.00 0.28 H new ATOM 0 HA THR A 93 -14.549 -2.916 5.321 1.00 0.35 H new ATOM 0 HB THR A 93 -15.367 -3.607 2.532 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.916 -2.431 3.372 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.773 -1.182 2.438 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.615 -1.935 3.813 1.00 0.57 H new ATOM 0 HG23 THR A 93 -15.118 -1.012 4.084 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.943 -4.021 5.160 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.193 -4.755 5.473 1.00 0.43 C ATOM 1441 C LYS A 94 -18.118 -6.268 5.275 1.00 0.42 C ATOM 1442 O LYS A 94 -18.284 -7.042 6.213 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.360 -4.194 4.639 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.977 -3.503 3.324 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.340 -4.432 2.306 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.301 -5.493 1.778 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.463 -4.916 1.056 1.00 0.65 N ATOM 0 H LYS A 94 -17.050 -3.009 5.231 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.355 -4.596 6.539 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -20.043 -5.012 4.411 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.910 -3.482 5.254 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.870 -3.056 2.886 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -18.286 -2.688 3.540 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.965 -3.842 1.470 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.480 -4.924 2.760 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.761 -6.164 1.109 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.661 -6.096 2.611 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -20.907 -5.651 0.470 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -21.155 -4.556 1.744 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.141 -4.136 0.448 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.860 -6.656 4.046 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.869 -8.034 3.641 1.00 0.40 C ATOM 1463 C ASP A 95 -16.846 -8.292 2.533 1.00 0.37 C ATOM 1464 O ASP A 95 -16.567 -9.443 2.218 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.266 -8.396 3.155 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.702 -9.789 3.555 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.993 -10.001 4.747 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -19.791 -10.659 2.669 1.00 1.05 O ATOM 0 H ASP A 95 -17.635 -6.008 3.291 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.597 -8.654 4.495 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.979 -7.673 3.551 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.297 -8.312 2.069 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.258 -7.237 1.938 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.331 -7.467 0.858 1.00 0.29 C ATOM 1475 C LYS A 96 -13.949 -7.506 1.428 1.00 0.27 C ATOM 1476 O LYS A 96 -13.583 -6.692 2.275 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.347 -6.455 -0.312 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.673 -7.110 -1.636 1.00 0.56 C ATOM 1479 CD LYS A 96 -15.231 -6.269 -2.810 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.887 -7.122 -4.026 1.00 1.00 C ATOM 1481 NZ LYS A 96 -15.966 -8.066 -4.419 1.00 1.29 N ATOM 0 H LYS A 96 -16.411 -6.260 2.187 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.654 -8.407 0.412 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.080 -5.676 -0.105 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.375 -5.967 -0.381 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -15.189 -8.085 -1.686 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.747 -7.284 -1.699 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -16.023 -5.567 -3.072 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.361 -5.677 -2.525 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.666 -6.466 -4.868 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -13.980 -7.688 -3.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -15.791 -8.411 -5.384 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -15.980 -8.871 -3.761 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -16.883 -7.577 -4.387 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.222 -8.476 0.984 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.860 -8.672 1.423 1.00 0.29 C ATOM 1497 C PHE A 97 -10.937 -8.894 0.238 1.00 0.32 C ATOM 1498 O PHE A 97 -11.260 -9.655 -0.677 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.811 -9.842 2.387 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.490 -10.029 3.084 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -10.024 -9.086 3.986 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.721 -11.157 2.843 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.817 -9.267 4.635 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.514 -11.341 3.488 1.00 0.77 C ATOM 1505 CZ PHE A 97 -8.062 -10.395 4.386 1.00 0.74 C ATOM 0 H PHE A 97 -13.547 -9.163 0.304 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.513 -7.776 1.937 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.588 -9.707 3.140 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -12.051 -10.755 1.842 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.610 -8.201 4.184 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -10.070 -11.901 2.142 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.465 -8.526 5.337 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.924 -12.224 3.290 1.00 0.77 H new ATOM 0 HZ PHE A 97 -7.119 -10.537 4.893 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.796 -8.225 0.281 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.799 -8.276 -0.793 1.00 0.43 C ATOM 1517 C ASP A 98 -7.415 -7.938 -0.236 1.00 0.36 C ATOM 1518 O ASP A 98 -7.294 -7.138 0.694 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.139 -7.287 -1.920 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.266 -7.742 -2.834 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -10.023 -8.620 -3.694 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.391 -7.203 -2.724 1.00 1.60 O ATOM 0 H ASP A 98 -9.528 -7.627 1.062 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.803 -9.286 -1.202 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.411 -6.329 -1.477 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.245 -7.118 -2.521 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.377 -8.533 -0.809 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.007 -8.297 -0.353 1.00 0.30 C ATOM 1529 C CYS A 99 -4.047 -8.244 -1.537 1.00 0.32 C ATOM 1530 O CYS A 99 -4.284 -8.883 -2.565 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.556 -9.403 0.605 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.709 -9.744 1.959 1.00 1.19 S ATOM 0 H CYS A 99 -6.454 -9.183 -1.591 1.00 0.35 H new ATOM 0 HA CYS A 99 -4.993 -7.340 0.168 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -4.404 -10.320 0.035 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -3.590 -9.127 1.028 1.00 0.34 H new ATOM 0 HG CYS A 99 -5.232 -10.695 2.706 1.00 1.19 H new ATOM 1538 N SER A 100 -2.967 -7.485 -1.394 1.00 0.27 N ATOM 1539 CA SER A 100 -1.964 -7.384 -2.449 1.00 0.30 C ATOM 1540 C SER A 100 -0.554 -7.498 -1.884 1.00 0.31 C ATOM 1541 O SER A 100 -0.213 -6.850 -0.889 1.00 0.42 O ATOM 1542 CB SER A 100 -2.109 -6.065 -3.212 1.00 0.38 C ATOM 1543 OG SER A 100 -1.967 -4.951 -2.351 1.00 0.84 O ATOM 0 H SER A 100 -2.763 -6.932 -0.561 1.00 0.27 H new ATOM 0 HA SER A 100 -2.130 -8.213 -3.137 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.358 -6.015 -4.001 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.084 -6.029 -3.698 1.00 0.38 H new ATOM 0 HG SER A 100 -2.639 -4.275 -2.578 1.00 0.84 H new ATOM 1549 N ASN A 101 0.253 -8.327 -2.523 1.00 0.34 N ATOM 1550 CA ASN A 101 1.646 -8.489 -2.144 1.00 0.37 C ATOM 1551 C ASN A 101 2.568 -7.964 -3.242 1.00 0.42 C ATOM 1552 O ASN A 101 2.482 -8.389 -4.393 1.00 0.65 O ATOM 1553 CB ASN A 101 1.955 -9.961 -1.826 1.00 0.60 C ATOM 1554 CG ASN A 101 1.303 -10.967 -2.780 1.00 0.97 C ATOM 1555 OD1 ASN A 101 0.916 -12.052 -2.357 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.200 -10.640 -4.065 1.00 1.05 N ATOM 0 H ASN A 101 -0.036 -8.903 -3.314 1.00 0.34 H new ATOM 0 HA ASN A 101 1.826 -7.903 -1.242 1.00 0.37 H new ATOM 0 HB2 ASN A 101 3.035 -10.105 -1.848 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.626 -10.177 -0.810 1.00 0.60 H new ATOM 0 HD21 ASN A 101 0.791 -11.299 -4.728 1.00 1.05 H new ATOM 0 HD22 ASN A 101 1.530 -9.731 -4.388 1.00 1.05 H new ATOM 1563 N PHE A 102 3.424 -7.016 -2.897 1.00 0.31 N ATOM 1564 CA PHE A 102 4.331 -6.428 -3.861 1.00 0.38 C ATOM 1565 C PHE A 102 5.664 -6.156 -3.197 1.00 0.30 C ATOM 1566 O PHE A 102 5.721 -5.581 -2.111 1.00 0.37 O ATOM 1567 CB PHE A 102 3.721 -5.165 -4.471 1.00 0.57 C ATOM 1568 CG PHE A 102 3.023 -4.270 -3.494 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.721 -4.534 -3.088 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.660 -3.157 -2.989 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.082 -3.703 -2.194 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.024 -2.324 -2.098 1.00 0.84 C ATOM 1573 CZ PHE A 102 1.735 -2.597 -1.701 1.00 0.86 C ATOM 0 H PHE A 102 3.508 -6.638 -1.953 1.00 0.31 H new ATOM 0 HA PHE A 102 4.499 -7.125 -4.682 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.511 -4.597 -4.962 1.00 0.57 H new ATOM 0 HB3 PHE A 102 3.012 -5.458 -5.245 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.205 -5.399 -3.477 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.671 -2.936 -3.297 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.071 -3.919 -1.881 1.00 0.74 H new ATOM 0 HE2 PHE A 102 3.536 -1.456 -1.710 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.236 -1.943 -1.002 1.00 0.86 H new ATOM 1583 N ASN A 103 6.728 -6.613 -3.834 1.00 0.24 N ATOM 1584 CA ASN A 103 8.033 -6.600 -3.237 1.00 0.25 C ATOM 1585 C ASN A 103 8.937 -5.566 -3.882 1.00 0.28 C ATOM 1586 O ASN A 103 9.042 -5.452 -5.098 1.00 0.49 O ATOM 1587 CB ASN A 103 8.682 -7.961 -3.383 1.00 0.33 C ATOM 1588 CG ASN A 103 7.863 -9.093 -2.792 1.00 1.08 C ATOM 1589 OD1 ASN A 103 7.202 -8.937 -1.764 1.00 2.11 O ATOM 1590 ND2 ASN A 103 7.891 -10.238 -3.448 1.00 1.25 N ATOM 0 H ASN A 103 6.702 -7.001 -4.777 1.00 0.24 H new ATOM 0 HA ASN A 103 7.904 -6.346 -2.185 1.00 0.25 H new ATOM 0 HB2 ASN A 103 8.852 -8.161 -4.441 1.00 0.33 H new ATOM 0 HB3 ASN A 103 9.659 -7.941 -2.901 1.00 0.33 H new ATOM 0 HD21 ASN A 103 7.352 -11.034 -3.107 1.00 1.25 H new ATOM 0 HD22 ASN A 103 8.451 -10.326 -4.296 1.00 1.25 H new ATOM 1597 N LEU A 104 9.616 -4.859 -3.039 1.00 0.23 N ATOM 1598 CA LEU A 104 10.568 -3.837 -3.459 1.00 0.24 C ATOM 1599 C LEU A 104 11.993 -4.346 -3.312 1.00 0.25 C ATOM 1600 O LEU A 104 12.530 -4.430 -2.218 1.00 0.37 O ATOM 1601 CB LEU A 104 10.380 -2.530 -2.665 1.00 0.27 C ATOM 1602 CG LEU A 104 11.633 -1.713 -2.447 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.553 -0.441 -3.244 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.880 -1.416 -0.971 1.00 0.30 C ATOM 0 H LEU A 104 9.538 -4.962 -2.027 1.00 0.23 H new ATOM 0 HA LEU A 104 10.378 -3.618 -4.510 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.650 -1.911 -3.186 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.953 -2.775 -1.692 1.00 0.27 H new ATOM 0 HG LEU A 104 12.482 -2.303 -2.792 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.458 0.146 -3.085 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.458 -0.681 -4.303 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.685 0.136 -2.923 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.791 -0.827 -0.866 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.037 -0.856 -0.567 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.989 -2.353 -0.425 1.00 0.30 H new ATOM 1616 N THR A 105 12.617 -4.670 -4.415 1.00 0.23 N ATOM 1617 CA THR A 105 13.959 -5.186 -4.368 1.00 0.24 C ATOM 1618 C THR A 105 14.924 -4.024 -4.305 1.00 0.21 C ATOM 1619 O THR A 105 15.236 -3.402 -5.320 1.00 0.22 O ATOM 1620 CB THR A 105 14.280 -6.062 -5.580 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.207 -6.989 -5.803 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.581 -6.819 -5.357 1.00 0.32 C ATOM 0 H THR A 105 12.220 -4.586 -5.351 1.00 0.23 H new ATOM 0 HA THR A 105 14.055 -5.813 -3.482 1.00 0.24 H new ATOM 0 HB THR A 105 14.395 -5.424 -6.456 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.414 -7.548 -6.581 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.796 -7.438 -6.228 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.394 -6.109 -5.207 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.486 -7.453 -4.476 1.00 0.32 H new ATOM 1630 N VAL A 106 15.350 -3.711 -3.102 1.00 0.23 N ATOM 1631 CA VAL A 106 16.243 -2.619 -2.874 1.00 0.23 C ATOM 1632 C VAL A 106 17.673 -3.066 -3.079 1.00 0.25 C ATOM 1633 O VAL A 106 18.215 -3.929 -2.390 1.00 0.28 O ATOM 1634 CB VAL A 106 16.059 -1.968 -1.488 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.224 -2.975 -0.376 1.00 0.31 C ATOM 1636 CG2 VAL A 106 16.991 -0.777 -1.330 1.00 0.33 C ATOM 0 H VAL A 106 15.080 -4.214 -2.257 1.00 0.23 H new ATOM 0 HA VAL A 106 15.999 -1.847 -3.604 1.00 0.23 H new ATOM 0 HB VAL A 106 15.037 -1.596 -1.418 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.088 -2.481 0.586 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.481 -3.764 -0.487 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.223 -3.408 -0.423 1.00 0.31 H new ATOM 0 HG21 VAL A 106 16.847 -0.330 -0.346 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.025 -1.108 -1.431 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.770 -0.038 -2.100 1.00 0.33 H new ATOM 1646 N HIS A 107 18.237 -2.467 -4.073 1.00 0.26 N ATOM 1647 CA HIS A 107 19.581 -2.746 -4.519 1.00 0.31 C ATOM 1648 C HIS A 107 20.552 -1.866 -3.767 1.00 0.34 C ATOM 1649 O HIS A 107 20.682 -0.677 -4.032 1.00 0.36 O ATOM 1650 CB HIS A 107 19.710 -2.517 -6.034 1.00 0.36 C ATOM 1651 CG HIS A 107 18.896 -3.467 -6.866 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.424 -4.597 -7.440 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.582 -3.451 -7.216 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.481 -5.239 -8.098 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.355 -4.570 -7.982 1.00 0.53 N ATOM 0 H HIS A 107 17.770 -1.745 -4.622 1.00 0.26 H new ATOM 0 HA HIS A 107 19.812 -3.792 -4.317 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.406 -1.496 -6.264 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.759 -2.609 -6.317 1.00 0.36 H new ATOM 0 HD1 HIS A 107 20.397 -4.894 -7.368 1.00 1.19 H new ATOM 0 HD2 HIS A 107 16.854 -2.701 -6.944 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.611 -6.162 -8.643 1.00 1.10 H new ATOM 1664 N GLU A 108 21.169 -2.467 -2.783 1.00 0.45 N ATOM 1665 CA GLU A 108 22.224 -1.821 -2.009 1.00 0.56 C ATOM 1666 C GLU A 108 23.347 -1.339 -2.928 1.00 0.71 C ATOM 1667 O GLU A 108 23.737 -0.172 -2.892 1.00 1.33 O ATOM 1668 CB GLU A 108 22.767 -2.782 -0.953 1.00 0.71 C ATOM 1669 CG GLU A 108 23.665 -2.112 0.069 1.00 0.87 C ATOM 1670 CD GLU A 108 24.109 -3.060 1.156 1.00 1.20 C ATOM 1671 OE1 GLU A 108 25.159 -3.716 0.987 1.00 1.67 O ATOM 1672 OE2 GLU A 108 23.407 -3.152 2.185 1.00 1.66 O ATOM 0 H GLU A 108 20.961 -3.421 -2.487 1.00 0.45 H new ATOM 0 HA GLU A 108 21.803 -0.952 -1.504 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.930 -3.253 -0.437 1.00 0.71 H new ATOM 0 HB3 GLU A 108 23.324 -3.577 -1.449 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.542 -1.704 -0.434 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.136 -1.272 0.518 1.00 0.87 H new