USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 764 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 67 THR OG1 : rot 111:sc= 0.903 USER MOD Set 1.2: A 72 TYR OH : rot 30:sc= -1.78! USER MOD Set 2.1: A 36 TYR OH : rot -140:sc= 1.21 USER MOD Set 2.2: A 59 ASN : amide:sc= -1.11 K(o=0.099,f=-3.1) USER MOD Set 3.1: A 34 THR OG1 : rot -82:sc= 1.11 USER MOD Set 3.2: A 35 SER OG : rot -55:sc= 0.0275! USER MOD Set 3.3: A 55 ASN : amide:sc= -2.06 K(o=-0.92,f=0.47) USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= 0.599 USER MOD Set 4.2: A 62 THR OG1 : rot -88:sc= 0.96 USER MOD Set 5.1: A 14 THR OG1 : rot 115:sc= 0.601 USER MOD Set 5.2: A 17 THR OG1 : rot 180:sc= 0.292 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.93 K(o=-1.9,f=-0.53) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 6:sc= 0.396 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.22) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.44 K(o=-2.4,f=-8.4!) USER MOD Single : A 54 SER OG : rot -49:sc= 0.67 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0242 USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.308 (180deg=-1.25!) USER MOD Single : A 80 ASN : amide:sc= -8.56! C(o=-8.6!,f=-15!) USER MOD Single : A 86 SER OG : rot -55:sc= -0.235 USER MOD Single : A 89 SER OG : rot 161:sc= 0.18 USER MOD Single : A 92 SER OG : rot -89:sc= -3.84! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0483 USER MOD Single : A 97 CYS SG : rot 110:sc= -3.39 USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -19.378 -2.340 -4.871 1.00 0.68 N ATOM 27 CA ILE A 2 -18.254 -1.838 -4.092 1.00 0.61 C ATOM 28 C ILE A 2 -16.991 -1.718 -4.938 1.00 0.57 C ATOM 29 O ILE A 2 -16.539 -2.689 -5.546 1.00 0.63 O ATOM 30 CB ILE A 2 -17.955 -2.748 -2.885 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.875 -2.108 -1.991 1.00 0.60 C ATOM 32 CG2 ILE A 2 -17.538 -4.133 -3.372 1.00 0.66 C ATOM 33 CD1 ILE A 2 -16.079 -3.091 -1.138 1.00 0.56 C ATOM 0 HA ILE A 2 -18.544 -0.849 -3.738 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.856 -2.862 -2.282 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -16.181 -1.555 -2.624 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -17.353 -1.383 -1.332 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -17.328 -4.772 -2.514 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -18.345 -4.570 -3.961 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -16.643 -4.048 -3.989 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -15.345 -2.546 -0.545 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.756 -3.628 -0.474 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.567 -3.803 -1.785 1.00 0.56 H new ATOM 45 N ASP A 3 -16.422 -0.520 -4.958 1.00 0.55 N ATOM 46 CA ASP A 3 -15.204 -0.254 -5.710 1.00 0.54 C ATOM 47 C ASP A 3 -14.061 0.075 -4.751 1.00 0.47 C ATOM 48 O ASP A 3 -14.244 0.832 -3.798 1.00 0.49 O ATOM 49 CB ASP A 3 -15.425 0.904 -6.685 1.00 0.61 C ATOM 50 CG ASP A 3 -16.862 1.385 -6.697 1.00 1.15 C ATOM 51 OD1 ASP A 3 -17.234 2.164 -5.795 1.00 2.00 O ATOM 52 OD2 ASP A 3 -17.615 0.985 -7.609 1.00 1.64 O ATOM 0 H ASP A 3 -16.789 0.289 -4.457 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.941 -1.144 -6.281 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.770 1.732 -6.415 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -15.142 0.588 -7.689 1.00 0.61 H new ATOM 57 N PRO A 4 -12.867 -0.498 -4.978 1.00 0.44 N ATOM 58 CA PRO A 4 -11.706 -0.269 -4.120 1.00 0.41 C ATOM 59 C PRO A 4 -10.919 0.986 -4.498 1.00 0.38 C ATOM 60 O PRO A 4 -11.210 1.639 -5.501 1.00 0.43 O ATOM 61 CB PRO A 4 -10.875 -1.519 -4.365 1.00 0.45 C ATOM 62 CG PRO A 4 -11.125 -1.839 -5.800 1.00 0.50 C ATOM 63 CD PRO A 4 -12.552 -1.426 -6.080 1.00 0.50 C ATOM 0 HA PRO A 4 -11.985 -0.104 -3.079 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.817 -1.339 -4.174 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -11.182 -2.337 -3.714 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.430 -1.302 -6.446 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.982 -2.902 -5.993 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.646 -0.941 -7.052 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -13.224 -2.284 -6.086 1.00 0.50 H new ATOM 71 N PRO A 5 -9.906 1.340 -3.683 1.00 0.37 N ATOM 72 CA PRO A 5 -9.066 2.526 -3.913 1.00 0.39 C ATOM 73 C PRO A 5 -8.329 2.498 -5.246 1.00 0.38 C ATOM 74 O PRO A 5 -8.376 1.512 -5.982 1.00 0.47 O ATOM 75 CB PRO A 5 -8.057 2.485 -2.760 1.00 0.46 C ATOM 76 CG PRO A 5 -8.698 1.638 -1.719 1.00 0.71 C ATOM 77 CD PRO A 5 -9.505 0.616 -2.465 1.00 0.43 C ATOM 0 HA PRO A 5 -9.673 3.431 -3.949 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.106 2.062 -3.083 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.849 3.486 -2.382 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.949 1.160 -1.088 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.332 2.236 -1.064 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.917 -0.272 -2.698 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.369 0.284 -1.889 1.00 0.43 H new ATOM 85 N GLY A 6 -7.648 3.601 -5.542 1.00 0.37 N ATOM 86 CA GLY A 6 -6.896 3.715 -6.779 1.00 0.39 C ATOM 87 C GLY A 6 -5.493 3.147 -6.664 1.00 0.42 C ATOM 88 O GLY A 6 -5.032 2.833 -5.566 1.00 0.66 O ATOM 0 H GLY A 6 -7.604 4.424 -4.942 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.430 3.195 -7.574 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.837 4.764 -7.068 1.00 0.39 H new ATOM 92 N LYS A 7 -4.813 3.017 -7.799 1.00 0.41 N ATOM 93 CA LYS A 7 -3.453 2.486 -7.823 1.00 0.44 C ATOM 94 C LYS A 7 -2.527 3.339 -6.953 1.00 0.37 C ATOM 95 O LYS A 7 -2.474 4.557 -7.117 1.00 0.42 O ATOM 96 CB LYS A 7 -2.933 2.455 -9.260 1.00 0.54 C ATOM 97 CG LYS A 7 -1.463 2.089 -9.371 1.00 0.64 C ATOM 98 CD LYS A 7 -1.071 1.798 -10.809 1.00 1.01 C ATOM 99 CE LYS A 7 0.398 1.426 -10.921 1.00 0.95 C ATOM 100 NZ LYS A 7 0.901 1.571 -12.314 1.00 1.52 N ATOM 0 H LYS A 7 -5.181 3.272 -8.715 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.469 1.472 -7.423 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.521 1.739 -9.834 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -3.090 3.433 -9.715 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.853 2.905 -8.984 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.256 1.216 -8.752 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.684 0.984 -11.197 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -1.274 2.673 -11.427 1.00 1.01 H new ATOM 0 HE2 LYS A 7 0.985 2.059 -10.255 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.539 0.397 -10.589 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 1.907 1.308 -12.349 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.358 0.948 -12.946 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 0.790 2.558 -12.622 1.00 1.52 H new ATOM 114 N PRO A 8 -1.783 2.727 -6.006 1.00 0.34 N ATOM 115 CA PRO A 8 -0.875 3.462 -5.121 1.00 0.32 C ATOM 116 C PRO A 8 0.423 3.871 -5.804 1.00 0.33 C ATOM 117 O PRO A 8 0.914 3.189 -6.704 1.00 0.44 O ATOM 118 CB PRO A 8 -0.596 2.474 -3.974 1.00 0.39 C ATOM 119 CG PRO A 8 -1.497 1.305 -4.220 1.00 0.44 C ATOM 120 CD PRO A 8 -1.754 1.291 -5.699 1.00 0.41 C ATOM 0 HA PRO A 8 -1.320 4.401 -4.791 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.450 2.168 -3.967 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.801 2.930 -3.006 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.029 0.376 -3.896 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.428 1.405 -3.662 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.968 0.770 -6.247 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.695 0.800 -5.947 1.00 0.41 H new ATOM 128 N VAL A 9 0.970 4.996 -5.356 1.00 0.34 N ATOM 129 CA VAL A 9 2.212 5.526 -5.899 1.00 0.38 C ATOM 130 C VAL A 9 3.036 6.177 -4.784 1.00 0.34 C ATOM 131 O VAL A 9 2.624 7.186 -4.209 1.00 0.35 O ATOM 132 CB VAL A 9 1.937 6.549 -7.025 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.384 7.855 -6.470 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.196 6.797 -7.840 1.00 0.53 C ATOM 0 H VAL A 9 0.566 5.562 -4.610 1.00 0.34 H new ATOM 0 HA VAL A 9 2.777 4.698 -6.326 1.00 0.38 H new ATOM 0 HB VAL A 9 1.178 6.125 -7.682 1.00 0.43 H new ATOM 0 HG11 VAL A 9 1.202 8.551 -7.289 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.449 7.660 -5.945 1.00 1.09 H new ATOM 0 HG13 VAL A 9 2.105 8.290 -5.778 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.983 7.520 -8.628 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.979 7.189 -7.190 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.530 5.861 -8.287 1.00 0.53 H new ATOM 144 N PRO A 10 4.203 5.602 -4.443 1.00 0.34 N ATOM 145 CA PRO A 10 5.049 6.129 -3.380 1.00 0.32 C ATOM 146 C PRO A 10 5.301 7.626 -3.489 1.00 0.37 C ATOM 147 O PRO A 10 6.226 8.070 -4.168 1.00 0.64 O ATOM 148 CB PRO A 10 6.351 5.354 -3.511 1.00 0.38 C ATOM 149 CG PRO A 10 5.976 4.083 -4.192 1.00 0.39 C ATOM 150 CD PRO A 10 4.770 4.387 -5.046 1.00 0.42 C ATOM 0 HA PRO A 10 4.567 6.006 -2.410 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.085 5.911 -4.092 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.796 5.162 -2.535 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.800 3.714 -4.803 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.747 3.306 -3.462 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.049 4.551 -6.087 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.055 3.564 -5.034 1.00 0.42 H new ATOM 158 N LEU A 11 4.473 8.391 -2.793 1.00 0.34 N ATOM 159 CA LEU A 11 4.575 9.833 -2.763 1.00 0.43 C ATOM 160 C LEU A 11 5.956 10.252 -2.264 1.00 0.43 C ATOM 161 O LEU A 11 6.461 11.320 -2.610 1.00 0.57 O ATOM 162 CB LEU A 11 3.464 10.354 -1.847 1.00 0.56 C ATOM 163 CG LEU A 11 3.681 11.714 -1.197 1.00 0.92 C ATOM 164 CD1 LEU A 11 3.295 12.818 -2.163 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.868 11.798 0.085 1.00 1.12 C ATOM 0 H LEU A 11 3.707 8.020 -2.230 1.00 0.34 H new ATOM 0 HA LEU A 11 4.455 10.255 -3.761 1.00 0.43 H new ATOM 0 HB2 LEU A 11 2.542 10.399 -2.426 1.00 0.56 H new ATOM 0 HB3 LEU A 11 3.307 9.622 -1.055 1.00 0.56 H new ATOM 0 HG LEU A 11 4.735 11.838 -0.948 1.00 0.92 H new ATOM 0 HD11 LEU A 11 3.453 13.787 -1.690 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.910 12.748 -3.060 1.00 1.64 H new ATOM 0 HD13 LEU A 11 2.244 12.714 -2.434 1.00 1.64 H new ATOM 0 HD21 LEU A 11 3.023 12.771 0.551 1.00 1.12 H new ATOM 0 HD22 LEU A 11 1.810 11.670 -0.146 1.00 1.12 H new ATOM 0 HD23 LEU A 11 3.187 11.013 0.770 1.00 1.12 H new ATOM 177 N ASN A 12 6.557 9.391 -1.448 1.00 0.34 N ATOM 178 CA ASN A 12 7.878 9.642 -0.889 1.00 0.36 C ATOM 179 C ASN A 12 8.488 8.337 -0.393 1.00 0.37 C ATOM 180 O ASN A 12 7.777 7.359 -0.173 1.00 0.58 O ATOM 181 CB ASN A 12 7.788 10.645 0.262 1.00 0.42 C ATOM 182 CG ASN A 12 9.127 11.272 0.594 1.00 0.58 C ATOM 183 OD1 ASN A 12 9.421 12.392 0.178 1.00 0.72 O ATOM 184 ND2 ASN A 12 9.948 10.550 1.350 1.00 0.71 N ATOM 0 H ASN A 12 6.143 8.505 -1.158 1.00 0.34 H new ATOM 0 HA ASN A 12 8.514 10.061 -1.669 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.078 11.430 0.001 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.397 10.143 1.147 1.00 0.42 H new ATOM 0 HD21 ASN A 12 10.863 10.921 1.607 1.00 0.71 H new ATOM 0 HD22 ASN A 12 9.663 9.625 1.673 1.00 0.71 H new ATOM 191 N ILE A 13 9.802 8.322 -0.214 1.00 0.38 N ATOM 192 CA ILE A 13 10.481 7.125 0.263 1.00 0.43 C ATOM 193 C ILE A 13 11.736 7.477 1.047 1.00 0.53 C ATOM 194 O ILE A 13 12.685 8.040 0.504 1.00 0.75 O ATOM 195 CB ILE A 13 10.854 6.173 -0.891 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.247 6.966 -2.144 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.700 5.224 -1.171 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.070 7.520 -2.922 1.00 0.96 C ATOM 0 H ILE A 13 10.415 9.118 -0.390 1.00 0.38 H new ATOM 0 HA ILE A 13 9.777 6.614 0.920 1.00 0.43 H new ATOM 0 HB ILE A 13 11.720 5.580 -0.597 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.895 7.792 -1.850 1.00 0.49 H new ATOM 0 HG13 ILE A 13 11.831 6.321 -2.800 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.970 4.554 -1.987 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.485 4.639 -0.277 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.816 5.798 -1.450 1.00 0.53 H new ATOM 0 HD11 ILE A 13 10.434 8.067 -3.792 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.432 6.699 -3.250 1.00 0.96 H new ATOM 0 HD13 ILE A 13 9.497 8.193 -2.284 1.00 0.96 H new ATOM 210 N THR A 14 11.729 7.139 2.330 1.00 0.59 N ATOM 211 CA THR A 14 12.860 7.415 3.203 1.00 0.71 C ATOM 212 C THR A 14 13.651 6.145 3.480 1.00 0.79 C ATOM 213 O THR A 14 13.987 5.857 4.626 1.00 1.46 O ATOM 214 CB THR A 14 12.379 8.043 4.513 1.00 0.75 C ATOM 215 OG1 THR A 14 10.971 8.204 4.505 1.00 0.69 O ATOM 216 CG2 THR A 14 12.992 9.400 4.784 1.00 0.94 C ATOM 0 H THR A 14 10.948 6.671 2.790 1.00 0.59 H new ATOM 0 HA THR A 14 13.518 8.122 2.698 1.00 0.71 H new ATOM 0 HB THR A 14 12.694 7.354 5.297 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.572 7.628 5.190 1.00 0.69 H new ATOM 0 HG21 THR A 14 12.610 9.790 5.727 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.076 9.304 4.844 1.00 0.94 H new ATOM 0 HG23 THR A 14 12.732 10.084 3.976 1.00 0.94 H new ATOM 224 N ARG A 15 13.947 5.402 2.412 1.00 0.66 N ATOM 225 CA ARG A 15 14.710 4.159 2.503 1.00 0.67 C ATOM 226 C ARG A 15 14.022 3.145 3.414 1.00 0.71 C ATOM 227 O ARG A 15 13.500 2.131 2.950 1.00 1.19 O ATOM 228 CB ARG A 15 16.139 4.420 3.007 1.00 0.80 C ATOM 229 CG ARG A 15 16.678 5.823 2.747 1.00 0.96 C ATOM 230 CD ARG A 15 17.485 6.330 3.932 1.00 1.13 C ATOM 231 NE ARG A 15 18.301 7.490 3.586 1.00 1.43 N ATOM 232 CZ ARG A 15 18.872 8.282 4.488 1.00 1.67 C ATOM 233 NH1 ARG A 15 18.713 8.037 5.781 1.00 2.42 N ATOM 234 NH2 ARG A 15 19.603 9.319 4.099 1.00 1.90 N ATOM 0 H ARG A 15 13.665 5.645 1.463 1.00 0.66 H new ATOM 0 HA ARG A 15 14.761 3.743 1.497 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.168 4.231 4.080 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.809 3.699 2.538 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.303 5.816 1.854 1.00 0.96 H new ATOM 0 HG3 ARG A 15 15.849 6.503 2.550 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.808 6.593 4.745 1.00 1.13 H new ATOM 0 HD3 ARG A 15 18.129 5.531 4.300 1.00 1.13 H new ATOM 0 HE ARG A 15 18.441 7.704 2.599 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.152 7.241 6.084 1.00 2.42 H new ATOM 0 HH12 ARG A 15 19.151 8.645 6.473 1.00 2.42 H new ATOM 0 HH21 ARG A 15 19.728 9.511 3.105 1.00 1.90 H new ATOM 0 HH22 ARG A 15 20.040 9.925 4.794 1.00 1.90 H new ATOM 248 N HIS A 16 14.029 3.423 4.709 1.00 0.50 N ATOM 249 CA HIS A 16 13.413 2.542 5.692 1.00 0.54 C ATOM 250 C HIS A 16 11.912 2.789 5.793 1.00 0.57 C ATOM 251 O HIS A 16 11.158 1.916 6.224 1.00 0.97 O ATOM 252 CB HIS A 16 14.063 2.742 7.062 1.00 0.67 C ATOM 253 CG HIS A 16 15.137 1.748 7.368 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.126 0.923 8.470 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.275 1.453 6.690 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.233 0.169 8.430 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.964 0.451 7.368 1.00 0.86 N ATOM 0 H HIS A 16 14.458 4.259 5.107 1.00 0.50 H new ATOM 0 HA HIS A 16 13.569 1.515 5.363 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.485 3.746 7.111 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.294 2.681 7.832 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.595 1.921 5.771 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.493 -0.573 9.170 1.00 1.02 H new ATOM 0 HE2 HIS A 16 17.850 0.023 7.100 1.00 0.86 H new ATOM 265 N THR A 17 11.478 3.981 5.399 1.00 0.43 N ATOM 266 CA THR A 17 10.061 4.326 5.455 1.00 0.42 C ATOM 267 C THR A 17 9.546 4.766 4.090 1.00 0.38 C ATOM 268 O THR A 17 9.793 5.891 3.659 1.00 0.56 O ATOM 269 CB THR A 17 9.828 5.436 6.478 1.00 0.56 C ATOM 270 OG1 THR A 17 10.958 6.287 6.559 1.00 0.65 O ATOM 271 CG2 THR A 17 9.540 4.918 7.871 1.00 0.68 C ATOM 0 H THR A 17 12.082 4.721 5.040 1.00 0.43 H new ATOM 0 HA THR A 17 9.511 3.435 5.757 1.00 0.42 H new ATOM 0 HB THR A 17 8.951 5.977 6.123 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.790 6.993 7.218 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.385 5.759 8.547 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.644 4.298 7.851 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.384 4.323 8.220 1.00 0.68 H new ATOM 279 N VAL A 18 8.827 3.875 3.415 1.00 0.27 N ATOM 280 CA VAL A 18 8.278 4.183 2.100 1.00 0.33 C ATOM 281 C VAL A 18 6.850 4.709 2.218 1.00 0.32 C ATOM 282 O VAL A 18 5.963 4.027 2.729 1.00 0.51 O ATOM 283 CB VAL A 18 8.313 2.946 1.174 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.580 3.211 -0.137 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.753 2.532 0.907 1.00 0.46 C ATOM 0 H VAL A 18 8.612 2.938 3.755 1.00 0.27 H new ATOM 0 HA VAL A 18 8.902 4.959 1.658 1.00 0.33 H new ATOM 0 HB VAL A 18 7.798 2.130 1.681 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.624 2.321 -0.765 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.539 3.457 0.072 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.053 4.045 -0.656 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.766 1.660 0.254 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.284 3.353 0.426 1.00 0.46 H new ATOM 0 HG23 VAL A 18 10.242 2.286 1.850 1.00 0.46 H new ATOM 295 N THR A 19 6.644 5.930 1.742 1.00 0.27 N ATOM 296 CA THR A 19 5.334 6.569 1.790 1.00 0.24 C ATOM 297 C THR A 19 4.606 6.442 0.458 1.00 0.22 C ATOM 298 O THR A 19 5.138 6.836 -0.576 1.00 0.34 O ATOM 299 CB THR A 19 5.492 8.055 2.135 1.00 0.28 C ATOM 300 OG1 THR A 19 5.901 8.222 3.481 1.00 0.35 O ATOM 301 CG2 THR A 19 4.225 8.861 1.933 1.00 0.32 C ATOM 0 H THR A 19 7.373 6.502 1.315 1.00 0.27 H new ATOM 0 HA THR A 19 4.746 6.066 2.557 1.00 0.24 H new ATOM 0 HB THR A 19 6.250 8.427 1.445 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.997 9.177 3.678 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.410 9.902 2.196 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.917 8.800 0.889 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.434 8.461 2.568 1.00 0.32 H new ATOM 309 N LEU A 20 3.379 5.924 0.490 1.00 0.28 N ATOM 310 CA LEU A 20 2.598 5.797 -0.729 1.00 0.26 C ATOM 311 C LEU A 20 1.198 6.361 -0.560 1.00 0.28 C ATOM 312 O LEU A 20 0.546 6.192 0.475 1.00 0.40 O ATOM 313 CB LEU A 20 2.530 4.349 -1.237 1.00 0.33 C ATOM 314 CG LEU A 20 2.854 3.257 -0.220 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.312 3.332 0.182 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.951 3.354 0.994 1.00 0.52 C ATOM 0 H LEU A 20 2.914 5.592 1.335 1.00 0.28 H new ATOM 0 HA LEU A 20 3.120 6.386 -1.483 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.527 4.169 -1.623 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.218 4.249 -2.077 1.00 0.33 H new ATOM 0 HG LEU A 20 2.673 2.289 -0.687 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.530 2.548 0.907 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.940 3.196 -0.699 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.517 4.306 0.627 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.205 2.564 1.701 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.086 4.325 1.471 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.912 3.243 0.684 1.00 0.52 H new ATOM 328 N LYS A 21 0.755 7.037 -1.609 1.00 0.25 N ATOM 329 CA LYS A 21 -0.563 7.647 -1.643 1.00 0.31 C ATOM 330 C LYS A 21 -1.388 7.001 -2.745 1.00 0.31 C ATOM 331 O LYS A 21 -0.868 6.200 -3.522 1.00 0.51 O ATOM 332 CB LYS A 21 -0.453 9.152 -1.887 1.00 0.40 C ATOM 333 CG LYS A 21 -0.885 9.987 -0.694 1.00 0.81 C ATOM 334 CD LYS A 21 -2.389 9.937 -0.489 1.00 0.95 C ATOM 335 CE LYS A 21 -3.125 10.777 -1.519 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.639 12.046 -0.935 1.00 1.84 N ATOM 0 H LYS A 21 1.300 7.177 -2.460 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.051 7.491 -0.681 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.579 9.398 -2.139 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -1.064 9.419 -2.749 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -0.383 9.626 0.204 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -0.572 11.021 -0.841 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.731 8.904 -0.551 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.632 10.294 0.512 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -2.455 11.004 -2.348 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.956 10.203 -1.929 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.135 12.590 -1.669 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.298 11.830 -0.160 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -2.844 12.606 -0.567 1.00 1.84 H new ATOM 350 N TRP A 22 -2.666 7.337 -2.819 1.00 0.25 N ATOM 351 CA TRP A 22 -3.515 6.757 -3.848 1.00 0.24 C ATOM 352 C TRP A 22 -4.859 7.461 -3.959 1.00 0.24 C ATOM 353 O TRP A 22 -5.256 8.227 -3.081 1.00 0.40 O ATOM 354 CB TRP A 22 -3.726 5.266 -3.586 1.00 0.27 C ATOM 355 CG TRP A 22 -4.315 4.933 -2.250 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.633 4.740 -1.966 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.604 4.731 -1.021 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.787 4.436 -0.637 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.559 4.427 -0.035 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.255 4.782 -0.655 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.210 4.171 1.288 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.911 4.528 0.659 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.886 4.228 1.617 1.00 0.32 C ATOM 0 H TRP A 22 -3.131 7.994 -2.193 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.999 6.891 -4.798 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.377 4.865 -4.363 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.767 4.757 -3.680 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.438 4.815 -2.682 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.675 4.247 -0.172 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.496 5.016 -1.386 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.960 3.936 2.028 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.872 4.562 0.952 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.585 4.038 2.637 1.00 0.32 H new ATOM 374 N ALA A 23 -5.547 7.184 -5.059 1.00 0.31 N ATOM 375 CA ALA A 23 -6.852 7.768 -5.326 1.00 0.33 C ATOM 376 C ALA A 23 -7.946 6.984 -4.619 1.00 0.36 C ATOM 377 O ALA A 23 -7.778 5.803 -4.320 1.00 0.83 O ATOM 378 CB ALA A 23 -7.111 7.783 -6.826 1.00 0.36 C ATOM 0 H ALA A 23 -5.217 6.551 -5.787 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.860 8.790 -4.947 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.090 8.221 -7.022 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.342 8.375 -7.322 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.087 6.763 -7.210 1.00 0.36 H new ATOM 384 N LYS A 24 -9.069 7.639 -4.361 1.00 0.59 N ATOM 385 CA LYS A 24 -10.184 6.982 -3.699 1.00 0.61 C ATOM 386 C LYS A 24 -11.078 6.309 -4.740 1.00 0.59 C ATOM 387 O LYS A 24 -11.083 6.700 -5.907 1.00 0.69 O ATOM 388 CB LYS A 24 -10.977 7.986 -2.842 1.00 0.74 C ATOM 389 CG LYS A 24 -12.079 8.731 -3.585 1.00 1.21 C ATOM 390 CD LYS A 24 -13.415 8.017 -3.448 1.00 1.22 C ATOM 391 CE LYS A 24 -14.494 8.685 -4.284 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.501 9.381 -3.436 1.00 2.11 N ATOM 0 H LYS A 24 -9.231 8.618 -4.598 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.799 6.214 -3.028 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -11.421 7.453 -2.001 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.282 8.715 -2.426 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.164 9.745 -3.194 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.816 8.817 -4.639 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.306 6.977 -3.757 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.718 8.008 -2.401 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.034 9.402 -4.964 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.993 7.936 -4.899 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.220 9.824 -4.043 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.958 8.693 -2.804 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.030 10.113 -2.867 1.00 2.11 H new ATOM 406 N PRO A 25 -11.845 5.287 -4.336 1.00 0.56 N ATOM 407 CA PRO A 25 -12.737 4.569 -5.247 1.00 0.63 C ATOM 408 C PRO A 25 -13.671 5.514 -5.992 1.00 0.75 C ATOM 409 O PRO A 25 -13.506 6.733 -5.942 1.00 0.89 O ATOM 410 CB PRO A 25 -13.534 3.633 -4.331 1.00 0.63 C ATOM 411 CG PRO A 25 -13.256 4.097 -2.939 1.00 0.71 C ATOM 412 CD PRO A 25 -11.907 4.752 -2.972 1.00 0.58 C ATOM 0 HA PRO A 25 -12.183 4.039 -6.021 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.600 3.681 -4.554 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.226 2.596 -4.467 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -14.020 4.798 -2.604 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -13.264 3.259 -2.242 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.820 5.539 -2.223 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.105 4.039 -2.779 1.00 0.58 H new ATOM 420 N GLU A 26 -14.650 4.951 -6.690 1.00 0.85 N ATOM 421 CA GLU A 26 -15.598 5.758 -7.447 1.00 1.05 C ATOM 422 C GLU A 26 -17.043 5.427 -7.085 1.00 0.95 C ATOM 423 O GLU A 26 -17.969 5.831 -7.788 1.00 1.12 O ATOM 424 CB GLU A 26 -15.381 5.557 -8.945 1.00 1.29 C ATOM 425 CG GLU A 26 -14.088 6.168 -9.457 1.00 1.83 C ATOM 426 CD GLU A 26 -14.295 7.015 -10.696 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.936 6.525 -11.649 1.00 2.77 O ATOM 428 OE2 GLU A 26 -13.815 8.169 -10.714 1.00 2.53 O ATOM 0 H GLU A 26 -14.808 3.945 -6.747 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.420 6.802 -7.188 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.381 4.489 -9.164 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.220 5.993 -9.487 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.644 6.781 -8.672 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.378 5.372 -9.680 1.00 1.83 H new ATOM 435 N TYR A 27 -17.242 4.695 -5.991 1.00 0.85 N ATOM 436 CA TYR A 27 -18.588 4.335 -5.573 1.00 0.84 C ATOM 437 C TYR A 27 -18.625 3.735 -4.170 1.00 0.86 C ATOM 438 O TYR A 27 -19.173 4.339 -3.248 1.00 1.37 O ATOM 439 CB TYR A 27 -19.206 3.358 -6.564 1.00 0.86 C ATOM 440 CG TYR A 27 -20.701 3.506 -6.665 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.271 4.606 -7.290 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.543 2.538 -6.138 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.644 4.735 -7.387 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.916 2.659 -6.231 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.458 3.802 -6.844 1.00 1.19 C ATOM 446 OH TYR A 27 -24.828 3.887 -6.951 1.00 1.35 O ATOM 0 H TYR A 27 -16.498 4.345 -5.388 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.168 5.257 -5.551 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.762 3.513 -7.547 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.965 2.339 -6.263 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.633 5.372 -7.706 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -21.118 1.675 -5.647 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.069 5.586 -7.899 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.563 1.888 -5.839 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.240 3.122 -6.497 1.00 1.35 H new ATOM 456 N THR A 28 -18.064 2.539 -4.013 1.00 0.65 N ATOM 457 CA THR A 28 -18.063 1.863 -2.718 1.00 0.61 C ATOM 458 C THR A 28 -19.482 1.767 -2.178 1.00 0.66 C ATOM 459 O THR A 28 -19.717 1.928 -0.980 1.00 0.81 O ATOM 460 CB THR A 28 -17.168 2.593 -1.715 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.685 3.876 -1.411 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.750 2.774 -2.202 1.00 0.79 C ATOM 0 H THR A 28 -17.606 2.020 -4.762 1.00 0.65 H new ATOM 0 HA THR A 28 -17.664 0.859 -2.860 1.00 0.61 H new ATOM 0 HB THR A 28 -17.155 1.957 -0.830 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.563 3.983 -1.833 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.169 3.298 -1.443 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.303 1.798 -2.391 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.753 3.356 -3.123 1.00 0.79 H new ATOM 470 N GLY A 29 -20.431 1.507 -3.079 1.00 0.75 N ATOM 471 CA GLY A 29 -21.828 1.392 -2.692 1.00 0.80 C ATOM 472 C GLY A 29 -22.239 2.468 -1.700 1.00 0.85 C ATOM 473 O GLY A 29 -22.040 3.657 -1.946 1.00 1.01 O ATOM 0 H GLY A 29 -20.254 1.374 -4.075 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.456 1.460 -3.580 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -22.002 0.410 -2.253 1.00 0.80 H new ATOM 477 N GLY A 30 -22.780 2.044 -0.567 1.00 0.83 N ATOM 478 CA GLY A 30 -23.171 2.977 0.469 1.00 0.89 C ATOM 479 C GLY A 30 -22.193 2.861 1.609 1.00 0.85 C ATOM 480 O GLY A 30 -22.554 2.934 2.784 1.00 0.98 O ATOM 0 H GLY A 30 -22.956 1.064 -0.346 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.179 3.995 0.079 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.182 2.759 0.813 1.00 0.89 H new ATOM 484 N PHE A 31 -20.943 2.640 1.224 1.00 0.73 N ATOM 485 CA PHE A 31 -19.847 2.454 2.155 1.00 0.69 C ATOM 486 C PHE A 31 -18.846 3.606 2.083 1.00 0.67 C ATOM 487 O PHE A 31 -19.131 4.656 1.508 1.00 0.74 O ATOM 488 CB PHE A 31 -19.150 1.142 1.825 1.00 0.63 C ATOM 489 CG PHE A 31 -20.056 0.073 1.268 1.00 0.67 C ATOM 490 CD1 PHE A 31 -21.195 -0.316 1.953 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.765 -0.539 0.058 1.00 0.64 C ATOM 492 CE1 PHE A 31 -22.028 -1.296 1.444 1.00 0.87 C ATOM 493 CE2 PHE A 31 -20.594 -1.518 -0.457 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.726 -1.898 0.237 1.00 0.83 C ATOM 0 H PHE A 31 -20.662 2.585 0.245 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.247 2.431 3.169 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.356 1.339 1.105 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.673 0.762 2.728 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.436 0.152 2.896 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.880 -0.247 -0.488 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.913 -1.590 1.989 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -20.357 -1.985 -1.401 1.00 0.73 H new ATOM 0 HZ PHE A 31 -22.374 -2.664 -0.163 1.00 0.83 H new ATOM 504 N LYS A 32 -17.672 3.395 2.671 1.00 0.68 N ATOM 505 CA LYS A 32 -16.621 4.413 2.675 1.00 0.72 C ATOM 506 C LYS A 32 -15.256 3.829 3.044 1.00 0.66 C ATOM 507 O LYS A 32 -14.471 4.466 3.747 1.00 0.74 O ATOM 508 CB LYS A 32 -16.971 5.537 3.648 1.00 0.86 C ATOM 509 CG LYS A 32 -17.055 5.086 5.097 1.00 1.38 C ATOM 510 CD LYS A 32 -16.458 6.119 6.038 1.00 1.38 C ATOM 511 CE LYS A 32 -15.502 5.480 7.033 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.983 6.466 8.021 1.00 2.26 N ATOM 0 H LYS A 32 -17.423 2.530 3.151 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.557 4.808 1.661 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -16.222 6.324 3.565 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.926 5.974 3.357 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.097 4.908 5.364 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.530 4.138 5.215 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.930 6.877 5.460 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.258 6.628 6.576 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.013 4.674 7.560 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.667 5.031 6.496 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.335 5.989 8.680 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.473 7.223 7.522 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.777 6.876 8.552 1.00 2.26 H new ATOM 526 N ILE A 33 -14.975 2.624 2.564 1.00 0.67 N ATOM 527 CA ILE A 33 -13.703 1.957 2.840 1.00 0.66 C ATOM 528 C ILE A 33 -13.529 1.590 4.319 1.00 0.80 C ATOM 529 O ILE A 33 -13.387 0.419 4.664 1.00 1.71 O ATOM 530 CB ILE A 33 -12.512 2.836 2.402 1.00 0.59 C ATOM 531 CG1 ILE A 33 -12.596 3.143 0.905 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.198 2.147 2.731 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.616 4.205 0.564 1.00 0.91 C ATOM 0 H ILE A 33 -15.612 2.084 1.979 1.00 0.67 H new ATOM 0 HA ILE A 33 -13.721 1.033 2.262 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.556 3.778 2.949 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -11.616 3.465 0.553 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -12.843 2.227 0.368 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.367 2.779 2.416 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.136 1.975 3.806 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.147 1.192 2.207 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.622 4.372 -0.513 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.604 3.877 0.886 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.359 5.134 1.073 1.00 0.91 H new ATOM 545 N THR A 34 -13.517 2.608 5.165 1.00 0.72 N ATOM 546 CA THR A 34 -13.333 2.459 6.614 1.00 0.73 C ATOM 547 C THR A 34 -11.852 2.352 6.993 1.00 0.59 C ATOM 548 O THR A 34 -11.435 2.886 8.019 1.00 0.76 O ATOM 549 CB THR A 34 -14.087 1.254 7.176 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.330 0.066 7.033 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.428 1.030 6.531 1.00 1.15 C ATOM 0 H THR A 34 -13.636 3.577 4.868 1.00 0.72 H new ATOM 0 HA THR A 34 -13.749 3.363 7.058 1.00 0.73 H new ATOM 0 HB THR A 34 -14.247 1.488 8.228 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.439 -0.284 6.124 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.906 0.159 6.979 1.00 1.15 H new ATOM 0 HG22 THR A 34 -16.056 1.908 6.684 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.294 0.861 5.463 1.00 1.15 H new ATOM 559 N SER A 35 -11.059 1.657 6.177 1.00 0.49 N ATOM 560 CA SER A 35 -9.637 1.491 6.458 1.00 0.47 C ATOM 561 C SER A 35 -8.893 0.931 5.251 1.00 0.45 C ATOM 562 O SER A 35 -9.389 0.041 4.562 1.00 0.72 O ATOM 563 CB SER A 35 -9.445 0.544 7.640 1.00 0.64 C ATOM 564 OG SER A 35 -10.542 0.609 8.535 1.00 1.58 O ATOM 0 H SER A 35 -11.377 1.203 5.321 1.00 0.49 H new ATOM 0 HA SER A 35 -9.231 2.474 6.694 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.330 -0.477 7.276 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.526 0.800 8.168 1.00 0.64 H new ATOM 0 HG SER A 35 -10.682 1.538 8.814 1.00 1.58 H new ATOM 570 N TYR A 36 -7.691 1.446 5.009 1.00 0.27 N ATOM 571 CA TYR A 36 -6.870 0.989 3.898 1.00 0.28 C ATOM 572 C TYR A 36 -5.816 0.003 4.392 1.00 0.33 C ATOM 573 O TYR A 36 -5.235 0.186 5.462 1.00 0.68 O ATOM 574 CB TYR A 36 -6.197 2.178 3.211 1.00 0.29 C ATOM 575 CG TYR A 36 -7.174 3.187 2.645 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.085 2.825 1.660 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.182 4.502 3.093 1.00 0.57 C ATOM 578 CE1 TYR A 36 -8.976 3.746 1.140 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.071 5.428 2.578 1.00 0.67 C ATOM 580 CZ TYR A 36 -8.964 5.045 1.602 1.00 0.60 C ATOM 581 OH TYR A 36 -9.850 5.963 1.086 1.00 0.76 O ATOM 0 H TYR A 36 -7.265 2.183 5.571 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.512 0.485 3.175 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.545 2.679 3.927 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.562 1.809 2.406 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.097 1.809 1.295 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.482 4.807 3.857 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.678 3.449 0.375 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.065 6.446 2.939 1.00 0.67 H new ATOM 0 HH TYR A 36 -9.396 6.823 0.965 1.00 0.76 H new ATOM 591 N ILE A 37 -5.574 -1.046 3.619 1.00 0.24 N ATOM 592 CA ILE A 37 -4.588 -2.051 3.998 1.00 0.26 C ATOM 593 C ILE A 37 -3.621 -2.330 2.851 1.00 0.33 C ATOM 594 O ILE A 37 -3.931 -3.103 1.945 1.00 0.70 O ATOM 595 CB ILE A 37 -5.257 -3.378 4.426 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.547 -3.119 5.217 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.286 -4.204 5.256 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.789 -3.705 4.573 1.00 1.14 C ATOM 0 H ILE A 37 -6.043 -1.224 2.731 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.039 -1.645 4.847 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.522 -3.933 3.526 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.438 -3.535 6.218 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.682 -2.043 5.332 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.764 -5.137 5.554 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.398 -4.424 4.664 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.999 -3.643 6.146 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.659 -3.481 5.190 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.925 -3.271 3.583 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -7.677 -4.785 4.483 1.00 1.14 H new ATOM 610 N VAL A 38 -2.447 -1.701 2.893 1.00 0.36 N ATOM 611 CA VAL A 38 -1.449 -1.900 1.846 1.00 0.42 C ATOM 612 C VAL A 38 -0.494 -3.036 2.213 1.00 0.35 C ATOM 613 O VAL A 38 0.103 -3.043 3.290 1.00 0.48 O ATOM 614 CB VAL A 38 -0.670 -0.587 1.511 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.459 0.245 2.757 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.656 -0.838 0.787 1.00 0.51 C ATOM 0 H VAL A 38 -2.167 -1.057 3.632 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.985 -2.184 0.940 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.295 -0.027 0.815 1.00 0.63 H new ATOM 0 HG11 VAL A 38 0.085 1.154 2.500 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.426 0.510 3.186 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.116 -0.328 3.484 1.00 0.46 H new ATOM 0 HG21 VAL A 38 1.146 0.114 0.584 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.302 -1.452 1.414 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.465 -1.355 -0.153 1.00 0.51 H new ATOM 626 N GLU A 39 -0.364 -3.996 1.297 1.00 0.30 N ATOM 627 CA GLU A 39 0.509 -5.146 1.501 1.00 0.33 C ATOM 628 C GLU A 39 1.887 -4.887 0.907 1.00 0.32 C ATOM 629 O GLU A 39 2.029 -4.117 -0.043 1.00 0.43 O ATOM 630 CB GLU A 39 -0.116 -6.396 0.877 1.00 0.42 C ATOM 631 CG GLU A 39 -1.478 -6.742 1.454 1.00 0.51 C ATOM 632 CD GLU A 39 -1.622 -8.218 1.767 1.00 0.92 C ATOM 633 OE1 GLU A 39 -0.617 -8.840 2.168 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.740 -8.752 1.611 1.00 1.52 O ATOM 0 H GLU A 39 -0.856 -3.997 0.403 1.00 0.30 H new ATOM 0 HA GLU A 39 0.626 -5.308 2.573 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.213 -6.247 -0.198 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.557 -7.241 1.022 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.640 -6.164 2.364 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.253 -6.447 0.747 1.00 0.51 H new ATOM 641 N LYS A 40 2.903 -5.530 1.473 1.00 0.28 N ATOM 642 CA LYS A 40 4.269 -5.359 0.997 1.00 0.31 C ATOM 643 C LYS A 40 4.833 -6.658 0.441 1.00 0.29 C ATOM 644 O LYS A 40 4.553 -7.741 0.954 1.00 0.35 O ATOM 645 CB LYS A 40 5.175 -4.856 2.122 1.00 0.43 C ATOM 646 CG LYS A 40 5.083 -5.683 3.396 1.00 0.92 C ATOM 647 CD LYS A 40 6.457 -5.937 3.997 1.00 1.14 C ATOM 648 CE LYS A 40 7.033 -4.677 4.624 1.00 1.65 C ATOM 649 NZ LYS A 40 8.310 -4.945 5.343 1.00 1.97 N ATOM 0 H LYS A 40 2.806 -6.172 2.259 1.00 0.28 H new ATOM 0 HA LYS A 40 4.240 -4.620 0.196 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.208 -4.856 1.773 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.916 -3.822 2.351 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.457 -5.165 4.123 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.598 -6.635 3.179 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.386 -6.720 4.752 1.00 1.14 H new ATOM 0 HD3 LYS A 40 7.132 -6.301 3.223 1.00 1.14 H new ATOM 0 HE2 LYS A 40 7.204 -3.931 3.848 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.308 -4.254 5.319 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 8.669 -4.060 5.755 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.143 -5.637 6.101 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 9.011 -5.325 4.675 1.00 1.97 H new ATOM 663 N ARG A 41 5.638 -6.536 -0.604 1.00 0.36 N ATOM 664 CA ARG A 41 6.257 -7.693 -1.227 1.00 0.40 C ATOM 665 C ARG A 41 7.773 -7.577 -1.149 1.00 0.41 C ATOM 666 O ARG A 41 8.385 -6.795 -1.884 1.00 0.43 O ATOM 667 CB ARG A 41 5.812 -7.822 -2.686 1.00 0.46 C ATOM 668 CG ARG A 41 6.069 -9.192 -3.292 1.00 0.58 C ATOM 669 CD ARG A 41 6.047 -9.142 -4.812 1.00 0.88 C ATOM 670 NE ARG A 41 5.111 -10.101 -5.393 1.00 0.95 N ATOM 671 CZ ARG A 41 4.656 -10.019 -6.640 1.00 1.13 C ATOM 672 NH1 ARG A 41 5.042 -9.024 -7.428 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.811 -10.931 -7.100 1.00 1.44 N ATOM 0 H ARG A 41 5.877 -5.645 -1.038 1.00 0.36 H new ATOM 0 HA ARG A 41 5.941 -8.587 -0.690 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.747 -7.601 -2.751 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.330 -7.070 -3.281 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.035 -9.565 -2.953 1.00 0.58 H new ATOM 0 HG3 ARG A 41 5.314 -9.895 -2.939 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.778 -8.136 -5.135 1.00 0.88 H new ATOM 0 HD3 ARG A 41 7.049 -9.341 -5.193 1.00 0.88 H new ATOM 0 HE ARG A 41 4.789 -10.875 -4.811 1.00 0.95 H new ATOM 0 HH11 ARG A 41 5.690 -8.318 -7.078 1.00 1.44 H new ATOM 0 HH12 ARG A 41 4.691 -8.965 -8.384 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.509 -11.697 -6.497 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.463 -10.867 -8.057 1.00 1.44 H new ATOM 687 N ASP A 42 8.367 -8.356 -0.247 1.00 0.50 N ATOM 688 CA ASP A 42 9.811 -8.349 -0.059 1.00 0.57 C ATOM 689 C ASP A 42 10.500 -9.099 -1.188 1.00 0.62 C ATOM 690 O ASP A 42 10.731 -10.304 -1.101 1.00 0.91 O ATOM 691 CB ASP A 42 10.177 -8.974 1.286 1.00 0.71 C ATOM 692 CG ASP A 42 8.959 -9.452 2.053 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.937 -9.766 1.407 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.028 -9.511 3.299 1.00 1.49 O ATOM 0 H ASP A 42 7.867 -9.000 0.365 1.00 0.50 H new ATOM 0 HA ASP A 42 10.152 -7.314 -0.069 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.852 -9.814 1.121 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.718 -8.244 1.888 1.00 0.71 H new ATOM 699 N LEU A 43 10.820 -8.373 -2.248 1.00 0.63 N ATOM 700 CA LEU A 43 11.479 -8.957 -3.407 1.00 0.68 C ATOM 701 C LEU A 43 12.895 -9.409 -3.058 1.00 0.81 C ATOM 702 O LEU A 43 13.576 -8.769 -2.256 1.00 0.90 O ATOM 703 CB LEU A 43 11.517 -7.947 -4.554 1.00 0.62 C ATOM 704 CG LEU A 43 10.243 -7.115 -4.721 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.349 -6.212 -5.936 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.026 -8.021 -4.828 1.00 0.70 C ATOM 0 H LEU A 43 10.633 -7.374 -2.330 1.00 0.63 H new ATOM 0 HA LEU A 43 10.909 -9.831 -3.720 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.357 -7.271 -4.396 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.709 -8.482 -5.484 1.00 0.62 H new ATOM 0 HG LEU A 43 10.125 -6.485 -3.839 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.434 -5.629 -6.037 1.00 0.80 H new ATOM 0 HD12 LEU A 43 11.197 -5.538 -5.815 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.493 -6.820 -6.829 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.129 -7.413 -4.946 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.136 -8.677 -5.691 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.940 -8.623 -3.923 1.00 0.70 H new ATOM 718 N PRO A 44 13.363 -10.524 -3.652 1.00 0.92 N ATOM 719 CA PRO A 44 12.603 -11.320 -4.608 1.00 0.99 C ATOM 720 C PRO A 44 11.883 -12.498 -3.957 1.00 1.15 C ATOM 721 O PRO A 44 11.642 -13.519 -4.599 1.00 1.43 O ATOM 722 CB PRO A 44 13.699 -11.819 -5.544 1.00 1.15 C ATOM 723 CG PRO A 44 14.935 -11.913 -4.694 1.00 1.25 C ATOM 724 CD PRO A 44 14.692 -11.102 -3.439 1.00 1.08 C ATOM 0 HA PRO A 44 11.810 -10.749 -5.092 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.441 -12.788 -5.971 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.847 -11.133 -6.378 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.149 -12.952 -4.443 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.801 -11.531 -5.235 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.719 -11.727 -2.547 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.449 -10.329 -3.309 1.00 1.08 H new ATOM 732 N ASN A 45 11.541 -12.355 -2.678 1.00 1.14 N ATOM 733 CA ASN A 45 10.851 -13.418 -1.955 1.00 1.33 C ATOM 734 C ASN A 45 9.685 -12.869 -1.139 1.00 1.43 C ATOM 735 O ASN A 45 9.475 -13.268 0.006 1.00 2.42 O ATOM 736 CB ASN A 45 11.826 -14.154 -1.034 1.00 1.66 C ATOM 737 CG ASN A 45 13.188 -14.352 -1.671 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.313 -15.008 -2.704 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.218 -13.784 -1.054 1.00 1.89 N ATOM 0 H ASN A 45 11.729 -11.519 -2.125 1.00 1.14 H new ATOM 0 HA ASN A 45 10.454 -14.116 -2.692 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.940 -13.592 -0.107 1.00 1.66 H new ATOM 0 HB3 ASN A 45 11.408 -15.125 -0.769 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.159 -13.883 -1.435 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.068 -13.248 -0.199 1.00 1.89 H new ATOM 746 N GLY A 46 8.925 -11.956 -1.736 1.00 0.90 N ATOM 747 CA GLY A 46 7.788 -11.376 -1.045 1.00 1.12 C ATOM 748 C GLY A 46 6.492 -12.089 -1.375 1.00 0.76 C ATOM 749 O GLY A 46 6.339 -12.637 -2.466 1.00 0.96 O ATOM 0 H GLY A 46 9.076 -11.608 -2.683 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.959 -11.417 0.031 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.700 -10.323 -1.314 1.00 1.12 H new ATOM 753 N ARG A 47 5.555 -12.085 -0.431 1.00 0.80 N ATOM 754 CA ARG A 47 4.270 -12.740 -0.635 1.00 0.76 C ATOM 755 C ARG A 47 3.119 -11.816 -0.246 1.00 0.85 C ATOM 756 O ARG A 47 2.051 -12.273 0.161 1.00 1.71 O ATOM 757 CB ARG A 47 4.205 -14.035 0.177 1.00 0.99 C ATOM 758 CG ARG A 47 4.003 -13.818 1.670 1.00 1.31 C ATOM 759 CD ARG A 47 5.167 -13.066 2.294 1.00 1.11 C ATOM 760 NE ARG A 47 5.452 -13.525 3.650 1.00 1.41 N ATOM 761 CZ ARG A 47 6.556 -13.208 4.315 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.474 -12.436 3.753 1.00 2.41 N ATOM 763 NH2 ARG A 47 6.745 -13.664 5.546 1.00 2.03 N ATOM 0 H ARG A 47 5.662 -11.637 0.479 1.00 0.80 H new ATOM 0 HA ARG A 47 4.172 -12.979 -1.694 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.390 -14.651 -0.204 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.127 -14.596 0.023 1.00 0.99 H new ATOM 0 HG2 ARG A 47 3.081 -13.261 1.835 1.00 1.31 H new ATOM 0 HG3 ARG A 47 3.886 -14.782 2.165 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.055 -13.193 1.674 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.941 -12.000 2.312 1.00 1.11 H new ATOM 0 HE ARG A 47 4.765 -14.122 4.112 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.334 -12.083 2.806 1.00 2.41 H new ATOM 0 HH12 ARG A 47 8.321 -12.194 4.267 1.00 2.41 H new ATOM 0 HH21 ARG A 47 6.041 -14.259 5.983 1.00 2.03 H new ATOM 0 HH22 ARG A 47 7.594 -13.419 6.056 1.00 2.03 H new ATOM 777 N TRP A 48 3.346 -10.517 -0.380 1.00 0.50 N ATOM 778 CA TRP A 48 2.337 -9.523 -0.049 1.00 0.43 C ATOM 779 C TRP A 48 1.776 -9.754 1.349 1.00 0.45 C ATOM 780 O TRP A 48 0.919 -10.616 1.553 1.00 0.65 O ATOM 781 CB TRP A 48 1.219 -9.563 -1.081 1.00 0.47 C ATOM 782 CG TRP A 48 1.726 -9.359 -2.471 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.760 -10.284 -3.473 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.287 -8.158 -3.010 1.00 0.39 C ATOM 785 NE1 TRP A 48 2.305 -9.731 -4.603 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.638 -8.427 -4.345 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.526 -6.881 -2.493 1.00 0.36 C ATOM 788 CZ2 TRP A 48 3.213 -7.468 -5.171 1.00 0.41 C ATOM 789 CZ3 TRP A 48 3.099 -5.930 -3.315 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.437 -6.229 -4.641 1.00 0.38 C ATOM 0 H TRP A 48 4.226 -10.126 -0.718 1.00 0.50 H new ATOM 0 HA TRP A 48 2.805 -8.538 -0.062 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.705 -10.523 -1.021 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.484 -8.793 -0.848 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.409 -11.302 -3.389 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.441 -10.212 -5.492 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.268 -6.643 -1.472 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.473 -7.694 -6.194 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.290 -4.940 -2.929 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.884 -5.464 -5.258 1.00 0.38 H new ATOM 801 N LEU A 49 2.267 -8.978 2.308 1.00 0.38 N ATOM 802 CA LEU A 49 1.820 -9.090 3.690 1.00 0.42 C ATOM 803 C LEU A 49 1.390 -7.728 4.226 1.00 0.36 C ATOM 804 O LEU A 49 2.007 -6.710 3.917 1.00 0.39 O ATOM 805 CB LEU A 49 2.939 -9.668 4.563 1.00 0.52 C ATOM 806 CG LEU A 49 2.690 -11.086 5.079 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.534 -11.100 6.068 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.416 -12.030 3.920 1.00 0.84 C ATOM 0 H LEU A 49 2.977 -8.262 2.153 1.00 0.38 H new ATOM 0 HA LEU A 49 0.963 -9.763 3.721 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.866 -9.664 3.989 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.090 -9.008 5.417 1.00 0.52 H new ATOM 0 HG LEU A 49 3.586 -11.428 5.598 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.372 -12.117 6.424 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.770 -10.453 6.913 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.630 -10.739 5.577 1.00 1.28 H new ATOM 0 HD21 LEU A 49 2.241 -13.035 4.303 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.535 -11.691 3.375 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.275 -12.042 3.250 1.00 0.84 H new ATOM 820 N LYS A 50 0.328 -7.717 5.027 1.00 0.40 N ATOM 821 CA LYS A 50 -0.183 -6.475 5.602 1.00 0.40 C ATOM 822 C LYS A 50 0.942 -5.667 6.243 1.00 0.47 C ATOM 823 O LYS A 50 1.258 -5.849 7.419 1.00 0.85 O ATOM 824 CB LYS A 50 -1.264 -6.774 6.644 1.00 0.59 C ATOM 825 CG LYS A 50 -2.623 -7.093 6.042 1.00 0.72 C ATOM 826 CD LYS A 50 -3.640 -7.459 7.114 1.00 1.03 C ATOM 827 CE LYS A 50 -3.704 -6.405 8.209 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.776 -6.695 9.202 1.00 1.30 N ATOM 0 H LYS A 50 -0.195 -8.552 5.292 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.618 -5.886 4.795 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -0.942 -7.616 7.257 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -1.363 -5.915 7.308 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.982 -6.233 5.478 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -2.524 -7.918 5.337 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -4.624 -7.572 6.659 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.378 -8.423 7.551 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.742 -6.353 8.719 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.880 -5.427 7.761 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.785 -5.953 9.930 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.698 -6.719 8.721 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.595 -7.616 9.649 1.00 1.30 H new ATOM 842 N ALA A 51 1.541 -4.773 5.463 1.00 0.45 N ATOM 843 CA ALA A 51 2.628 -3.937 5.956 1.00 0.63 C ATOM 844 C ALA A 51 2.132 -2.992 7.042 1.00 0.55 C ATOM 845 O ALA A 51 2.742 -2.872 8.105 1.00 0.72 O ATOM 846 CB ALA A 51 3.248 -3.149 4.815 1.00 0.86 C ATOM 0 H ALA A 51 1.292 -4.609 4.488 1.00 0.45 H new ATOM 0 HA ALA A 51 3.390 -4.586 6.388 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.058 -2.529 5.199 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.641 -3.839 4.068 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.490 -2.513 4.358 1.00 0.86 H new ATOM 852 N ASN A 52 1.020 -2.321 6.765 1.00 0.42 N ATOM 853 CA ASN A 52 0.436 -1.384 7.716 1.00 0.43 C ATOM 854 C ASN A 52 -0.243 -2.128 8.859 1.00 0.59 C ATOM 855 O ASN A 52 -1.231 -2.833 8.654 1.00 1.60 O ATOM 856 CB ASN A 52 -0.575 -0.477 7.014 1.00 0.38 C ATOM 857 CG ASN A 52 -1.780 -1.243 6.506 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.757 -1.806 5.411 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.843 -1.268 7.302 1.00 0.62 N ATOM 0 H ASN A 52 0.505 -2.409 5.889 1.00 0.42 H new ATOM 0 HA ASN A 52 1.239 -0.772 8.127 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.905 0.298 7.705 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.089 0.027 6.178 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.684 -1.768 7.014 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.818 -0.787 8.201 1.00 0.62 H new ATOM 866 N PHE A 53 0.294 -1.971 10.065 1.00 0.81 N ATOM 867 CA PHE A 53 -0.263 -2.631 11.238 1.00 0.82 C ATOM 868 C PHE A 53 -0.755 -1.607 12.257 1.00 0.84 C ATOM 869 O PHE A 53 -0.737 -1.858 13.462 1.00 1.20 O ATOM 870 CB PHE A 53 0.786 -3.541 11.884 1.00 0.96 C ATOM 871 CG PHE A 53 0.480 -5.004 11.739 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.053 -5.500 10.561 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.726 -5.879 12.782 1.00 1.68 C ATOM 874 CE1 PHE A 53 -0.334 -6.847 10.426 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.447 -7.227 12.654 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.089 -7.709 11.468 1.00 1.96 C ATOM 0 H PHE A 53 1.113 -1.393 10.254 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.111 -3.234 10.914 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.759 -3.335 11.437 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.864 -3.297 12.944 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -0.251 -4.828 9.739 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.141 -5.505 13.706 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -0.746 -7.222 9.501 1.00 1.66 H new ATOM 0 HE2 PHE A 53 0.645 -7.902 13.473 1.00 2.08 H new ATOM 0 HZ PHE A 53 -0.313 -8.760 11.364 1.00 1.96 H new ATOM 886 N SER A 54 -1.194 -0.451 11.766 1.00 0.79 N ATOM 887 CA SER A 54 -1.688 0.607 12.641 1.00 0.89 C ATOM 888 C SER A 54 -2.945 1.259 12.070 1.00 0.95 C ATOM 889 O SER A 54 -3.287 2.384 12.433 1.00 1.89 O ATOM 890 CB SER A 54 -0.605 1.665 12.853 1.00 1.00 C ATOM 891 OG SER A 54 -0.984 2.588 13.859 1.00 1.71 O ATOM 0 H SER A 54 -1.218 -0.224 10.772 1.00 0.79 H new ATOM 0 HA SER A 54 -1.945 0.155 13.599 1.00 0.89 H new ATOM 0 HB2 SER A 54 0.331 1.181 13.133 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.422 2.195 11.918 1.00 1.00 H new ATOM 0 HG SER A 54 -1.892 2.912 13.681 1.00 1.71 H new ATOM 897 N ASN A 55 -3.633 0.549 11.180 1.00 0.75 N ATOM 898 CA ASN A 55 -4.853 1.070 10.572 1.00 0.69 C ATOM 899 C ASN A 55 -4.552 2.262 9.665 1.00 0.66 C ATOM 900 O ASN A 55 -3.664 3.063 9.950 1.00 1.05 O ATOM 901 CB ASN A 55 -5.846 1.481 11.661 1.00 0.84 C ATOM 902 CG ASN A 55 -7.271 1.086 11.331 1.00 1.11 C ATOM 903 OD1 ASN A 55 -7.884 0.282 12.034 1.00 1.87 O ATOM 904 ND2 ASN A 55 -7.807 1.651 10.256 1.00 0.83 N ATOM 0 H ASN A 55 -3.368 -0.384 10.865 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.291 0.280 9.962 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.555 1.021 12.605 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.796 2.560 11.804 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.763 1.424 9.984 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.262 2.312 9.702 1.00 0.83 H new ATOM 911 N ILE A 56 -5.304 2.370 8.571 1.00 0.40 N ATOM 912 CA ILE A 56 -5.125 3.461 7.619 1.00 0.33 C ATOM 913 C ILE A 56 -6.469 4.057 7.211 1.00 0.31 C ATOM 914 O ILE A 56 -7.270 3.401 6.549 1.00 0.53 O ATOM 915 CB ILE A 56 -4.397 2.982 6.350 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.107 2.247 6.719 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.104 4.152 5.425 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.290 1.818 5.520 1.00 0.69 C ATOM 0 H ILE A 56 -6.044 1.713 8.323 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.522 4.220 8.118 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.049 2.287 5.821 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.498 2.894 7.350 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.357 1.367 7.312 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.589 3.792 4.534 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -5.040 4.630 5.135 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.473 4.875 5.941 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.390 1.303 5.858 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.881 1.145 4.899 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.009 2.696 4.938 1.00 0.69 H new ATOM 930 N LEU A 57 -6.713 5.303 7.608 1.00 0.44 N ATOM 931 CA LEU A 57 -7.966 5.972 7.273 1.00 0.45 C ATOM 932 C LEU A 57 -7.813 6.810 6.007 1.00 0.42 C ATOM 933 O LEU A 57 -8.640 6.735 5.099 1.00 0.60 O ATOM 934 CB LEU A 57 -8.435 6.853 8.436 1.00 0.48 C ATOM 935 CG LEU A 57 -9.731 6.396 9.115 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.770 5.990 8.077 1.00 0.72 C ATOM 937 CD2 LEU A 57 -9.454 5.249 10.074 1.00 1.60 C ATOM 0 H LEU A 57 -6.065 5.866 8.158 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.718 5.205 7.090 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.644 6.891 9.185 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.574 7.870 8.068 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.132 7.233 9.687 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.682 5.669 8.581 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.992 6.840 7.432 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.381 5.170 7.474 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -10.385 4.937 10.547 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -9.028 4.410 9.524 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -8.750 5.576 10.839 1.00 1.60 H new ATOM 949 N GLU A 58 -6.748 7.603 5.948 1.00 0.39 N ATOM 950 CA GLU A 58 -6.489 8.442 4.791 1.00 0.43 C ATOM 951 C GLU A 58 -5.672 7.671 3.765 1.00 0.51 C ATOM 952 O GLU A 58 -4.991 6.704 4.103 1.00 1.09 O ATOM 953 CB GLU A 58 -5.746 9.712 5.208 1.00 0.44 C ATOM 954 CG GLU A 58 -4.428 9.441 5.915 1.00 0.44 C ATOM 955 CD GLU A 58 -4.253 10.277 7.167 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.103 11.157 7.418 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.266 10.050 7.899 1.00 1.54 O ATOM 0 H GLU A 58 -6.052 7.680 6.690 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.442 8.729 4.346 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.556 10.319 4.323 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.387 10.299 5.865 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.372 8.385 6.178 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.605 9.643 5.230 1.00 0.44 H new ATOM 964 N ASN A 59 -5.741 8.100 2.514 1.00 0.31 N ATOM 965 CA ASN A 59 -4.999 7.433 1.450 1.00 0.28 C ATOM 966 C ASN A 59 -3.500 7.739 1.533 1.00 0.28 C ATOM 967 O ASN A 59 -2.709 7.193 0.764 1.00 0.49 O ATOM 968 CB ASN A 59 -5.537 7.819 0.067 1.00 0.32 C ATOM 969 CG ASN A 59 -7.010 8.187 0.081 1.00 0.86 C ATOM 970 OD1 ASN A 59 -7.797 7.615 0.837 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.391 9.144 -0.758 1.00 0.91 N ATOM 0 H ASN A 59 -6.297 8.899 2.210 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.139 6.361 1.590 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -4.962 8.661 -0.317 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.383 6.988 -0.621 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.369 9.432 -0.793 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.706 9.591 -1.367 1.00 0.91 H new ATOM 978 N GLU A 60 -3.110 8.598 2.475 1.00 0.29 N ATOM 979 CA GLU A 60 -1.709 8.951 2.655 1.00 0.29 C ATOM 980 C GLU A 60 -1.119 8.118 3.778 1.00 0.27 C ATOM 981 O GLU A 60 -1.266 8.451 4.953 1.00 0.35 O ATOM 982 CB GLU A 60 -1.562 10.439 2.981 1.00 0.34 C ATOM 983 CG GLU A 60 -0.132 10.852 3.284 1.00 0.49 C ATOM 984 CD GLU A 60 0.136 12.309 2.959 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.707 13.161 3.314 1.00 2.05 O ATOM 986 OE2 GLU A 60 1.188 12.598 2.352 1.00 1.91 O ATOM 0 H GLU A 60 -3.748 9.060 3.123 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.175 8.748 1.727 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -1.931 11.026 2.140 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.191 10.679 3.838 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.078 10.674 4.339 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.552 10.224 2.713 1.00 0.49 H new ATOM 993 N PHE A 61 -0.469 7.022 3.417 1.00 0.24 N ATOM 994 CA PHE A 61 0.115 6.143 4.415 1.00 0.24 C ATOM 995 C PHE A 61 1.616 5.982 4.210 1.00 0.24 C ATOM 996 O PHE A 61 2.149 6.299 3.148 1.00 0.25 O ATOM 997 CB PHE A 61 -0.577 4.782 4.370 1.00 0.28 C ATOM 998 CG PHE A 61 0.060 3.760 5.266 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.292 3.677 6.603 1.00 0.41 C ATOM 1000 CD2 PHE A 61 1.016 2.890 4.772 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.298 2.743 7.431 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.609 1.953 5.593 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.250 1.878 6.926 1.00 0.48 C ATOM 0 H PHE A 61 -0.334 6.723 2.451 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.035 6.594 5.396 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.622 4.904 4.656 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.568 4.412 3.345 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -1.036 4.350 7.002 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.301 2.945 3.732 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.016 2.688 8.472 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.353 1.279 5.195 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.712 1.145 7.571 1.00 0.48 H new ATOM 1013 N THR A 62 2.285 5.482 5.244 1.00 0.25 N ATOM 1014 CA THR A 62 3.720 5.271 5.193 1.00 0.27 C ATOM 1015 C THR A 62 4.087 3.882 5.697 1.00 0.29 C ATOM 1016 O THR A 62 3.934 3.578 6.880 1.00 0.35 O ATOM 1017 CB THR A 62 4.446 6.334 6.019 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.097 7.635 5.580 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.953 6.216 5.951 1.00 0.37 C ATOM 0 H THR A 62 1.851 5.216 6.128 1.00 0.25 H new ATOM 0 HA THR A 62 4.034 5.354 4.152 1.00 0.27 H new ATOM 0 HB THR A 62 4.130 6.167 7.049 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.700 7.909 4.858 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.407 6.999 6.558 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.259 5.240 6.329 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.280 6.323 4.917 1.00 0.37 H new ATOM 1027 N VAL A 63 4.577 3.046 4.790 1.00 0.31 N ATOM 1028 CA VAL A 63 4.972 1.689 5.137 1.00 0.36 C ATOM 1029 C VAL A 63 6.288 1.686 5.901 1.00 0.38 C ATOM 1030 O VAL A 63 7.339 2.036 5.359 1.00 0.50 O ATOM 1031 CB VAL A 63 5.112 0.809 3.884 1.00 0.44 C ATOM 1032 CG1 VAL A 63 5.154 -0.662 4.262 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.973 1.084 2.916 1.00 0.58 C ATOM 0 H VAL A 63 4.710 3.286 3.807 1.00 0.31 H new ATOM 0 HA VAL A 63 4.186 1.278 5.770 1.00 0.36 H new ATOM 0 HB VAL A 63 6.052 1.057 3.391 1.00 0.44 H new ATOM 0 HG11 VAL A 63 5.253 -1.267 3.361 1.00 1.08 H new ATOM 0 HG12 VAL A 63 6.006 -0.845 4.917 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.233 -0.931 4.780 1.00 1.08 H new ATOM 0 HG21 VAL A 63 4.085 0.454 2.034 1.00 0.58 H new ATOM 0 HG22 VAL A 63 3.022 0.863 3.401 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.994 2.132 2.618 1.00 0.58 H new ATOM 1043 N SER A 64 6.218 1.293 7.166 1.00 0.49 N ATOM 1044 CA SER A 64 7.399 1.244 8.019 1.00 0.55 C ATOM 1045 C SER A 64 7.863 -0.191 8.227 1.00 0.63 C ATOM 1046 O SER A 64 7.056 -1.089 8.462 1.00 0.99 O ATOM 1047 CB SER A 64 7.103 1.898 9.368 1.00 0.63 C ATOM 1048 OG SER A 64 5.742 1.736 9.726 1.00 1.33 O ATOM 0 H SER A 64 5.355 1.003 7.625 1.00 0.49 H new ATOM 0 HA SER A 64 8.198 1.794 7.522 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.739 1.458 10.136 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.346 2.960 9.322 1.00 0.63 H new ATOM 0 HG SER A 64 5.579 2.162 10.594 1.00 1.33 H new ATOM 1054 N GLY A 65 9.172 -0.395 8.140 1.00 0.71 N ATOM 1055 CA GLY A 65 9.732 -1.721 8.319 1.00 0.78 C ATOM 1056 C GLY A 65 10.537 -2.185 7.117 1.00 0.72 C ATOM 1057 O GLY A 65 10.934 -3.349 7.046 1.00 0.90 O ATOM 0 H GLY A 65 9.857 0.336 7.948 1.00 0.71 H new ATOM 0 HA2 GLY A 65 10.371 -1.725 9.202 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.925 -2.429 8.506 1.00 0.78 H new ATOM 1061 N LEU A 66 10.781 -1.279 6.170 1.00 0.64 N ATOM 1062 CA LEU A 66 11.543 -1.612 4.975 1.00 0.65 C ATOM 1063 C LEU A 66 12.861 -2.285 5.339 1.00 0.59 C ATOM 1064 O LEU A 66 13.154 -2.514 6.512 1.00 0.65 O ATOM 1065 CB LEU A 66 11.831 -0.347 4.166 1.00 0.74 C ATOM 1066 CG LEU A 66 10.715 0.102 3.224 1.00 0.89 C ATOM 1067 CD1 LEU A 66 10.509 -0.922 2.118 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.421 0.342 3.984 1.00 0.89 C ATOM 0 H LEU A 66 10.461 -0.311 6.211 1.00 0.64 H new ATOM 0 HA LEU A 66 10.947 -2.303 4.378 1.00 0.65 H new ATOM 0 HB2 LEU A 66 12.045 0.466 4.860 1.00 0.74 H new ATOM 0 HB3 LEU A 66 12.734 -0.511 3.578 1.00 0.74 H new ATOM 0 HG LEU A 66 11.014 1.046 2.769 1.00 0.89 H new ATOM 0 HD11 LEU A 66 9.711 -0.587 1.456 1.00 1.47 H new ATOM 0 HD12 LEU A 66 11.431 -1.032 1.548 1.00 1.47 H new ATOM 0 HD13 LEU A 66 10.237 -1.882 2.557 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.644 0.661 3.289 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.112 -0.580 4.476 1.00 0.89 H new ATOM 0 HD23 LEU A 66 9.578 1.118 4.733 1.00 0.89 H new ATOM 1080 N THR A 67 13.655 -2.585 4.319 1.00 0.65 N ATOM 1081 CA THR A 67 14.951 -3.218 4.514 1.00 0.69 C ATOM 1082 C THR A 67 15.952 -2.677 3.503 1.00 0.72 C ATOM 1083 O THR A 67 16.004 -3.133 2.361 1.00 1.06 O ATOM 1084 CB THR A 67 14.837 -4.737 4.376 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.870 -5.249 5.274 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.139 -5.459 4.645 1.00 0.99 C ATOM 0 H THR A 67 13.422 -2.399 3.344 1.00 0.65 H new ATOM 0 HA THR A 67 15.299 -2.988 5.521 1.00 0.69 H new ATOM 0 HB THR A 67 14.548 -4.914 3.340 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.096 -5.577 4.770 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.990 -6.533 4.531 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.896 -5.120 3.937 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.471 -5.245 5.661 1.00 0.99 H new ATOM 1094 N GLU A 68 16.740 -1.693 3.930 1.00 0.66 N ATOM 1095 CA GLU A 68 17.741 -1.071 3.063 1.00 0.67 C ATOM 1096 C GLU A 68 18.462 -2.102 2.197 1.00 0.60 C ATOM 1097 O GLU A 68 18.796 -3.192 2.659 1.00 0.69 O ATOM 1098 CB GLU A 68 18.757 -0.293 3.902 1.00 0.76 C ATOM 1099 CG GLU A 68 18.934 1.150 3.461 1.00 0.96 C ATOM 1100 CD GLU A 68 19.931 1.902 4.319 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.136 1.498 5.483 1.00 1.89 O ATOM 1102 OE2 GLU A 68 20.507 2.895 3.828 1.00 1.91 O ATOM 0 H GLU A 68 16.705 -1.307 4.874 1.00 0.66 H new ATOM 0 HA GLU A 68 17.217 -0.385 2.398 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.442 -0.309 4.945 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.721 -0.800 3.852 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.265 1.171 2.423 1.00 0.96 H new ATOM 0 HG3 GLU A 68 17.971 1.659 3.499 1.00 0.96 H new ATOM 1109 N ASP A 69 18.692 -1.744 0.938 1.00 0.52 N ATOM 1110 CA ASP A 69 19.369 -2.627 -0.006 1.00 0.49 C ATOM 1111 C ASP A 69 18.435 -3.737 -0.479 1.00 0.44 C ATOM 1112 O ASP A 69 18.870 -4.861 -0.731 1.00 0.54 O ATOM 1113 CB ASP A 69 20.627 -3.231 0.624 1.00 0.59 C ATOM 1114 CG ASP A 69 20.807 -4.692 0.261 1.00 1.06 C ATOM 1115 OD1 ASP A 69 19.790 -5.371 0.006 1.00 1.66 O ATOM 1116 OD2 ASP A 69 21.965 -5.160 0.233 1.00 1.87 O ATOM 0 H ASP A 69 18.418 -0.843 0.546 1.00 0.52 H new ATOM 0 HA ASP A 69 19.663 -2.031 -0.870 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.501 -2.667 0.297 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.571 -3.132 1.708 1.00 0.59 H new ATOM 1121 N ALA A 70 17.149 -3.416 -0.599 1.00 0.40 N ATOM 1122 CA ALA A 70 16.159 -4.390 -1.043 1.00 0.40 C ATOM 1123 C ALA A 70 14.950 -3.702 -1.669 1.00 0.35 C ATOM 1124 O ALA A 70 14.450 -2.709 -1.144 1.00 0.36 O ATOM 1125 CB ALA A 70 15.722 -5.265 0.121 1.00 0.49 C ATOM 0 H ALA A 70 16.770 -2.491 -0.395 1.00 0.40 H new ATOM 0 HA ALA A 70 16.622 -5.017 -1.805 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.983 -5.988 -0.225 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.586 -5.794 0.523 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.283 -4.642 0.900 1.00 0.49 H new ATOM 1131 N ALA A 71 14.484 -4.238 -2.792 1.00 0.33 N ATOM 1132 CA ALA A 71 13.332 -3.672 -3.482 1.00 0.30 C ATOM 1133 C ALA A 71 12.035 -4.130 -2.829 1.00 0.27 C ATOM 1134 O ALA A 71 11.852 -5.315 -2.553 1.00 0.36 O ATOM 1135 CB ALA A 71 13.352 -4.048 -4.955 1.00 0.34 C ATOM 0 H ALA A 71 14.885 -5.061 -3.242 1.00 0.33 H new ATOM 0 HA ALA A 71 13.388 -2.586 -3.405 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.484 -3.616 -5.453 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.262 -3.665 -5.416 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.324 -5.133 -5.054 1.00 0.34 H new ATOM 1141 N TYR A 72 11.139 -3.182 -2.574 1.00 0.24 N ATOM 1142 CA TYR A 72 9.863 -3.494 -1.939 1.00 0.24 C ATOM 1143 C TYR A 72 8.683 -2.954 -2.737 1.00 0.21 C ATOM 1144 O TYR A 72 8.659 -1.780 -3.106 1.00 0.23 O ATOM 1145 CB TYR A 72 9.819 -2.901 -0.535 1.00 0.30 C ATOM 1146 CG TYR A 72 10.568 -3.710 0.495 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.963 -4.772 1.163 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.888 -3.409 0.799 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.659 -5.507 2.105 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.589 -4.139 1.738 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.925 -5.215 2.399 1.00 0.46 C ATOM 1152 OH TYR A 72 12.670 -5.913 3.323 1.00 0.56 O ATOM 0 H TYR A 72 11.272 -2.195 -2.796 1.00 0.24 H new ATOM 0 HA TYR A 72 9.782 -4.580 -1.896 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.235 -1.894 -0.564 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.779 -2.808 -0.223 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.936 -5.025 0.942 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.376 -2.589 0.292 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.170 -6.328 2.609 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.617 -3.901 1.967 1.00 0.42 H new ATOM 0 HH TYR A 72 12.365 -6.844 3.354 1.00 0.56 H new ATOM 1162 N GLU A 73 7.694 -3.812 -2.981 1.00 0.21 N ATOM 1163 CA GLU A 73 6.500 -3.399 -3.716 1.00 0.21 C ATOM 1164 C GLU A 73 5.339 -3.227 -2.748 1.00 0.23 C ATOM 1165 O GLU A 73 5.277 -3.913 -1.728 1.00 0.32 O ATOM 1166 CB GLU A 73 6.129 -4.426 -4.787 1.00 0.25 C ATOM 1167 CG GLU A 73 7.252 -4.723 -5.763 1.00 0.65 C ATOM 1168 CD GLU A 73 6.790 -4.718 -7.207 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.831 -5.454 -7.526 1.00 1.32 O ATOM 1170 OE2 GLU A 73 7.385 -3.979 -8.019 1.00 1.50 O ATOM 0 H GLU A 73 7.695 -4.788 -2.684 1.00 0.21 H new ATOM 0 HA GLU A 73 6.713 -2.451 -4.211 1.00 0.21 H new ATOM 0 HB2 GLU A 73 5.828 -5.353 -4.300 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.264 -4.063 -5.342 1.00 0.25 H new ATOM 0 HG2 GLU A 73 8.043 -3.983 -5.636 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.684 -5.695 -5.528 1.00 0.65 H new ATOM 1177 N PHE A 74 4.423 -2.310 -3.044 1.00 0.22 N ATOM 1178 CA PHE A 74 3.289 -2.102 -2.120 1.00 0.28 C ATOM 1179 C PHE A 74 1.933 -1.889 -2.803 1.00 0.25 C ATOM 1180 O PHE A 74 1.713 -0.892 -3.488 1.00 0.30 O ATOM 1181 CB PHE A 74 3.561 -0.924 -1.170 1.00 0.39 C ATOM 1182 CG PHE A 74 5.014 -0.583 -1.010 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.798 -1.262 -0.095 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.594 0.418 -1.773 1.00 0.52 C ATOM 1185 CE1 PHE A 74 7.135 -0.952 0.057 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.931 0.733 -1.625 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.703 0.052 -0.720 1.00 0.53 C ATOM 0 H PHE A 74 4.429 -1.718 -3.875 1.00 0.22 H new ATOM 0 HA PHE A 74 3.216 -3.038 -1.565 1.00 0.28 H new ATOM 0 HB2 PHE A 74 3.032 -0.045 -1.539 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.145 -1.159 -0.190 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.359 -2.044 0.508 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.994 0.958 -2.491 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.737 -1.487 0.776 1.00 0.49 H new ATOM 0 HE2 PHE A 74 7.369 1.518 -2.224 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.750 0.294 -0.611 1.00 0.53 H new ATOM 1197 N ARG A 75 1.015 -2.829 -2.563 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.349 -2.764 -3.099 1.00 0.34 C ATOM 1199 C ARG A 75 -1.303 -2.496 -1.952 1.00 0.31 C ATOM 1200 O ARG A 75 -0.861 -2.416 -0.813 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.730 -4.086 -3.768 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.469 -5.300 -2.893 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.217 -6.530 -3.384 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.668 -7.048 -4.640 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.210 -6.856 -5.845 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.326 -6.148 -5.995 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.624 -7.377 -6.915 1.00 1.87 N ATOM 0 H ARG A 75 1.195 -3.655 -1.993 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.405 -1.969 -3.843 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.787 -4.059 -4.034 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.170 -4.190 -4.697 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.600 -5.510 -2.874 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.768 -5.079 -1.868 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.173 -7.308 -2.622 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.269 -6.281 -3.525 1.00 1.08 H new ATOM 0 HE ARG A 75 0.191 -7.595 -4.590 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.784 -5.740 -5.180 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.723 -6.013 -6.925 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.234 -7.919 -6.813 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.031 -7.235 -7.839 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.603 -2.370 -2.216 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.530 -2.130 -1.110 1.00 0.39 C ATOM 1223 C VAL A 76 -4.951 -2.614 -1.370 1.00 0.31 C ATOM 1224 O VAL A 76 -5.559 -2.362 -2.410 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.514 -0.642 -0.597 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -2.871 0.303 -1.596 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.891 -0.116 -0.189 1.00 0.47 C ATOM 0 H VAL A 76 -3.025 -2.427 -3.143 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.142 -2.752 -0.304 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.902 -0.668 0.305 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -2.883 1.317 -1.197 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -1.841 -0.004 -1.776 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -3.427 0.275 -2.533 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.800 0.915 0.153 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.564 -0.156 -1.045 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.292 -0.732 0.616 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.452 -3.295 -0.349 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.784 -3.839 -0.304 1.00 0.31 C ATOM 1239 C ILE A 77 -7.524 -3.110 0.808 1.00 0.30 C ATOM 1240 O ILE A 77 -6.889 -2.635 1.750 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.761 -5.353 0.009 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.438 -6.002 -0.433 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.924 -6.025 -0.674 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.201 -7.379 0.148 1.00 0.42 C ATOM 0 H ILE A 77 -4.915 -3.486 0.497 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.270 -3.708 -1.271 1.00 0.31 H new ATOM 0 HB ILE A 77 -6.845 -5.480 1.088 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -5.425 -6.071 -1.521 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.612 -5.351 -0.145 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.908 -7.092 -0.454 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.857 -5.594 -0.312 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -7.849 -5.876 -1.751 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.248 -7.767 -0.212 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -5.179 -7.316 1.236 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.005 -8.047 -0.161 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.839 -2.996 0.728 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.559 -2.290 1.784 1.00 0.30 C ATOM 1258 C ALA A 78 -11.029 -2.647 1.809 1.00 0.34 C ATOM 1259 O ALA A 78 -11.630 -2.919 0.777 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.383 -0.787 1.633 1.00 0.39 C ATOM 0 H ALA A 78 -9.417 -3.367 -0.027 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.131 -2.607 2.735 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.926 -0.275 2.428 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.324 -0.536 1.697 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.773 -0.470 0.666 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.605 -2.641 3.003 1.00 0.38 N ATOM 1267 CA LYS A 79 -13.010 -2.963 3.163 1.00 0.43 C ATOM 1268 C LYS A 79 -13.884 -1.863 2.552 1.00 0.59 C ATOM 1269 O LYS A 79 -13.573 -1.368 1.468 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.326 -3.206 4.640 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.573 -4.382 5.232 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.439 -5.629 5.245 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.893 -6.677 6.197 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.628 -6.116 7.550 1.00 1.98 N ATOM 0 H LYS A 79 -11.120 -2.417 3.872 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.236 -3.884 2.625 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.086 -2.307 5.208 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.397 -3.377 4.751 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.669 -4.569 4.653 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -12.258 -4.143 6.248 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -14.455 -5.364 5.538 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.495 -6.044 4.239 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.604 -7.499 6.278 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.971 -7.092 5.790 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -12.705 -6.872 8.260 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -11.670 -5.712 7.577 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.324 -5.372 7.760 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.976 -1.479 3.214 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.849 -0.452 2.673 1.00 0.70 C ATOM 1290 C ASN A 80 -16.651 0.237 3.773 1.00 0.87 C ATOM 1291 O ASN A 80 -16.471 1.414 4.064 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.746 -1.078 1.594 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.319 -2.426 1.985 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.017 -2.958 3.052 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -18.155 -2.983 1.117 1.00 2.05 N ATOM 0 H ASN A 80 -15.269 -1.861 4.113 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.248 0.331 2.211 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.566 -0.394 1.374 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.170 -1.190 0.675 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.576 -3.889 1.323 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -18.377 -2.505 0.244 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.516 -0.512 4.381 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.355 -0.026 5.464 1.00 0.82 C ATOM 1304 C ALA A 81 -19.278 -1.127 5.972 1.00 0.88 C ATOM 1305 O ALA A 81 -19.526 -1.241 7.174 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.173 1.178 5.031 1.00 0.83 C ATOM 0 H ALA A 81 -17.672 -1.492 4.147 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.695 0.281 6.275 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.790 1.517 5.863 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.503 1.982 4.724 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.814 0.901 4.194 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.788 -1.934 5.047 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.690 -3.025 5.392 1.00 0.90 C ATOM 1314 C ALA A 82 -19.937 -4.274 5.849 1.00 0.88 C ATOM 1315 O ALA A 82 -20.554 -5.263 6.246 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.586 -3.355 4.208 1.00 0.94 C ATOM 0 H ALA A 82 -19.591 -1.852 4.050 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.302 -2.691 6.230 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -22.257 -4.172 4.476 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -22.173 -2.477 3.940 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.971 -3.654 3.359 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.608 -4.235 5.794 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.825 -5.381 6.209 1.00 0.86 C ATOM 1324 C GLY A 83 -17.208 -6.118 5.036 1.00 0.78 C ATOM 1325 O GLY A 83 -16.286 -6.914 5.212 1.00 0.93 O ATOM 0 H GLY A 83 -18.064 -3.435 5.471 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -17.035 -5.052 6.884 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.459 -6.066 6.771 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.711 -5.852 3.832 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.188 -6.497 2.636 1.00 0.78 C ATOM 1331 C ALA A 84 -15.776 -6.006 2.362 1.00 0.76 C ATOM 1332 O ALA A 84 -15.430 -4.877 2.705 1.00 1.38 O ATOM 1333 CB ALA A 84 -18.094 -6.234 1.442 1.00 0.92 C ATOM 0 H ALA A 84 -18.475 -5.198 3.662 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.159 -7.574 2.801 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.684 -6.725 0.559 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -19.090 -6.628 1.647 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -18.158 -5.161 1.263 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.955 -6.854 1.758 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.582 -6.476 1.472 1.00 0.40 C ATOM 1341 C ILE A 85 -13.376 -6.104 0.012 1.00 0.38 C ATOM 1342 O ILE A 85 -13.451 -6.953 -0.876 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.594 -7.595 1.857 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.155 -7.075 1.809 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.762 -8.797 0.939 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.604 -6.697 3.168 1.00 0.79 C ATOM 0 H ILE A 85 -15.213 -7.795 1.461 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.381 -5.595 2.082 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.812 -7.913 2.877 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.516 -7.839 1.366 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -11.113 -6.205 1.154 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.056 -9.576 1.227 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.779 -9.180 1.023 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.571 -8.497 -0.092 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.581 -6.337 3.059 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.220 -5.911 3.605 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.614 -7.570 3.820 1.00 0.79 H new ATOM 1358 N SER A 86 -13.102 -4.825 -0.226 1.00 0.39 N ATOM 1359 CA SER A 86 -12.868 -4.340 -1.578 1.00 0.45 C ATOM 1360 C SER A 86 -11.553 -4.912 -2.118 1.00 0.44 C ATOM 1361 O SER A 86 -10.496 -4.745 -1.494 1.00 0.43 O ATOM 1362 CB SER A 86 -12.836 -2.807 -1.605 1.00 0.54 C ATOM 1363 OG SER A 86 -11.508 -2.316 -1.554 1.00 0.59 O ATOM 0 H SER A 86 -13.037 -4.110 0.498 1.00 0.39 H new ATOM 0 HA SER A 86 -13.687 -4.674 -2.215 1.00 0.45 H new ATOM 0 HB2 SER A 86 -13.324 -2.447 -2.511 1.00 0.54 H new ATOM 0 HB3 SER A 86 -13.403 -2.415 -0.761 1.00 0.54 H new ATOM 0 HG SER A 86 -11.050 -2.691 -0.773 1.00 0.59 H new ATOM 1369 N PRO A 87 -11.601 -5.605 -3.278 1.00 0.52 N ATOM 1370 CA PRO A 87 -10.426 -6.220 -3.894 1.00 0.61 C ATOM 1371 C PRO A 87 -9.164 -5.370 -3.774 1.00 0.54 C ATOM 1372 O PRO A 87 -9.231 -4.173 -3.492 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.819 -6.387 -5.369 1.00 0.85 C ATOM 1374 CG PRO A 87 -12.266 -6.007 -5.475 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.803 -5.859 -4.078 1.00 0.59 C ATOM 0 HA PRO A 87 -10.175 -7.157 -3.397 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -10.204 -5.752 -6.008 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -10.664 -7.415 -5.697 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -12.377 -5.074 -6.028 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -12.823 -6.769 -6.020 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -13.515 -5.037 -4.006 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -13.322 -6.759 -3.749 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.987 -5.991 -3.987 1.00 0.55 N ATOM 1384 CA PRO A 88 -6.690 -5.308 -3.902 1.00 0.56 C ATOM 1385 C PRO A 88 -6.484 -4.287 -5.011 1.00 0.48 C ATOM 1386 O PRO A 88 -7.258 -4.215 -5.965 1.00 0.68 O ATOM 1387 CB PRO A 88 -5.665 -6.444 -4.055 1.00 0.69 C ATOM 1388 CG PRO A 88 -6.435 -7.700 -3.830 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.820 -7.415 -4.322 1.00 0.72 C ATOM 0 HA PRO A 88 -6.605 -4.748 -2.971 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -5.211 -6.433 -5.046 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.856 -6.344 -3.332 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.990 -8.535 -4.372 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -6.442 -7.972 -2.775 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.916 -7.594 -5.393 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -8.564 -8.039 -3.826 1.00 0.72 H new ATOM 1397 N SER A 89 -5.417 -3.508 -4.876 1.00 0.43 N ATOM 1398 CA SER A 89 -5.069 -2.493 -5.859 1.00 0.42 C ATOM 1399 C SER A 89 -3.615 -2.666 -6.274 1.00 0.35 C ATOM 1400 O SER A 89 -2.732 -2.729 -5.416 1.00 0.51 O ATOM 1401 CB SER A 89 -5.293 -1.093 -5.286 1.00 0.56 C ATOM 1402 OG SER A 89 -6.403 -0.461 -5.898 1.00 1.28 O ATOM 0 H SER A 89 -4.773 -3.563 -4.087 1.00 0.43 H new ATOM 0 HA SER A 89 -5.710 -2.610 -6.733 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.456 -1.159 -4.210 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.399 -0.488 -5.436 1.00 0.56 H new ATOM 0 HG SER A 89 -6.711 0.279 -5.333 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.384 -2.753 -7.594 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.041 -2.934 -8.174 1.00 0.37 C ATOM 1410 C GLU A 90 -0.932 -2.372 -7.278 1.00 0.34 C ATOM 1411 O GLU A 90 -1.017 -1.235 -6.829 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.973 -2.270 -9.548 1.00 0.49 C ATOM 1413 CG GLU A 90 -0.970 -2.917 -10.487 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.429 -2.903 -11.931 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -2.369 -3.657 -12.263 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -0.852 -2.138 -12.731 1.00 1.77 O ATOM 0 H GLU A 90 -4.125 -2.700 -8.292 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.875 -4.007 -8.265 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.961 -2.302 -10.007 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.714 -1.219 -9.422 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.016 -2.396 -10.408 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -0.798 -3.947 -10.175 1.00 0.90 H new ATOM 1423 N PRO A 91 0.116 -3.165 -6.995 1.00 0.30 N ATOM 1424 CA PRO A 91 1.221 -2.729 -6.137 1.00 0.29 C ATOM 1425 C PRO A 91 1.991 -1.539 -6.687 1.00 0.31 C ATOM 1426 O PRO A 91 1.822 -1.138 -7.838 1.00 0.55 O ATOM 1427 CB PRO A 91 2.145 -3.945 -6.062 1.00 0.36 C ATOM 1428 CG PRO A 91 1.317 -5.101 -6.503 1.00 0.36 C ATOM 1429 CD PRO A 91 0.307 -4.546 -7.468 1.00 0.39 C ATOM 0 HA PRO A 91 0.838 -2.396 -5.172 1.00 0.29 H new ATOM 0 HB2 PRO A 91 3.015 -3.817 -6.706 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.518 -4.093 -5.048 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.934 -5.863 -6.980 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.825 -5.575 -5.653 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.673 -4.573 -8.494 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.624 -5.112 -7.446 1.00 0.39 H new ATOM 1437 N SER A 92 2.854 -0.995 -5.838 1.00 0.27 N ATOM 1438 CA SER A 92 3.689 0.135 -6.194 1.00 0.31 C ATOM 1439 C SER A 92 5.067 -0.370 -6.581 1.00 0.27 C ATOM 1440 O SER A 92 5.615 -1.249 -5.907 1.00 0.24 O ATOM 1441 CB SER A 92 3.792 1.120 -5.020 1.00 0.39 C ATOM 1442 OG SER A 92 5.096 1.667 -4.912 1.00 1.23 O ATOM 0 H SER A 92 2.991 -1.328 -4.884 1.00 0.27 H new ATOM 0 HA SER A 92 3.243 0.661 -7.038 1.00 0.31 H new ATOM 0 HB2 SER A 92 3.069 1.925 -5.155 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.532 0.610 -4.092 1.00 0.39 H new ATOM 0 HG SER A 92 5.645 1.092 -4.339 1.00 1.23 H new ATOM 1448 N ASP A 93 5.612 0.189 -7.665 1.00 0.33 N ATOM 1449 CA ASP A 93 6.932 -0.193 -8.170 1.00 0.36 C ATOM 1450 C ASP A 93 7.907 -0.476 -7.033 1.00 0.32 C ATOM 1451 O ASP A 93 7.976 0.270 -6.057 1.00 0.56 O ATOM 1452 CB ASP A 93 7.492 0.904 -9.076 1.00 0.45 C ATOM 1453 CG ASP A 93 6.518 1.308 -10.167 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.302 1.357 -9.888 1.00 1.55 O ATOM 1455 OD2 ASP A 93 6.972 1.573 -11.300 1.00 1.63 O ATOM 0 H ASP A 93 5.153 0.915 -8.214 1.00 0.33 H new ATOM 0 HA ASP A 93 6.811 -1.110 -8.747 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.740 1.777 -8.473 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.419 0.557 -9.531 1.00 0.45 H new ATOM 1460 N ALA A 94 8.650 -1.564 -7.169 1.00 0.33 N ATOM 1461 CA ALA A 94 9.614 -1.961 -6.157 1.00 0.28 C ATOM 1462 C ALA A 94 10.715 -0.919 -5.998 1.00 0.29 C ATOM 1463 O ALA A 94 11.296 -0.460 -6.982 1.00 0.41 O ATOM 1464 CB ALA A 94 10.231 -3.300 -6.519 1.00 0.34 C ATOM 0 H ALA A 94 8.603 -2.189 -7.974 1.00 0.33 H new ATOM 0 HA ALA A 94 9.083 -2.046 -5.209 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.952 -3.587 -5.754 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.448 -4.056 -6.583 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.737 -3.219 -7.481 1.00 0.34 H new ATOM 1470 N ILE A 95 11.007 -0.557 -4.757 1.00 0.25 N ATOM 1471 CA ILE A 95 12.046 0.421 -4.474 1.00 0.28 C ATOM 1472 C ILE A 95 13.159 -0.195 -3.637 1.00 0.26 C ATOM 1473 O ILE A 95 12.926 -0.667 -2.523 1.00 0.25 O ATOM 1474 CB ILE A 95 11.477 1.648 -3.746 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.340 2.245 -4.567 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.567 2.679 -3.502 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.973 1.942 -4.004 1.00 0.44 C ATOM 0 H ILE A 95 10.538 -0.927 -3.930 1.00 0.25 H new ATOM 0 HA ILE A 95 12.455 0.742 -5.432 1.00 0.28 H new ATOM 0 HB ILE A 95 11.088 1.339 -2.776 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.471 3.326 -4.623 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.398 1.863 -5.586 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.144 3.540 -2.985 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.354 2.239 -2.889 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.986 2.998 -4.456 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.210 2.396 -4.636 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.823 0.863 -3.973 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.897 2.348 -2.995 1.00 0.44 H new ATOM 1489 N THR A 96 14.370 -0.190 -4.186 1.00 0.29 N ATOM 1490 CA THR A 96 15.534 -0.748 -3.504 1.00 0.32 C ATOM 1491 C THR A 96 15.622 -0.248 -2.066 1.00 0.32 C ATOM 1492 O THR A 96 16.128 -0.944 -1.185 1.00 0.38 O ATOM 1493 CB THR A 96 16.811 -0.383 -4.261 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.597 -0.439 -5.660 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.980 -1.288 -3.939 1.00 0.43 C ATOM 0 H THR A 96 14.572 0.197 -5.108 1.00 0.29 H new ATOM 0 HA THR A 96 15.425 -1.832 -3.482 1.00 0.32 H new ATOM 0 HB THR A 96 17.058 0.628 -3.938 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.425 -0.201 -6.127 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.853 -0.972 -4.511 1.00 0.43 H new ATOM 0 HG22 THR A 96 18.203 -1.229 -2.874 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.727 -2.316 -4.200 1.00 0.43 H new ATOM 1503 N CYS A 97 15.125 0.961 -1.835 1.00 0.32 N ATOM 1504 CA CYS A 97 15.147 1.553 -0.503 1.00 0.36 C ATOM 1505 C CYS A 97 16.565 1.588 0.057 1.00 0.43 C ATOM 1506 O CYS A 97 16.774 1.391 1.253 1.00 0.64 O ATOM 1507 CB CYS A 97 14.234 0.761 0.437 1.00 0.38 C ATOM 1508 SG CYS A 97 12.484 1.198 0.311 1.00 1.10 S ATOM 0 H CYS A 97 14.702 1.550 -2.552 1.00 0.32 H new ATOM 0 HA CYS A 97 14.784 2.578 -0.580 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.348 -0.302 0.226 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.564 0.919 1.464 1.00 0.38 H new ATOM 0 HG CYS A 97 11.831 0.218 -0.239 1.00 1.10 H new ATOM 1514 N ARG A 98 17.536 1.840 -0.814 1.00 0.53 N ATOM 1515 CA ARG A 98 18.936 1.899 -0.394 1.00 0.63 C ATOM 1516 C ARG A 98 19.243 3.226 0.298 1.00 0.80 C ATOM 1517 O ARG A 98 19.039 3.364 1.504 1.00 1.04 O ATOM 1518 CB ARG A 98 19.884 1.663 -1.582 1.00 0.68 C ATOM 1519 CG ARG A 98 19.388 2.219 -2.909 1.00 0.74 C ATOM 1520 CD ARG A 98 20.542 2.666 -3.793 1.00 0.92 C ATOM 1521 NE ARG A 98 20.989 1.602 -4.688 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.008 1.730 -5.532 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.682 2.869 -5.593 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.355 0.717 -6.314 1.00 2.68 N ATOM 0 H ARG A 98 17.384 2.006 -1.809 1.00 0.53 H new ATOM 0 HA ARG A 98 19.102 1.098 0.326 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.850 2.112 -1.353 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.049 0.591 -1.691 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.804 1.458 -3.428 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.722 3.062 -2.725 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.234 3.530 -4.382 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.375 2.987 -3.167 1.00 0.92 H new ATOM 0 HE ARG A 98 20.492 0.712 -4.664 1.00 1.64 H new ATOM 0 HH11 ARG A 98 22.419 3.650 -4.992 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.464 2.965 -6.241 1.00 3.00 H new ATOM 0 HH21 ARG A 98 21.840 -0.162 -6.269 1.00 2.68 H new ATOM 0 HH22 ARG A 98 23.137 0.817 -6.961 1.00 2.68 H new ATOM 1538 N ASP A 99 19.731 4.199 -0.460 1.00 0.92 N ATOM 1539 CA ASP A 99 20.057 5.505 0.091 1.00 1.20 C ATOM 1540 C ASP A 99 19.021 6.540 -0.336 1.00 1.03 C ATOM 1541 O ASP A 99 19.302 7.738 -0.372 1.00 1.20 O ATOM 1542 CB ASP A 99 21.446 5.939 -0.370 1.00 1.61 C ATOM 1543 CG ASP A 99 21.496 6.242 -1.855 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.417 6.417 -2.461 1.00 2.14 O ATOM 1545 OD2 ASP A 99 22.611 6.303 -2.413 1.00 2.08 O ATOM 0 H ASP A 99 19.910 4.107 -1.460 1.00 0.92 H new ATOM 0 HA ASP A 99 20.050 5.432 1.178 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.751 6.824 0.189 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.164 5.153 -0.138 1.00 1.61 H new ATOM 1550 N ASP A 100 17.822 6.065 -0.660 1.00 0.85 N ATOM 1551 CA ASP A 100 16.740 6.938 -1.086 1.00 0.92 C ATOM 1552 C ASP A 100 17.066 7.655 -2.393 1.00 1.22 C ATOM 1553 O ASP A 100 16.369 8.590 -2.788 1.00 1.38 O ATOM 1554 CB ASP A 100 16.438 7.948 0.011 1.00 0.87 C ATOM 1555 CG ASP A 100 15.156 8.718 -0.239 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.416 8.349 -1.175 1.00 2.03 O ATOM 1557 OD2 ASP A 100 14.893 9.688 0.501 1.00 2.06 O ATOM 0 H ASP A 100 17.577 5.075 -0.634 1.00 0.85 H new ATOM 0 HA ASP A 100 15.861 6.320 -1.268 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.365 7.429 0.967 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.268 8.649 0.092 1.00 0.87 H new