USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 539 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 21 ASN : amide:sc= -0.642 K(o=-0.95,f=-3.3!) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.311 X(o=-0.95,f=-0.87) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 10 SER OG : rot 50:sc= 0.103 USER MOD Single : A 13 ASN : amide:sc= 0.616 K(o=0.62,f=-3.9!) USER MOD Single : A 16 SER OG : rot 12:sc= 0.676 USER MOD Single : A 20 THR OG1 : rot -126:sc= 0.887 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.129 K(o=0.13,f=-5.3!) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.534 K(o=-0.53,f=0) USER MOD Single : A 38 SER OG : rot -160:sc= -0.308 USER MOD Single : A 40 ASN : amide:sc= -0.593 K(o=-0.59,f=-0.012) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 72:sc= 1.18 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0103 USER MOD Single : A 49 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.023) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -112:sc= 0.692 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.802 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= -0.0312 (180deg=-0.275) USER MOD Single : A 65 HIS : no HD1:sc= -0.55 K(o=-0.55,f=-0.038) USER MOD Single : A 66 HIS : no HE2:sc= 0.573 K(o=0.57,f=-1.8!) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.415 X(o=-0.41,f=-0.74) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.683 9.586 -24.807 1.00 0.31 N ATOM 2 CA MET A 1 9.311 9.345 -24.308 1.00 3.53 C ATOM 3 C MET A 1 8.903 7.903 -24.577 1.00 40.52 C ATOM 4 O MET A 1 8.908 7.449 -25.722 1.00 45.42 O ATOM 5 CB MET A 1 8.312 10.299 -24.970 1.00 64.05 C ATOM 6 CG MET A 1 6.875 10.075 -24.529 1.00 54.42 C ATOM 7 SD MET A 1 5.709 11.172 -25.363 1.00 61.11 S ATOM 8 CE MET A 1 4.154 10.566 -24.705 1.00 72.32 C ATOM 0 H1 MET A 1 10.952 10.573 -24.619 1.00 0.31 H new ATOM 0 H2 MET A 1 11.346 8.948 -24.322 1.00 0.31 H new ATOM 0 H3 MET A 1 10.716 9.407 -25.831 1.00 0.31 H new ATOM 0 HA MET A 1 9.303 9.528 -23.234 1.00 3.53 H new ATOM 0 HB2 MET A 1 8.597 11.326 -24.743 1.00 64.05 H new ATOM 0 HB3 MET A 1 8.374 10.183 -26.052 1.00 64.05 H new ATOM 0 HG2 MET A 1 6.597 9.040 -24.725 1.00 54.42 H new ATOM 0 HG3 MET A 1 6.802 10.226 -23.452 1.00 54.42 H new ATOM 0 HE1 MET A 1 3.331 11.144 -25.126 1.00 72.32 H new ATOM 0 HE2 MET A 1 4.032 9.516 -24.969 1.00 72.32 H new ATOM 0 HE3 MET A 1 4.153 10.670 -23.620 1.00 72.32 H new ATOM 20 N ILE A 2 8.558 7.190 -23.516 1.00 33.14 N ATOM 21 CA ILE A 2 8.155 5.791 -23.623 1.00 11.23 C ATOM 22 C ILE A 2 6.899 5.537 -22.784 1.00 22.33 C ATOM 23 O ILE A 2 6.166 4.573 -23.000 1.00 41.11 O ATOM 24 CB ILE A 2 9.296 4.848 -23.163 1.00 54.03 C ATOM 25 CG1 ILE A 2 8.947 3.383 -23.435 1.00 35.12 C ATOM 26 CG2 ILE A 2 9.601 5.050 -21.686 1.00 12.42 C ATOM 27 CD1 ILE A 2 8.809 3.061 -24.906 1.00 13.44 C ATOM 0 H ILE A 2 8.548 7.557 -22.564 1.00 33.14 H new ATOM 0 HA ILE A 2 7.936 5.581 -24.670 1.00 11.23 H new ATOM 0 HB ILE A 2 10.185 5.100 -23.741 1.00 54.03 H new ATOM 0 HG12 ILE A 2 9.719 2.747 -23.002 1.00 35.12 H new ATOM 0 HG13 ILE A 2 8.013 3.140 -22.928 1.00 35.12 H new ATOM 0 HG21 ILE A 2 10.405 4.378 -21.385 1.00 12.42 H new ATOM 0 HG22 ILE A 2 9.908 6.082 -21.516 1.00 12.42 H new ATOM 0 HG23 ILE A 2 8.709 4.835 -21.098 1.00 12.42 H new ATOM 0 HD11 ILE A 2 8.561 2.006 -25.026 1.00 13.44 H new ATOM 0 HD12 ILE A 2 8.017 3.672 -25.339 1.00 13.44 H new ATOM 0 HD13 ILE A 2 9.750 3.273 -25.415 1.00 13.44 H new ATOM 39 N GLY A 3 6.655 6.431 -21.840 1.00 63.43 N ATOM 40 CA GLY A 3 5.543 6.290 -20.922 1.00 21.23 C ATOM 41 C GLY A 3 5.734 7.228 -19.761 1.00 15.22 C ATOM 42 O GLY A 3 5.639 6.840 -18.596 1.00 35.40 O ATOM 0 H GLY A 3 7.219 7.268 -21.691 1.00 63.43 H new ATOM 0 HA2 GLY A 3 4.605 6.511 -21.432 1.00 21.23 H new ATOM 0 HA3 GLY A 3 5.478 5.262 -20.567 1.00 21.23 H new ATOM 46 N ASP A 4 6.022 8.468 -20.106 1.00 74.22 N ATOM 47 CA ASP A 4 6.492 9.464 -19.159 1.00 75.01 C ATOM 48 C ASP A 4 5.337 10.101 -18.407 1.00 41.23 C ATOM 49 O ASP A 4 4.200 10.099 -18.882 1.00 62.34 O ATOM 50 CB ASP A 4 7.292 10.539 -19.903 1.00 72.00 C ATOM 51 CG ASP A 4 8.472 9.969 -20.675 1.00 62.40 C ATOM 52 OD1 ASP A 4 8.271 9.044 -21.499 1.00 44.22 O ATOM 53 OD2 ASP A 4 9.608 10.441 -20.463 1.00 43.33 O ATOM 0 H ASP A 4 5.936 8.817 -21.061 1.00 74.22 H new ATOM 0 HA ASP A 4 7.132 8.969 -18.428 1.00 75.01 H new ATOM 0 HB2 ASP A 4 6.632 11.064 -20.593 1.00 72.00 H new ATOM 0 HB3 ASP A 4 7.655 11.276 -19.187 1.00 72.00 H new ATOM 58 N TYR A 5 5.650 10.636 -17.230 1.00 63.32 N ATOM 59 CA TYR A 5 4.675 11.314 -16.380 1.00 55.12 C ATOM 60 C TYR A 5 3.570 10.368 -15.940 1.00 40.45 C ATOM 61 O TYR A 5 2.446 10.418 -16.447 1.00 30.31 O ATOM 62 CB TYR A 5 4.084 12.544 -17.075 1.00 54.31 C ATOM 63 CG TYR A 5 5.029 13.720 -17.122 1.00 21.43 C ATOM 64 CD1 TYR A 5 6.055 13.778 -18.055 1.00 73.53 C ATOM 65 CD2 TYR A 5 4.894 14.771 -16.226 1.00 32.11 C ATOM 66 CE1 TYR A 5 6.920 14.851 -18.093 1.00 71.32 C ATOM 67 CE2 TYR A 5 5.756 15.847 -16.257 1.00 44.50 C ATOM 68 CZ TYR A 5 6.767 15.883 -17.193 1.00 72.33 C ATOM 69 OH TYR A 5 7.629 16.952 -17.224 1.00 30.53 O ATOM 0 H TYR A 5 6.591 10.611 -16.837 1.00 63.32 H new ATOM 0 HA TYR A 5 5.206 11.652 -15.490 1.00 55.12 H new ATOM 0 HB2 TYR A 5 3.800 12.275 -18.092 1.00 54.31 H new ATOM 0 HB3 TYR A 5 3.172 12.841 -16.557 1.00 54.31 H new ATOM 0 HD1 TYR A 5 6.178 12.971 -18.762 1.00 73.53 H new ATOM 0 HD2 TYR A 5 4.101 14.746 -15.493 1.00 32.11 H new ATOM 0 HE1 TYR A 5 7.714 14.882 -18.825 1.00 71.32 H new ATOM 0 HE2 TYR A 5 5.640 16.657 -15.552 1.00 44.50 H new ATOM 0 HH TYR A 5 7.382 17.592 -16.524 1.00 30.53 H new ATOM 79 N TYR A 6 3.904 9.487 -15.014 1.00 74.12 N ATOM 80 CA TYR A 6 2.919 8.606 -14.428 1.00 23.12 C ATOM 81 C TYR A 6 2.428 9.204 -13.114 1.00 23.42 C ATOM 82 O TYR A 6 3.082 9.104 -12.077 1.00 40.54 O ATOM 83 CB TYR A 6 3.478 7.180 -14.246 1.00 54.11 C ATOM 84 CG TYR A 6 4.748 7.056 -13.419 1.00 54.02 C ATOM 85 CD1 TYR A 6 5.982 7.435 -13.933 1.00 31.43 C ATOM 86 CD2 TYR A 6 4.709 6.532 -12.131 1.00 4.30 C ATOM 87 CE1 TYR A 6 7.139 7.299 -13.188 1.00 50.43 C ATOM 88 CE2 TYR A 6 5.862 6.389 -11.383 1.00 22.54 C ATOM 89 CZ TYR A 6 7.074 6.774 -11.914 1.00 72.33 C ATOM 90 OH TYR A 6 8.223 6.622 -11.170 1.00 53.22 O ATOM 0 H TYR A 6 4.851 9.365 -14.654 1.00 74.12 H new ATOM 0 HA TYR A 6 2.069 8.515 -15.104 1.00 23.12 H new ATOM 0 HB2 TYR A 6 2.706 6.566 -13.782 1.00 54.11 H new ATOM 0 HB3 TYR A 6 3.670 6.759 -15.233 1.00 54.11 H new ATOM 0 HD1 TYR A 6 6.038 7.843 -14.931 1.00 31.43 H new ATOM 0 HD2 TYR A 6 3.761 6.232 -11.708 1.00 4.30 H new ATOM 0 HE1 TYR A 6 8.089 7.602 -13.602 1.00 50.43 H new ATOM 0 HE2 TYR A 6 5.814 5.977 -10.386 1.00 22.54 H new ATOM 0 HH TYR A 6 7.999 6.240 -10.296 1.00 53.22 H new ATOM 100 N ILE A 7 1.284 9.869 -13.176 1.00 5.24 N ATOM 101 CA ILE A 7 0.781 10.620 -12.040 1.00 12.25 C ATOM 102 C ILE A 7 -0.750 10.606 -11.999 1.00 75.34 C ATOM 103 O ILE A 7 -1.416 11.327 -12.746 1.00 53.24 O ATOM 104 CB ILE A 7 1.322 12.079 -12.064 1.00 74.13 C ATOM 105 CG1 ILE A 7 0.722 12.914 -10.930 1.00 12.32 C ATOM 106 CG2 ILE A 7 1.068 12.742 -13.413 1.00 42.12 C ATOM 107 CD1 ILE A 7 1.180 12.481 -9.554 1.00 4.03 C ATOM 0 H ILE A 7 0.687 9.903 -14.003 1.00 5.24 H new ATOM 0 HA ILE A 7 1.141 10.136 -11.132 1.00 12.25 H new ATOM 0 HB ILE A 7 2.400 12.028 -11.911 1.00 74.13 H new ATOM 0 HG12 ILE A 7 0.988 13.960 -11.080 1.00 12.32 H new ATOM 0 HG13 ILE A 7 -0.365 12.851 -10.979 1.00 12.32 H new ATOM 0 HG21 ILE A 7 1.458 13.760 -13.397 1.00 42.12 H new ATOM 0 HG22 ILE A 7 1.568 12.174 -14.197 1.00 42.12 H new ATOM 0 HG23 ILE A 7 -0.004 12.767 -13.610 1.00 42.12 H new ATOM 0 HD11 ILE A 7 0.716 13.116 -8.799 1.00 4.03 H new ATOM 0 HD12 ILE A 7 0.890 11.444 -9.384 1.00 4.03 H new ATOM 0 HD13 ILE A 7 2.264 12.571 -9.486 1.00 4.03 H new ATOM 119 N ASN A 8 -1.290 9.742 -11.136 1.00 64.52 N ATOM 120 CA ASN A 8 -2.732 9.623 -10.908 1.00 63.13 C ATOM 121 C ASN A 8 -3.469 9.126 -12.146 1.00 31.12 C ATOM 122 O ASN A 8 -3.686 7.920 -12.294 1.00 61.22 O ATOM 123 CB ASN A 8 -3.336 10.947 -10.424 1.00 20.42 C ATOM 124 CG ASN A 8 -2.893 11.315 -9.021 1.00 53.34 C ATOM 125 OD1 ASN A 8 -1.893 12.011 -8.829 1.00 71.35 O ATOM 126 ND2 ASN A 8 -3.638 10.856 -8.026 1.00 40.41 N ATOM 0 H ASN A 8 -0.734 9.100 -10.571 1.00 64.52 H new ATOM 0 HA ASN A 8 -2.861 8.878 -10.123 1.00 63.13 H new ATOM 0 HB2 ASN A 8 -3.051 11.744 -11.111 1.00 20.42 H new ATOM 0 HB3 ASN A 8 -4.423 10.877 -10.450 1.00 20.42 H new ATOM 0 HD21 ASN A 8 -3.391 11.076 -7.061 1.00 40.41 H new ATOM 0 HD22 ASN A 8 -4.458 10.283 -8.225 1.00 40.41 H new ATOM 133 N ALA A 9 -3.836 10.055 -13.036 1.00 32.03 N ATOM 134 CA ALA A 9 -4.617 9.722 -14.224 1.00 63.02 C ATOM 135 C ALA A 9 -5.899 8.998 -13.823 1.00 14.14 C ATOM 136 O ALA A 9 -6.421 9.203 -12.722 1.00 2.34 O ATOM 137 CB ALA A 9 -3.791 8.873 -15.185 1.00 15.23 C ATOM 0 H ALA A 9 -3.602 11.044 -12.952 1.00 32.03 H new ATOM 0 HA ALA A 9 -4.888 10.645 -14.737 1.00 63.02 H new ATOM 0 HB1 ALA A 9 -4.388 8.634 -16.065 1.00 15.23 H new ATOM 0 HB2 ALA A 9 -2.903 9.427 -15.489 1.00 15.23 H new ATOM 0 HB3 ALA A 9 -3.490 7.950 -14.689 1.00 15.23 H new ATOM 143 N SER A 10 -6.427 8.191 -14.723 1.00 1.44 N ATOM 144 CA SER A 10 -7.549 7.335 -14.400 1.00 60.32 C ATOM 145 C SER A 10 -7.198 5.886 -14.720 1.00 11.25 C ATOM 146 O SER A 10 -7.540 5.364 -15.782 1.00 70.12 O ATOM 147 CB SER A 10 -8.809 7.784 -15.148 1.00 54.21 C ATOM 148 OG SER A 10 -8.544 7.996 -16.525 1.00 12.04 O ATOM 0 H SER A 10 -6.096 8.111 -15.684 1.00 1.44 H new ATOM 0 HA SER A 10 -7.761 7.411 -13.334 1.00 60.32 H new ATOM 0 HB2 SER A 10 -9.588 7.030 -15.038 1.00 54.21 H new ATOM 0 HB3 SER A 10 -9.190 8.703 -14.703 1.00 54.21 H new ATOM 0 HG SER A 10 -8.073 7.218 -16.891 1.00 12.04 H new ATOM 154 N ALA A 11 -6.475 5.257 -13.807 1.00 63.21 N ATOM 155 CA ALA A 11 -6.010 3.891 -13.998 1.00 33.23 C ATOM 156 C ALA A 11 -5.996 3.140 -12.674 1.00 33.53 C ATOM 157 O ALA A 11 -6.123 3.740 -11.606 1.00 54.11 O ATOM 158 CB ALA A 11 -4.623 3.883 -14.627 1.00 21.13 C ATOM 0 H ALA A 11 -6.195 5.674 -12.919 1.00 63.21 H new ATOM 0 HA ALA A 11 -6.700 3.386 -14.674 1.00 33.23 H new ATOM 0 HB1 ALA A 11 -4.291 2.854 -14.763 1.00 21.13 H new ATOM 0 HB2 ALA A 11 -4.660 4.383 -15.595 1.00 21.13 H new ATOM 0 HB3 ALA A 11 -3.924 4.407 -13.974 1.00 21.13 H new ATOM 164 N LEU A 12 -5.834 1.829 -12.749 1.00 72.13 N ATOM 165 CA LEU A 12 -5.851 0.990 -11.561 1.00 73.33 C ATOM 166 C LEU A 12 -4.481 0.358 -11.319 1.00 63.34 C ATOM 167 O LEU A 12 -3.968 -0.393 -12.145 1.00 41.34 O ATOM 168 CB LEU A 12 -6.940 -0.099 -11.661 1.00 63.03 C ATOM 169 CG LEU A 12 -6.759 -1.162 -12.759 1.00 63.24 C ATOM 170 CD1 LEU A 12 -7.795 -2.260 -12.602 1.00 70.25 C ATOM 171 CD2 LEU A 12 -6.862 -0.553 -14.148 1.00 21.14 C ATOM 0 H LEU A 12 -5.689 1.322 -13.622 1.00 72.13 H new ATOM 0 HA LEU A 12 -6.089 1.628 -10.710 1.00 73.33 H new ATOM 0 HB2 LEU A 12 -6.999 -0.610 -10.700 1.00 63.03 H new ATOM 0 HB3 LEU A 12 -7.899 0.393 -11.820 1.00 63.03 H new ATOM 0 HG LEU A 12 -5.761 -1.585 -12.648 1.00 63.24 H new ATOM 0 HD11 LEU A 12 -7.656 -3.006 -13.385 1.00 70.25 H new ATOM 0 HD12 LEU A 12 -7.680 -2.732 -11.626 1.00 70.25 H new ATOM 0 HD13 LEU A 12 -8.794 -1.832 -12.682 1.00 70.25 H new ATOM 0 HD21 LEU A 12 -6.729 -1.333 -14.898 1.00 21.14 H new ATOM 0 HD22 LEU A 12 -7.843 -0.093 -14.272 1.00 21.14 H new ATOM 0 HD23 LEU A 12 -6.088 0.205 -14.271 1.00 21.14 H new ATOM 183 N ASN A 13 -3.894 0.676 -10.176 1.00 12.33 N ATOM 184 CA ASN A 13 -2.586 0.145 -9.807 1.00 14.42 C ATOM 185 C ASN A 13 -2.734 -1.238 -9.173 1.00 23.14 C ATOM 186 O ASN A 13 -1.780 -2.003 -9.077 1.00 4.22 O ATOM 187 CB ASN A 13 -1.894 1.108 -8.836 1.00 53.43 C ATOM 188 CG ASN A 13 -0.401 0.867 -8.708 1.00 64.13 C ATOM 189 OD1 ASN A 13 0.042 0.041 -7.918 1.00 24.14 O ATOM 190 ND2 ASN A 13 0.389 1.608 -9.474 1.00 63.32 N ATOM 0 H ASN A 13 -4.303 1.302 -9.483 1.00 12.33 H new ATOM 0 HA ASN A 13 -1.975 0.046 -10.704 1.00 14.42 H new ATOM 0 HB2 ASN A 13 -2.062 2.132 -9.170 1.00 53.43 H new ATOM 0 HB3 ASN A 13 -2.355 1.014 -7.853 1.00 53.43 H new ATOM 0 HD21 ASN A 13 1.402 1.500 -9.417 1.00 63.32 H new ATOM 0 HD22 ASN A 13 -0.016 2.285 -10.120 1.00 63.32 H new ATOM 197 N VAL A 14 -3.965 -1.554 -8.773 1.00 43.11 N ATOM 198 CA VAL A 14 -4.254 -2.747 -7.975 1.00 15.10 C ATOM 199 C VAL A 14 -4.061 -4.052 -8.752 1.00 0.44 C ATOM 200 O VAL A 14 -4.020 -5.129 -8.168 1.00 31.21 O ATOM 201 CB VAL A 14 -5.685 -2.671 -7.394 1.00 71.11 C ATOM 202 CG1 VAL A 14 -6.726 -2.634 -8.503 1.00 65.40 C ATOM 203 CG2 VAL A 14 -5.960 -3.814 -6.427 1.00 20.33 C ATOM 0 H VAL A 14 -4.788 -0.993 -8.992 1.00 43.11 H new ATOM 0 HA VAL A 14 -3.530 -2.761 -7.161 1.00 15.10 H new ATOM 0 HB VAL A 14 -5.758 -1.741 -6.831 1.00 71.11 H new ATOM 0 HG11 VAL A 14 -7.723 -2.581 -8.065 1.00 65.40 H new ATOM 0 HG12 VAL A 14 -6.558 -1.759 -9.131 1.00 65.40 H new ATOM 0 HG13 VAL A 14 -6.644 -3.536 -9.109 1.00 65.40 H new ATOM 0 HG21 VAL A 14 -6.975 -3.727 -6.040 1.00 20.33 H new ATOM 0 HG22 VAL A 14 -5.851 -4.765 -6.948 1.00 20.33 H new ATOM 0 HG23 VAL A 14 -5.251 -3.770 -5.600 1.00 20.33 H new ATOM 213 N ARG A 15 -3.923 -3.970 -10.058 1.00 22.02 N ATOM 214 CA ARG A 15 -3.681 -5.171 -10.834 1.00 34.12 C ATOM 215 C ARG A 15 -2.211 -5.270 -11.202 1.00 24.33 C ATOM 216 O ARG A 15 -1.840 -5.143 -12.370 1.00 15.24 O ATOM 217 CB ARG A 15 -4.563 -5.201 -12.083 1.00 65.13 C ATOM 218 CG ARG A 15 -6.051 -5.132 -11.778 1.00 34.25 C ATOM 219 CD ARG A 15 -6.540 -6.362 -11.026 1.00 71.25 C ATOM 220 NE ARG A 15 -6.626 -7.542 -11.886 1.00 74.05 N ATOM 221 CZ ARG A 15 -6.638 -8.796 -11.435 1.00 14.52 C ATOM 222 NH1 ARG A 15 -6.513 -9.044 -10.138 1.00 51.10 N ATOM 223 NH2 ARG A 15 -6.764 -9.804 -12.287 1.00 21.23 N ATOM 0 H ARG A 15 -3.972 -3.105 -10.597 1.00 22.02 H new ATOM 0 HA ARG A 15 -3.942 -6.036 -10.224 1.00 34.12 H new ATOM 0 HB2 ARG A 15 -4.294 -4.365 -12.728 1.00 65.13 H new ATOM 0 HB3 ARG A 15 -4.357 -6.114 -12.642 1.00 65.13 H new ATOM 0 HG2 ARG A 15 -6.258 -4.240 -11.187 1.00 34.25 H new ATOM 0 HG3 ARG A 15 -6.607 -5.033 -12.710 1.00 34.25 H new ATOM 0 HD2 ARG A 15 -5.865 -6.569 -10.195 1.00 71.25 H new ATOM 0 HD3 ARG A 15 -7.520 -6.156 -10.596 1.00 71.25 H new ATOM 0 HE ARG A 15 -6.680 -7.396 -12.894 1.00 74.05 H new ATOM 0 HH11 ARG A 15 -6.407 -8.273 -9.479 1.00 51.10 H new ATOM 0 HH12 ARG A 15 -6.523 -10.006 -9.799 1.00 51.10 H new ATOM 0 HH21 ARG A 15 -6.852 -9.619 -13.286 1.00 21.23 H new ATOM 0 HH22 ARG A 15 -6.773 -10.764 -11.943 1.00 21.23 H new ATOM 237 N SER A 16 -1.384 -5.473 -10.173 1.00 51.31 N ATOM 238 CA SER A 16 0.067 -5.603 -10.315 1.00 64.31 C ATOM 239 C SER A 16 0.646 -4.497 -11.200 1.00 45.34 C ATOM 240 O SER A 16 1.452 -4.757 -12.099 1.00 22.43 O ATOM 241 CB SER A 16 0.424 -6.996 -10.860 1.00 70.11 C ATOM 242 OG SER A 16 -0.153 -7.232 -12.138 1.00 10.25 O ATOM 0 H SER A 16 -1.707 -5.552 -9.209 1.00 51.31 H new ATOM 0 HA SER A 16 0.517 -5.492 -9.328 1.00 64.31 H new ATOM 0 HB2 SER A 16 1.508 -7.092 -10.928 1.00 70.11 H new ATOM 0 HB3 SER A 16 0.080 -7.758 -10.161 1.00 70.11 H new ATOM 0 HG SER A 16 -0.511 -6.393 -12.495 1.00 10.25 H new ATOM 248 N GLY A 17 0.237 -3.261 -10.927 1.00 14.02 N ATOM 249 CA GLY A 17 0.647 -2.140 -11.749 1.00 34.23 C ATOM 250 C GLY A 17 2.091 -1.736 -11.516 1.00 43.44 C ATOM 251 O GLY A 17 3.004 -2.266 -12.151 1.00 1.33 O ATOM 0 H GLY A 17 -0.374 -3.017 -10.147 1.00 14.02 H new ATOM 0 HA2 GLY A 17 0.512 -2.397 -12.800 1.00 34.23 H new ATOM 0 HA3 GLY A 17 -0.001 -1.288 -11.543 1.00 34.23 H new ATOM 255 N GLU A 18 2.303 -0.808 -10.594 1.00 4.44 N ATOM 256 CA GLU A 18 3.633 -0.273 -10.347 1.00 31.51 C ATOM 257 C GLU A 18 3.701 0.404 -8.981 1.00 11.22 C ATOM 258 O GLU A 18 3.077 1.438 -8.753 1.00 52.20 O ATOM 259 CB GLU A 18 4.017 0.705 -11.464 1.00 62.44 C ATOM 260 CG GLU A 18 5.367 1.374 -11.267 1.00 73.41 C ATOM 261 CD GLU A 18 5.862 2.065 -12.519 1.00 42.42 C ATOM 262 OE1 GLU A 18 5.092 2.842 -13.127 1.00 13.51 O ATOM 263 OE2 GLU A 18 7.027 1.831 -12.907 1.00 65.24 O ATOM 0 H GLU A 18 1.571 -0.410 -10.005 1.00 4.44 H new ATOM 0 HA GLU A 18 4.347 -1.096 -10.343 1.00 31.51 H new ATOM 0 HB2 GLU A 18 4.024 0.170 -12.414 1.00 62.44 H new ATOM 0 HB3 GLU A 18 3.249 1.475 -11.537 1.00 62.44 H new ATOM 0 HG2 GLU A 18 5.293 2.102 -10.459 1.00 73.41 H new ATOM 0 HG3 GLU A 18 6.097 0.627 -10.956 1.00 73.41 H new ATOM 270 N GLY A 19 4.451 -0.204 -8.078 1.00 52.10 N ATOM 271 CA GLY A 19 4.619 0.333 -6.746 1.00 3.10 C ATOM 272 C GLY A 19 5.752 -0.363 -6.033 1.00 25.04 C ATOM 273 O GLY A 19 6.531 -1.069 -6.670 1.00 23.21 O ATOM 0 H GLY A 19 4.954 -1.075 -8.248 1.00 52.10 H new ATOM 0 HA2 GLY A 19 4.820 1.403 -6.802 1.00 3.10 H new ATOM 0 HA3 GLY A 19 3.696 0.211 -6.180 1.00 3.10 H new ATOM 277 N THR A 20 5.850 -0.178 -4.724 1.00 71.24 N ATOM 278 CA THR A 20 6.879 -0.847 -3.946 1.00 32.11 C ATOM 279 C THR A 20 6.578 -2.343 -3.864 1.00 64.44 C ATOM 280 O THR A 20 7.461 -3.182 -4.050 1.00 21.00 O ATOM 281 CB THR A 20 6.974 -0.248 -2.532 1.00 72.30 C ATOM 282 OG1 THR A 20 6.909 1.180 -2.618 1.00 52.13 O ATOM 283 CG2 THR A 20 8.267 -0.661 -1.851 1.00 71.43 C ATOM 0 H THR A 20 5.232 0.427 -4.182 1.00 71.24 H new ATOM 0 HA THR A 20 7.838 -0.700 -4.443 1.00 32.11 H new ATOM 0 HB THR A 20 6.141 -0.624 -1.938 1.00 72.30 H new ATOM 0 HG1 THR A 20 7.678 1.571 -2.152 1.00 52.13 H new ATOM 0 HG21 THR A 20 8.308 -0.224 -0.853 1.00 71.43 H new ATOM 0 HG22 THR A 20 8.306 -1.748 -1.773 1.00 71.43 H new ATOM 0 HG23 THR A 20 9.116 -0.308 -2.437 1.00 71.43 H new ATOM 291 N ASN A 21 5.320 -2.668 -3.595 1.00 50.23 N ATOM 292 CA ASN A 21 4.864 -4.051 -3.617 1.00 10.00 C ATOM 293 C ASN A 21 3.745 -4.191 -4.639 1.00 14.55 C ATOM 294 O ASN A 21 2.572 -3.995 -4.329 1.00 70.55 O ATOM 295 CB ASN A 21 4.388 -4.494 -2.230 1.00 25.50 C ATOM 296 CG ASN A 21 4.182 -5.997 -2.125 1.00 41.41 C ATOM 297 OD1 ASN A 21 3.803 -6.666 -3.089 1.00 30.14 O ATOM 298 ND2 ASN A 21 4.449 -6.542 -0.948 1.00 50.32 N ATOM 0 H ASN A 21 4.596 -1.990 -3.358 1.00 50.23 H new ATOM 0 HA ASN A 21 5.696 -4.696 -3.900 1.00 10.00 H new ATOM 0 HB2 ASN A 21 5.118 -4.180 -1.484 1.00 25.50 H new ATOM 0 HB3 ASN A 21 3.452 -3.987 -1.994 1.00 25.50 H new ATOM 0 HD21 ASN A 21 4.343 -7.548 -0.816 1.00 50.32 H new ATOM 0 HD22 ASN A 21 4.761 -5.956 -0.173 1.00 50.32 H new ATOM 305 N TYR A 22 4.131 -4.499 -5.868 1.00 45.12 N ATOM 306 CA TYR A 22 3.201 -4.561 -6.990 1.00 13.21 C ATOM 307 C TYR A 22 2.978 -6.003 -7.436 1.00 54.13 C ATOM 308 O TYR A 22 2.387 -6.245 -8.483 1.00 75.52 O ATOM 309 CB TYR A 22 3.727 -3.722 -8.165 1.00 60.10 C ATOM 310 CG TYR A 22 5.050 -4.206 -8.729 1.00 31.42 C ATOM 311 CD1 TYR A 22 6.249 -3.945 -8.076 1.00 23.31 C ATOM 312 CD2 TYR A 22 5.098 -4.932 -9.915 1.00 41.21 C ATOM 313 CE1 TYR A 22 7.454 -4.390 -8.585 1.00 61.04 C ATOM 314 CE2 TYR A 22 6.300 -5.384 -10.428 1.00 62.13 C ATOM 315 CZ TYR A 22 7.474 -5.109 -9.760 1.00 40.13 C ATOM 316 OH TYR A 22 8.672 -5.562 -10.267 1.00 2.45 O ATOM 0 H TYR A 22 5.097 -4.713 -6.118 1.00 45.12 H new ATOM 0 HA TYR A 22 2.246 -4.152 -6.660 1.00 13.21 H new ATOM 0 HB2 TYR A 22 2.982 -3.724 -8.961 1.00 60.10 H new ATOM 0 HB3 TYR A 22 3.840 -2.689 -7.837 1.00 60.10 H new ATOM 0 HD1 TYR A 22 6.239 -3.384 -7.153 1.00 23.31 H new ATOM 0 HD2 TYR A 22 4.181 -5.146 -10.444 1.00 41.21 H new ATOM 0 HE1 TYR A 22 8.376 -4.175 -8.064 1.00 61.04 H new ATOM 0 HE2 TYR A 22 6.319 -5.950 -11.348 1.00 62.13 H new ATOM 0 HH TYR A 22 8.510 -6.052 -11.100 1.00 2.45 H new ATOM 326 N ARG A 23 3.468 -6.946 -6.629 1.00 4.32 N ATOM 327 CA ARG A 23 3.472 -8.372 -6.977 1.00 34.05 C ATOM 328 C ARG A 23 2.143 -8.832 -7.577 1.00 14.35 C ATOM 329 O ARG A 23 2.103 -9.322 -8.706 1.00 34.35 O ATOM 330 CB ARG A 23 3.774 -9.202 -5.726 1.00 13.00 C ATOM 331 CG ARG A 23 5.198 -9.060 -5.216 1.00 14.33 C ATOM 332 CD ARG A 23 6.154 -9.955 -5.988 1.00 65.11 C ATOM 333 NE ARG A 23 5.791 -11.368 -5.854 1.00 72.42 N ATOM 334 CZ ARG A 23 6.645 -12.381 -5.980 1.00 11.44 C ATOM 335 NH1 ARG A 23 7.929 -12.153 -6.221 1.00 62.35 N ATOM 336 NH2 ARG A 23 6.210 -13.629 -5.849 1.00 32.14 N ATOM 0 H ARG A 23 3.874 -6.745 -5.715 1.00 4.32 H new ATOM 0 HA ARG A 23 4.243 -8.519 -7.733 1.00 34.05 H new ATOM 0 HB2 ARG A 23 3.085 -8.909 -4.934 1.00 13.00 H new ATOM 0 HB3 ARG A 23 3.581 -10.252 -5.945 1.00 13.00 H new ATOM 0 HG2 ARG A 23 5.517 -8.021 -5.306 1.00 14.33 H new ATOM 0 HG3 ARG A 23 5.234 -9.314 -4.157 1.00 14.33 H new ATOM 0 HD2 ARG A 23 6.147 -9.674 -7.041 1.00 65.11 H new ATOM 0 HD3 ARG A 23 7.170 -9.803 -5.625 1.00 65.11 H new ATOM 0 HE ARG A 23 4.817 -11.591 -5.650 1.00 72.42 H new ATOM 0 HH11 ARG A 23 8.269 -11.195 -6.311 1.00 62.35 H new ATOM 0 HH12 ARG A 23 8.577 -12.935 -6.316 1.00 62.35 H new ATOM 0 HH21 ARG A 23 5.225 -13.808 -5.653 1.00 32.14 H new ATOM 0 HH22 ARG A 23 6.861 -14.409 -5.945 1.00 32.14 H new ATOM 350 N ILE A 24 1.060 -8.676 -6.827 1.00 41.02 N ATOM 351 CA ILE A 24 -0.252 -9.100 -7.301 1.00 62.25 C ATOM 352 C ILE A 24 -1.237 -7.922 -7.319 1.00 64.34 C ATOM 353 O ILE A 24 -2.211 -7.923 -8.067 1.00 60.43 O ATOM 354 CB ILE A 24 -0.784 -10.288 -6.438 1.00 44.21 C ATOM 355 CG1 ILE A 24 -1.998 -10.985 -7.089 1.00 41.11 C ATOM 356 CG2 ILE A 24 -1.114 -9.830 -5.023 1.00 55.20 C ATOM 357 CD1 ILE A 24 -3.342 -10.351 -6.787 1.00 72.41 C ATOM 0 H ILE A 24 1.063 -8.262 -5.895 1.00 41.02 H new ATOM 0 HA ILE A 24 -0.155 -9.452 -8.328 1.00 62.25 H new ATOM 0 HB ILE A 24 0.017 -11.025 -6.383 1.00 44.21 H new ATOM 0 HG12 ILE A 24 -1.854 -10.997 -8.169 1.00 41.11 H new ATOM 0 HG13 ILE A 24 -2.021 -12.024 -6.759 1.00 41.11 H new ATOM 0 HG21 ILE A 24 -1.482 -10.676 -4.443 1.00 55.20 H new ATOM 0 HG22 ILE A 24 -0.216 -9.430 -4.551 1.00 55.20 H new ATOM 0 HG23 ILE A 24 -1.880 -9.055 -5.061 1.00 55.20 H new ATOM 0 HD11 ILE A 24 -4.130 -10.912 -7.289 1.00 72.41 H new ATOM 0 HD12 ILE A 24 -3.517 -10.363 -5.711 1.00 72.41 H new ATOM 0 HD13 ILE A 24 -3.347 -9.321 -7.144 1.00 72.41 H new ATOM 369 N ILE A 25 -0.935 -6.886 -6.548 1.00 52.54 N ATOM 370 CA ILE A 25 -1.877 -5.795 -6.312 1.00 53.15 C ATOM 371 C ILE A 25 -1.188 -4.436 -6.355 1.00 60.13 C ATOM 372 O ILE A 25 -0.063 -4.325 -6.843 1.00 72.53 O ATOM 373 CB ILE A 25 -2.614 -5.968 -4.961 1.00 31.54 C ATOM 374 CG1 ILE A 25 -1.670 -6.485 -3.859 1.00 70.30 C ATOM 375 CG2 ILE A 25 -3.797 -6.908 -5.138 1.00 34.22 C ATOM 376 CD1 ILE A 25 -0.619 -5.491 -3.406 1.00 33.14 C ATOM 0 H ILE A 25 -0.040 -6.776 -6.072 1.00 52.54 H new ATOM 0 HA ILE A 25 -2.610 -5.834 -7.118 1.00 53.15 H new ATOM 0 HB ILE A 25 -2.975 -4.990 -4.643 1.00 31.54 H new ATOM 0 HG12 ILE A 25 -2.268 -6.779 -2.996 1.00 70.30 H new ATOM 0 HG13 ILE A 25 -1.169 -7.383 -4.221 1.00 70.30 H new ATOM 0 HG21 ILE A 25 -4.313 -7.027 -4.185 1.00 34.22 H new ATOM 0 HG22 ILE A 25 -4.485 -6.492 -5.874 1.00 34.22 H new ATOM 0 HG23 ILE A 25 -3.442 -7.879 -5.482 1.00 34.22 H new ATOM 0 HD11 ILE A 25 -0.002 -5.943 -2.629 1.00 33.14 H new ATOM 0 HD12 ILE A 25 0.009 -5.214 -4.253 1.00 33.14 H new ATOM 0 HD13 ILE A 25 -1.107 -4.601 -3.009 1.00 33.14 H new ATOM 388 N GLY A 26 -1.873 -3.409 -5.854 1.00 51.51 N ATOM 389 CA GLY A 26 -1.304 -2.076 -5.839 1.00 72.50 C ATOM 390 C GLY A 26 -2.257 -1.029 -5.289 1.00 53.11 C ATOM 391 O GLY A 26 -2.160 -0.636 -4.130 1.00 71.11 O ATOM 0 H GLY A 26 -2.811 -3.479 -5.459 1.00 51.51 H new ATOM 0 HA2 GLY A 26 -0.394 -2.082 -5.239 1.00 72.50 H new ATOM 0 HA3 GLY A 26 -1.015 -1.799 -6.853 1.00 72.50 H new ATOM 395 N ALA A 27 -3.192 -0.593 -6.123 1.00 14.43 N ATOM 396 CA ALA A 27 -4.101 0.488 -5.764 1.00 2.24 C ATOM 397 C ALA A 27 -5.166 0.025 -4.777 1.00 72.22 C ATOM 398 O ALA A 27 -5.299 -1.165 -4.495 1.00 70.13 O ATOM 399 CB ALA A 27 -4.775 1.061 -7.001 1.00 52.53 C ATOM 0 H ALA A 27 -3.341 -0.974 -7.057 1.00 14.43 H new ATOM 0 HA ALA A 27 -3.501 1.263 -5.287 1.00 2.24 H new ATOM 0 HB1 ALA A 27 -5.449 1.866 -6.708 1.00 52.53 H new ATOM 0 HB2 ALA A 27 -4.017 1.451 -7.681 1.00 52.53 H new ATOM 0 HB3 ALA A 27 -5.343 0.277 -7.502 1.00 52.53 H new ATOM 405 N LEU A 28 -5.934 0.979 -4.271 1.00 62.25 N ATOM 406 CA LEU A 28 -7.045 0.695 -3.376 1.00 4.43 C ATOM 407 C LEU A 28 -8.367 0.995 -4.090 1.00 11.20 C ATOM 408 O LEU A 28 -8.840 2.129 -4.082 1.00 10.21 O ATOM 409 CB LEU A 28 -6.907 1.509 -2.077 1.00 4.02 C ATOM 410 CG LEU A 28 -7.852 1.116 -0.930 1.00 4.14 C ATOM 411 CD1 LEU A 28 -7.198 1.402 0.413 1.00 71.30 C ATOM 412 CD2 LEU A 28 -9.171 1.873 -1.027 1.00 71.21 C ATOM 0 H LEU A 28 -5.804 1.971 -4.470 1.00 62.25 H new ATOM 0 HA LEU A 28 -7.034 -0.360 -3.104 1.00 4.43 H new ATOM 0 HB2 LEU A 28 -5.880 1.418 -1.722 1.00 4.02 H new ATOM 0 HB3 LEU A 28 -7.071 2.561 -2.312 1.00 4.02 H new ATOM 0 HG LEU A 28 -8.055 0.048 -1.013 1.00 4.14 H new ATOM 0 HD11 LEU A 28 -7.878 1.119 1.216 1.00 71.30 H new ATOM 0 HD12 LEU A 28 -6.276 0.827 0.499 1.00 71.30 H new ATOM 0 HD13 LEU A 28 -6.971 2.465 0.488 1.00 71.30 H new ATOM 0 HD21 LEU A 28 -9.822 1.577 -0.204 1.00 71.21 H new ATOM 0 HD22 LEU A 28 -8.980 2.945 -0.971 1.00 71.21 H new ATOM 0 HD23 LEU A 28 -9.656 1.639 -1.975 1.00 71.21 H new ATOM 424 N PRO A 29 -8.929 -0.002 -4.797 1.00 52.20 N ATOM 425 CA PRO A 29 -10.175 0.174 -5.558 1.00 45.51 C ATOM 426 C PRO A 29 -11.398 0.357 -4.654 1.00 25.23 C ATOM 427 O PRO A 29 -12.131 1.336 -4.778 1.00 50.32 O ATOM 428 CB PRO A 29 -10.285 -1.121 -6.366 1.00 52.34 C ATOM 429 CG PRO A 29 -9.498 -2.129 -5.598 1.00 43.44 C ATOM 430 CD PRO A 29 -8.401 -1.372 -4.902 1.00 14.11 C ATOM 0 HA PRO A 29 -10.151 1.073 -6.174 1.00 45.51 H new ATOM 0 HB2 PRO A 29 -11.324 -1.431 -6.473 1.00 52.34 H new ATOM 0 HB3 PRO A 29 -9.885 -0.993 -7.372 1.00 52.34 H new ATOM 0 HG2 PRO A 29 -10.130 -2.647 -4.877 1.00 43.44 H new ATOM 0 HG3 PRO A 29 -9.085 -2.887 -6.263 1.00 43.44 H new ATOM 0 HD2 PRO A 29 -8.185 -1.794 -3.920 1.00 14.11 H new ATOM 0 HD3 PRO A 29 -7.472 -1.400 -5.472 1.00 14.11 H new ATOM 438 N GLN A 30 -11.617 -0.599 -3.761 1.00 32.44 N ATOM 439 CA GLN A 30 -12.662 -0.489 -2.751 1.00 12.21 C ATOM 440 C GLN A 30 -12.031 -0.527 -1.368 1.00 41.11 C ATOM 441 O GLN A 30 -12.443 0.187 -0.458 1.00 61.23 O ATOM 442 CB GLN A 30 -13.680 -1.629 -2.883 1.00 40.23 C ATOM 443 CG GLN A 30 -14.572 -1.553 -4.116 1.00 63.42 C ATOM 444 CD GLN A 30 -15.593 -0.426 -4.052 1.00 14.31 C ATOM 445 OE1 GLN A 30 -15.341 0.636 -3.486 1.00 61.45 O ATOM 446 NE2 GLN A 30 -16.766 -0.665 -4.614 1.00 40.50 N ATOM 0 H GLN A 30 -11.081 -1.465 -3.716 1.00 32.44 H new ATOM 0 HA GLN A 30 -13.186 0.455 -2.897 1.00 12.21 H new ATOM 0 HB2 GLN A 30 -13.142 -2.577 -2.900 1.00 40.23 H new ATOM 0 HB3 GLN A 30 -14.312 -1.637 -1.995 1.00 40.23 H new ATOM 0 HG2 GLN A 30 -13.948 -1.419 -5.000 1.00 63.42 H new ATOM 0 HG3 GLN A 30 -15.095 -2.502 -4.236 1.00 63.42 H new ATOM 0 HE21 GLN A 30 -16.938 -1.559 -5.075 1.00 40.50 H new ATOM 0 HE22 GLN A 30 -17.499 0.044 -4.587 1.00 40.50 H new ATOM 455 N GLY A 31 -11.023 -1.383 -1.220 1.00 24.12 N ATOM 456 CA GLY A 31 -10.299 -1.474 0.032 1.00 50.52 C ATOM 457 C GLY A 31 -10.794 -2.615 0.892 1.00 35.13 C ATOM 458 O GLY A 31 -10.301 -2.830 1.998 1.00 71.33 O ATOM 0 H GLY A 31 -10.695 -2.017 -1.949 1.00 24.12 H new ATOM 0 HA2 GLY A 31 -9.237 -1.609 -0.173 1.00 50.52 H new ATOM 0 HA3 GLY A 31 -10.402 -0.537 0.579 1.00 50.52 H new ATOM 462 N GLN A 32 -11.748 -3.367 0.358 1.00 61.32 N ATOM 463 CA GLN A 32 -12.396 -4.440 1.098 1.00 52.34 C ATOM 464 C GLN A 32 -11.503 -5.684 1.146 1.00 54.25 C ATOM 465 O GLN A 32 -11.813 -6.709 0.541 1.00 11.45 O ATOM 466 CB GLN A 32 -13.748 -4.764 0.455 1.00 23.23 C ATOM 467 CG GLN A 32 -14.641 -5.655 1.300 1.00 43.11 C ATOM 468 CD GLN A 32 -15.948 -5.990 0.606 1.00 32.32 C ATOM 469 OE1 GLN A 32 -16.008 -6.079 -0.622 1.00 12.42 O ATOM 470 NE2 GLN A 32 -17.004 -6.162 1.382 1.00 11.33 N ATOM 0 H GLN A 32 -12.092 -3.251 -0.595 1.00 61.32 H new ATOM 0 HA GLN A 32 -12.562 -4.112 2.124 1.00 52.34 H new ATOM 0 HB2 GLN A 32 -14.273 -3.831 0.251 1.00 23.23 H new ATOM 0 HB3 GLN A 32 -13.574 -5.249 -0.506 1.00 23.23 H new ATOM 0 HG2 GLN A 32 -14.111 -6.578 1.535 1.00 43.11 H new ATOM 0 HG3 GLN A 32 -14.853 -5.159 2.247 1.00 43.11 H new ATOM 0 HE21 GLN A 32 -16.912 -6.080 2.394 1.00 11.33 H new ATOM 0 HE22 GLN A 32 -17.911 -6.377 0.968 1.00 11.33 H new ATOM 479 N LYS A 33 -10.380 -5.557 1.849 1.00 72.24 N ATOM 480 CA LYS A 33 -9.422 -6.646 2.035 1.00 41.34 C ATOM 481 C LYS A 33 -8.248 -6.156 2.869 1.00 74.11 C ATOM 482 O LYS A 33 -7.856 -6.785 3.853 1.00 22.51 O ATOM 483 CB LYS A 33 -8.898 -7.183 0.696 1.00 55.50 C ATOM 484 CG LYS A 33 -9.265 -8.640 0.447 1.00 41.20 C ATOM 485 CD LYS A 33 -8.544 -9.202 -0.770 1.00 21.23 C ATOM 486 CE LYS A 33 -8.945 -10.645 -1.040 1.00 25.54 C ATOM 487 NZ LYS A 33 -8.130 -11.257 -2.122 1.00 51.32 N ATOM 0 H LYS A 33 -10.106 -4.689 2.309 1.00 72.24 H new ATOM 0 HA LYS A 33 -9.940 -7.457 2.546 1.00 41.34 H new ATOM 0 HB2 LYS A 33 -9.296 -6.572 -0.114 1.00 55.50 H new ATOM 0 HB3 LYS A 33 -7.813 -7.079 0.670 1.00 55.50 H new ATOM 0 HG2 LYS A 33 -9.013 -9.234 1.326 1.00 41.20 H new ATOM 0 HG3 LYS A 33 -10.342 -8.725 0.303 1.00 41.20 H new ATOM 0 HD2 LYS A 33 -8.772 -8.591 -1.643 1.00 21.23 H new ATOM 0 HD3 LYS A 33 -7.467 -9.146 -0.614 1.00 21.23 H new ATOM 0 HE2 LYS A 33 -8.832 -11.229 -0.127 1.00 25.54 H new ATOM 0 HE3 LYS A 33 -9.999 -10.683 -1.315 1.00 25.54 H new ATOM 0 HZ1 LYS A 33 -8.436 -12.239 -2.274 1.00 51.32 H new ATOM 0 HZ2 LYS A 33 -8.257 -10.715 -3.001 1.00 51.32 H new ATOM 0 HZ3 LYS A 33 -7.126 -11.245 -1.850 1.00 51.32 H new ATOM 501 N VAL A 34 -7.692 -5.020 2.466 1.00 13.42 N ATOM 502 CA VAL A 34 -6.562 -4.433 3.167 1.00 72.01 C ATOM 503 C VAL A 34 -7.030 -3.337 4.127 1.00 24.22 C ATOM 504 O VAL A 34 -6.538 -3.237 5.256 1.00 21.15 O ATOM 505 CB VAL A 34 -5.514 -3.876 2.170 1.00 62.32 C ATOM 506 CG1 VAL A 34 -6.094 -2.773 1.294 1.00 62.21 C ATOM 507 CG2 VAL A 34 -4.285 -3.381 2.909 1.00 73.13 C ATOM 0 H VAL A 34 -8.008 -4.488 1.655 1.00 13.42 H new ATOM 0 HA VAL A 34 -6.085 -5.220 3.751 1.00 72.01 H new ATOM 0 HB VAL A 34 -5.222 -4.695 1.512 1.00 62.32 H new ATOM 0 HG11 VAL A 34 -5.327 -2.410 0.610 1.00 62.21 H new ATOM 0 HG12 VAL A 34 -6.934 -3.167 0.722 1.00 62.21 H new ATOM 0 HG13 VAL A 34 -6.437 -1.951 1.923 1.00 62.21 H new ATOM 0 HG21 VAL A 34 -3.561 -2.994 2.192 1.00 73.13 H new ATOM 0 HG22 VAL A 34 -4.571 -2.588 3.600 1.00 73.13 H new ATOM 0 HG23 VAL A 34 -3.839 -4.205 3.466 1.00 73.13 H new ATOM 517 N GLN A 35 -8.013 -2.547 3.679 1.00 2.55 N ATOM 518 CA GLN A 35 -8.576 -1.445 4.463 1.00 22.20 C ATOM 519 C GLN A 35 -7.540 -0.350 4.727 1.00 20.44 C ATOM 520 O GLN A 35 -6.365 -0.484 4.376 1.00 62.33 O ATOM 521 CB GLN A 35 -9.172 -1.970 5.773 1.00 34.15 C ATOM 522 CG GLN A 35 -10.409 -2.833 5.557 1.00 33.22 C ATOM 523 CD GLN A 35 -10.910 -3.501 6.823 1.00 2.12 C ATOM 524 OE1 GLN A 35 -11.496 -4.584 6.771 1.00 53.21 O ATOM 525 NE2 GLN A 35 -10.702 -2.862 7.964 1.00 51.41 N ATOM 0 H GLN A 35 -8.441 -2.656 2.759 1.00 2.55 H new ATOM 0 HA GLN A 35 -9.376 -0.993 3.877 1.00 22.20 H new ATOM 0 HB2 GLN A 35 -8.417 -2.552 6.302 1.00 34.15 H new ATOM 0 HB3 GLN A 35 -9.431 -1.126 6.413 1.00 34.15 H new ATOM 0 HG2 GLN A 35 -11.205 -2.215 5.142 1.00 33.22 H new ATOM 0 HG3 GLN A 35 -10.182 -3.600 4.816 1.00 33.22 H new ATOM 0 HE21 GLN A 35 -10.213 -1.967 7.965 1.00 51.41 H new ATOM 0 HE22 GLN A 35 -11.031 -3.265 8.841 1.00 51.41 H new ATOM 534 N VAL A 36 -7.981 0.746 5.329 1.00 63.24 N ATOM 535 CA VAL A 36 -7.095 1.869 5.582 1.00 24.24 C ATOM 536 C VAL A 36 -6.352 1.700 6.907 1.00 45.40 C ATOM 537 O VAL A 36 -6.961 1.546 7.969 1.00 32.42 O ATOM 538 CB VAL A 36 -7.847 3.221 5.560 1.00 0.41 C ATOM 539 CG1 VAL A 36 -8.342 3.525 4.153 1.00 71.22 C ATOM 540 CG2 VAL A 36 -9.009 3.231 6.546 1.00 63.22 C ATOM 0 H VAL A 36 -8.940 0.879 5.649 1.00 63.24 H new ATOM 0 HA VAL A 36 -6.366 1.881 4.771 1.00 24.24 H new ATOM 0 HB VAL A 36 -7.147 3.998 5.866 1.00 0.41 H new ATOM 0 HG11 VAL A 36 -8.869 4.479 4.151 1.00 71.22 H new ATOM 0 HG12 VAL A 36 -7.493 3.579 3.472 1.00 71.22 H new ATOM 0 HG13 VAL A 36 -9.019 2.735 3.827 1.00 71.22 H new ATOM 0 HG21 VAL A 36 -9.514 4.196 6.503 1.00 63.22 H new ATOM 0 HG22 VAL A 36 -9.713 2.441 6.286 1.00 63.22 H new ATOM 0 HG23 VAL A 36 -8.632 3.063 7.555 1.00 63.22 H new ATOM 550 N ILE A 37 -5.032 1.697 6.831 1.00 3.13 N ATOM 551 CA ILE A 37 -4.202 1.608 8.020 1.00 63.10 C ATOM 552 C ILE A 37 -3.535 2.945 8.312 1.00 22.51 C ATOM 553 O ILE A 37 -3.643 3.466 9.424 1.00 72.35 O ATOM 554 CB ILE A 37 -3.136 0.501 7.888 1.00 63.21 C ATOM 555 CG1 ILE A 37 -3.816 -0.843 7.620 1.00 31.12 C ATOM 556 CG2 ILE A 37 -2.268 0.426 9.136 1.00 35.41 C ATOM 557 CD1 ILE A 37 -3.134 -1.676 6.563 1.00 53.34 C ATOM 0 H ILE A 37 -4.511 1.755 5.956 1.00 3.13 H new ATOM 0 HA ILE A 37 -4.855 1.348 8.853 1.00 63.10 H new ATOM 0 HB ILE A 37 -2.485 0.743 7.047 1.00 63.21 H new ATOM 0 HG12 ILE A 37 -3.852 -1.412 8.549 1.00 31.12 H new ATOM 0 HG13 ILE A 37 -4.847 -0.663 7.316 1.00 31.12 H new ATOM 0 HG21 ILE A 37 -1.525 -0.363 9.016 1.00 35.41 H new ATOM 0 HG22 ILE A 37 -1.763 1.380 9.286 1.00 35.41 H new ATOM 0 HG23 ILE A 37 -2.893 0.207 10.001 1.00 35.41 H new ATOM 0 HD11 ILE A 37 -3.676 -2.612 6.432 1.00 53.34 H new ATOM 0 HD12 ILE A 37 -3.121 -1.129 5.620 1.00 53.34 H new ATOM 0 HD13 ILE A 37 -2.111 -1.890 6.872 1.00 53.34 H new ATOM 569 N SER A 38 -2.848 3.497 7.319 1.00 23.24 N ATOM 570 CA SER A 38 -2.250 4.819 7.450 1.00 54.11 C ATOM 571 C SER A 38 -1.858 5.375 6.088 1.00 72.44 C ATOM 572 O SER A 38 -1.510 4.625 5.174 1.00 64.21 O ATOM 573 CB SER A 38 -1.028 4.766 8.372 1.00 14.54 C ATOM 574 OG SER A 38 -0.157 3.705 8.006 1.00 63.21 O ATOM 0 H SER A 38 -2.692 3.050 6.416 1.00 23.24 H new ATOM 0 HA SER A 38 -2.993 5.484 7.891 1.00 54.11 H new ATOM 0 HB2 SER A 38 -0.492 5.714 8.325 1.00 14.54 H new ATOM 0 HB3 SER A 38 -1.353 4.635 9.404 1.00 14.54 H new ATOM 0 HG SER A 38 0.426 3.485 8.762 1.00 63.21 H new ATOM 580 N GLU A 39 -1.901 6.691 5.976 1.00 22.03 N ATOM 581 CA GLU A 39 -1.567 7.376 4.736 1.00 34.51 C ATOM 582 C GLU A 39 -0.383 8.301 4.939 1.00 42.13 C ATOM 583 O GLU A 39 -0.229 8.915 5.997 1.00 1.41 O ATOM 584 CB GLU A 39 -2.758 8.188 4.243 1.00 74.15 C ATOM 585 CG GLU A 39 -3.536 7.529 3.121 1.00 44.44 C ATOM 586 CD GLU A 39 -2.967 7.872 1.760 1.00 73.43 C ATOM 587 OE1 GLU A 39 -2.011 7.201 1.324 1.00 54.02 O ATOM 588 OE2 GLU A 39 -3.469 8.833 1.133 1.00 73.11 O ATOM 0 H GLU A 39 -2.167 7.315 6.738 1.00 22.03 H new ATOM 0 HA GLU A 39 -1.309 6.622 3.993 1.00 34.51 H new ATOM 0 HB2 GLU A 39 -3.432 8.369 5.080 1.00 74.15 H new ATOM 0 HB3 GLU A 39 -2.404 9.161 3.902 1.00 74.15 H new ATOM 0 HG2 GLU A 39 -3.524 6.448 3.257 1.00 44.44 H new ATOM 0 HG3 GLU A 39 -4.578 7.844 3.168 1.00 44.44 H new ATOM 595 N ASN A 40 0.457 8.392 3.932 1.00 42.11 N ATOM 596 CA ASN A 40 1.597 9.287 3.972 1.00 75.34 C ATOM 597 C ASN A 40 1.570 10.190 2.768 1.00 43.43 C ATOM 598 O ASN A 40 0.755 10.025 1.862 1.00 43.22 O ATOM 599 CB ASN A 40 2.940 8.561 3.947 1.00 23.10 C ATOM 600 CG ASN A 40 3.002 7.302 4.803 1.00 55.44 C ATOM 601 OD1 ASN A 40 3.667 6.328 4.446 1.00 53.12 O ATOM 602 ND2 ASN A 40 2.342 7.320 5.953 1.00 55.22 N ATOM 0 H ASN A 40 0.373 7.854 3.069 1.00 42.11 H new ATOM 0 HA ASN A 40 1.513 9.835 4.910 1.00 75.34 H new ATOM 0 HB2 ASN A 40 3.174 8.294 2.916 1.00 23.10 H new ATOM 0 HB3 ASN A 40 3.716 9.250 4.282 1.00 23.10 H new ATOM 0 HD21 ASN A 40 2.375 6.511 6.573 1.00 55.22 H new ATOM 0 HD22 ASN A 40 1.801 8.143 6.218 1.00 55.22 H new ATOM 609 N SER A 41 2.476 11.132 2.763 1.00 41.12 N ATOM 610 CA SER A 41 2.672 11.988 1.635 1.00 22.24 C ATOM 611 C SER A 41 3.592 11.318 0.625 1.00 34.00 C ATOM 612 O SER A 41 4.801 11.560 0.594 1.00 55.14 O ATOM 613 CB SER A 41 3.248 13.310 2.100 1.00 13.12 C ATOM 614 OG SER A 41 2.305 14.023 2.886 1.00 11.31 O ATOM 0 H SER A 41 3.099 11.324 3.548 1.00 41.12 H new ATOM 0 HA SER A 41 1.715 12.176 1.147 1.00 22.24 H new ATOM 0 HB2 SER A 41 4.153 13.133 2.681 1.00 13.12 H new ATOM 0 HB3 SER A 41 3.536 13.910 1.237 1.00 13.12 H new ATOM 0 HG SER A 41 2.698 14.872 3.177 1.00 11.31 H new ATOM 620 N GLY A 42 3.020 10.428 -0.159 1.00 13.24 N ATOM 621 CA GLY A 42 3.774 9.753 -1.191 1.00 44.41 C ATOM 622 C GLY A 42 3.413 8.289 -1.294 1.00 63.24 C ATOM 623 O GLY A 42 3.068 7.804 -2.370 1.00 63.32 O ATOM 0 H GLY A 42 2.038 10.157 -0.101 1.00 13.24 H new ATOM 0 HA2 GLY A 42 3.591 10.239 -2.149 1.00 44.41 H new ATOM 0 HA3 GLY A 42 4.840 9.849 -0.983 1.00 44.41 H new ATOM 627 N TRP A 43 3.489 7.585 -0.172 1.00 15.25 N ATOM 628 CA TRP A 43 3.165 6.166 -0.134 1.00 64.10 C ATOM 629 C TRP A 43 2.033 5.901 0.842 1.00 50.42 C ATOM 630 O TRP A 43 1.840 6.642 1.804 1.00 12.44 O ATOM 631 CB TRP A 43 4.382 5.328 0.273 1.00 12.24 C ATOM 632 CG TRP A 43 5.402 5.153 -0.809 1.00 43.33 C ATOM 633 CD1 TRP A 43 5.364 5.657 -2.076 1.00 12.20 C ATOM 634 CD2 TRP A 43 6.614 4.400 -0.713 1.00 63.01 C ATOM 635 NE1 TRP A 43 6.486 5.276 -2.767 1.00 33.13 N ATOM 636 CE2 TRP A 43 7.266 4.499 -1.953 1.00 75.24 C ATOM 637 CE3 TRP A 43 7.209 3.653 0.306 1.00 44.54 C ATOM 638 CZ2 TRP A 43 8.489 3.884 -2.202 1.00 14.13 C ATOM 639 CZ3 TRP A 43 8.421 3.037 0.058 1.00 23.23 C ATOM 640 CH2 TRP A 43 9.048 3.155 -1.188 1.00 23.03 C ATOM 0 H TRP A 43 3.773 7.976 0.726 1.00 15.25 H new ATOM 0 HA TRP A 43 2.857 5.878 -1.139 1.00 64.10 H new ATOM 0 HB2 TRP A 43 4.860 5.797 1.133 1.00 12.24 H new ATOM 0 HB3 TRP A 43 4.039 4.345 0.595 1.00 12.24 H new ATOM 0 HD1 TRP A 43 4.567 6.267 -2.476 1.00 12.20 H new ATOM 0 HE1 TRP A 43 6.704 5.530 -3.731 1.00 33.13 H new ATOM 0 HE3 TRP A 43 6.731 3.558 1.270 1.00 44.54 H new ATOM 0 HZ2 TRP A 43 8.979 3.979 -3.160 1.00 14.13 H new ATOM 0 HZ3 TRP A 43 8.892 2.456 0.837 1.00 23.23 H new ATOM 0 HH2 TRP A 43 9.994 2.660 -1.353 1.00 23.03 H new ATOM 651 N SER A 44 1.291 4.844 0.589 1.00 31.13 N ATOM 652 CA SER A 44 0.248 4.422 1.495 1.00 61.45 C ATOM 653 C SER A 44 0.662 3.111 2.140 1.00 31.23 C ATOM 654 O SER A 44 0.919 2.119 1.453 1.00 12.14 O ATOM 655 CB SER A 44 -1.071 4.261 0.751 1.00 23.34 C ATOM 656 OG SER A 44 -2.175 4.527 1.595 1.00 35.10 O ATOM 0 H SER A 44 1.393 4.260 -0.241 1.00 31.13 H new ATOM 0 HA SER A 44 0.104 5.178 2.267 1.00 61.45 H new ATOM 0 HB2 SER A 44 -1.093 4.937 -0.104 1.00 23.34 H new ATOM 0 HB3 SER A 44 -1.147 3.247 0.358 1.00 23.34 H new ATOM 0 HG SER A 44 -2.228 5.490 1.770 1.00 35.10 H new ATOM 662 N LYS A 45 0.763 3.130 3.451 1.00 12.53 N ATOM 663 CA LYS A 45 1.222 1.990 4.203 1.00 14.30 C ATOM 664 C LYS A 45 0.095 1.000 4.452 1.00 60.20 C ATOM 665 O LYS A 45 -0.914 1.330 5.078 1.00 32.53 O ATOM 666 CB LYS A 45 1.795 2.485 5.511 1.00 2.22 C ATOM 667 CG LYS A 45 2.321 1.397 6.406 1.00 32.44 C ATOM 668 CD LYS A 45 3.034 2.010 7.578 1.00 33.41 C ATOM 669 CE LYS A 45 4.244 2.803 7.116 1.00 24.05 C ATOM 670 NZ LYS A 45 4.892 3.552 8.224 1.00 21.12 N ATOM 0 H LYS A 45 0.528 3.940 4.024 1.00 12.53 H new ATOM 0 HA LYS A 45 1.987 1.464 3.633 1.00 14.30 H new ATOM 0 HB2 LYS A 45 2.602 3.187 5.299 1.00 2.22 H new ATOM 0 HB3 LYS A 45 1.023 3.039 6.046 1.00 2.22 H new ATOM 0 HG2 LYS A 45 1.500 0.770 6.754 1.00 32.44 H new ATOM 0 HG3 LYS A 45 3.001 0.752 5.850 1.00 32.44 H new ATOM 0 HD2 LYS A 45 2.352 2.662 8.124 1.00 33.41 H new ATOM 0 HD3 LYS A 45 3.348 1.227 8.269 1.00 33.41 H new ATOM 0 HE2 LYS A 45 4.970 2.124 6.668 1.00 24.05 H new ATOM 0 HE3 LYS A 45 3.940 3.503 6.338 1.00 24.05 H new ATOM 0 HZ1 LYS A 45 5.712 4.076 7.856 1.00 21.12 H new ATOM 0 HZ2 LYS A 45 4.210 4.221 8.636 1.00 21.12 H new ATOM 0 HZ3 LYS A 45 5.208 2.884 8.956 1.00 21.12 H new ATOM 684 N ILE A 46 0.291 -0.219 3.980 1.00 13.12 N ATOM 685 CA ILE A 46 -0.748 -1.233 4.035 1.00 63.31 C ATOM 686 C ILE A 46 -0.169 -2.613 4.337 1.00 75.22 C ATOM 687 O ILE A 46 0.994 -2.896 4.050 1.00 52.13 O ATOM 688 CB ILE A 46 -1.549 -1.311 2.711 1.00 21.50 C ATOM 689 CG1 ILE A 46 -0.608 -1.543 1.526 1.00 42.11 C ATOM 690 CG2 ILE A 46 -2.379 -0.048 2.505 1.00 22.14 C ATOM 691 CD1 ILE A 46 -1.325 -1.741 0.207 1.00 24.33 C ATOM 0 H ILE A 46 1.163 -0.531 3.553 1.00 13.12 H new ATOM 0 HA ILE A 46 -1.418 -0.935 4.841 1.00 63.31 H new ATOM 0 HB ILE A 46 -2.233 -2.157 2.775 1.00 21.50 H new ATOM 0 HG12 ILE A 46 0.067 -0.692 1.438 1.00 42.11 H new ATOM 0 HG13 ILE A 46 0.008 -2.419 1.729 1.00 42.11 H new ATOM 0 HG21 ILE A 46 -2.933 -0.125 1.569 1.00 22.14 H new ATOM 0 HG22 ILE A 46 -3.079 0.066 3.333 1.00 22.14 H new ATOM 0 HG23 ILE A 46 -1.719 0.819 2.466 1.00 22.14 H new ATOM 0 HD11 ILE A 46 -0.593 -1.900 -0.585 1.00 24.33 H new ATOM 0 HD12 ILE A 46 -1.979 -2.610 0.275 1.00 24.33 H new ATOM 0 HD13 ILE A 46 -1.920 -0.856 -0.020 1.00 24.33 H new ATOM 703 N ASN A 47 -0.988 -3.456 4.940 1.00 30.21 N ATOM 704 CA ASN A 47 -0.647 -4.849 5.145 1.00 73.34 C ATOM 705 C ASN A 47 -1.636 -5.705 4.376 1.00 52.12 C ATOM 706 O ASN A 47 -2.829 -5.726 4.689 1.00 33.52 O ATOM 707 CB ASN A 47 -0.672 -5.212 6.633 1.00 51.41 C ATOM 708 CG ASN A 47 0.506 -4.632 7.394 1.00 64.24 C ATOM 709 OD1 ASN A 47 1.570 -5.250 7.471 1.00 60.34 O ATOM 710 ND2 ASN A 47 0.327 -3.451 7.971 1.00 5.25 N ATOM 0 H ASN A 47 -1.906 -3.193 5.300 1.00 30.21 H new ATOM 0 HA ASN A 47 0.365 -5.029 4.783 1.00 73.34 H new ATOM 0 HB2 ASN A 47 -1.600 -4.850 7.076 1.00 51.41 H new ATOM 0 HB3 ASN A 47 -0.670 -6.297 6.739 1.00 51.41 H new ATOM 0 HD21 ASN A 47 1.085 -3.023 8.502 1.00 5.25 H new ATOM 0 HD22 ASN A 47 -0.569 -2.971 7.884 1.00 5.25 H new ATOM 717 N TYR A 48 -1.150 -6.403 3.368 1.00 63.13 N ATOM 718 CA TYR A 48 -2.030 -7.102 2.448 1.00 4.44 C ATOM 719 C TYR A 48 -1.757 -8.598 2.470 1.00 52.40 C ATOM 720 O TYR A 48 -0.674 -9.039 2.098 1.00 23.43 O ATOM 721 CB TYR A 48 -1.840 -6.552 1.033 1.00 43.15 C ATOM 722 CG TYR A 48 -2.968 -6.896 0.083 1.00 13.31 C ATOM 723 CD1 TYR A 48 -4.120 -6.124 0.039 1.00 63.34 C ATOM 724 CD2 TYR A 48 -2.878 -7.985 -0.775 1.00 4.44 C ATOM 725 CE1 TYR A 48 -5.152 -6.424 -0.830 1.00 43.11 C ATOM 726 CE2 TYR A 48 -3.905 -8.293 -1.647 1.00 5.44 C ATOM 727 CZ TYR A 48 -5.040 -7.508 -1.670 1.00 41.31 C ATOM 728 OH TYR A 48 -6.063 -7.801 -2.544 1.00 14.24 O ATOM 0 H TYR A 48 -0.155 -6.502 3.165 1.00 63.13 H new ATOM 0 HA TYR A 48 -3.061 -6.940 2.762 1.00 4.44 H new ATOM 0 HB2 TYR A 48 -1.741 -5.468 1.086 1.00 43.15 H new ATOM 0 HB3 TYR A 48 -0.905 -6.938 0.626 1.00 43.15 H new ATOM 0 HD1 TYR A 48 -4.212 -5.272 0.697 1.00 63.34 H new ATOM 0 HD2 TYR A 48 -1.991 -8.601 -0.760 1.00 4.44 H new ATOM 0 HE1 TYR A 48 -6.041 -5.811 -0.850 1.00 43.11 H new ATOM 0 HE2 TYR A 48 -3.820 -9.144 -2.307 1.00 5.44 H new ATOM 0 HH TYR A 48 -5.828 -8.595 -3.068 1.00 14.24 H new ATOM 738 N ASN A 49 -2.736 -9.364 2.937 1.00 63.01 N ATOM 739 CA ASN A 49 -2.656 -10.827 2.939 1.00 35.42 C ATOM 740 C ASN A 49 -1.440 -11.309 3.736 1.00 52.44 C ATOM 741 O ASN A 49 -0.807 -12.309 3.400 1.00 5.21 O ATOM 742 CB ASN A 49 -2.598 -11.358 1.496 1.00 11.13 C ATOM 743 CG ASN A 49 -3.069 -12.801 1.379 1.00 10.24 C ATOM 744 OD1 ASN A 49 -4.263 -13.059 1.202 1.00 14.31 O ATOM 745 ND2 ASN A 49 -2.148 -13.749 1.461 1.00 14.01 N ATOM 0 H ASN A 49 -3.605 -8.995 3.324 1.00 63.01 H new ATOM 0 HA ASN A 49 -3.552 -11.218 3.422 1.00 35.42 H new ATOM 0 HB2 ASN A 49 -3.214 -10.726 0.856 1.00 11.13 H new ATOM 0 HB3 ASN A 49 -1.575 -11.283 1.127 1.00 11.13 H new ATOM 0 HD21 ASN A 49 -2.416 -14.729 1.377 1.00 14.01 H new ATOM 0 HD22 ASN A 49 -1.170 -13.499 1.608 1.00 14.01 H new ATOM 752 N GLY A 50 -1.109 -10.582 4.796 1.00 13.43 N ATOM 753 CA GLY A 50 -0.040 -11.008 5.679 1.00 71.22 C ATOM 754 C GLY A 50 1.313 -10.412 5.331 1.00 4.14 C ATOM 755 O GLY A 50 2.254 -10.508 6.122 1.00 70.12 O ATOM 0 H GLY A 50 -1.561 -9.706 5.060 1.00 13.43 H new ATOM 0 HA2 GLY A 50 -0.295 -10.734 6.703 1.00 71.22 H new ATOM 0 HA3 GLY A 50 0.033 -12.095 5.649 1.00 71.22 H new ATOM 759 N GLN A 51 1.432 -9.798 4.161 1.00 15.03 N ATOM 760 CA GLN A 51 2.695 -9.183 3.777 1.00 73.20 C ATOM 761 C GLN A 51 2.629 -7.672 3.917 1.00 53.13 C ATOM 762 O GLN A 51 1.574 -7.059 3.737 1.00 34.25 O ATOM 763 CB GLN A 51 3.107 -9.563 2.348 1.00 11.51 C ATOM 764 CG GLN A 51 2.117 -9.140 1.274 1.00 65.14 C ATOM 765 CD GLN A 51 2.641 -9.357 -0.132 1.00 14.25 C ATOM 766 OE1 GLN A 51 3.458 -10.242 -0.379 1.00 61.52 O ATOM 767 NE2 GLN A 51 2.171 -8.550 -1.068 1.00 71.15 N ATOM 0 H GLN A 51 0.684 -9.713 3.473 1.00 15.03 H new ATOM 0 HA GLN A 51 3.455 -9.567 4.457 1.00 73.20 H new ATOM 0 HB2 GLN A 51 4.075 -9.112 2.130 1.00 11.51 H new ATOM 0 HB3 GLN A 51 3.240 -10.644 2.297 1.00 11.51 H new ATOM 0 HG2 GLN A 51 1.190 -9.700 1.401 1.00 65.14 H new ATOM 0 HG3 GLN A 51 1.874 -8.086 1.407 1.00 65.14 H new ATOM 0 HE21 GLN A 51 1.494 -7.827 -0.825 1.00 71.15 H new ATOM 0 HE22 GLN A 51 2.486 -8.650 -2.033 1.00 71.15 H new ATOM 776 N THR A 52 3.764 -7.081 4.243 1.00 11.53 N ATOM 777 CA THR A 52 3.865 -5.642 4.378 1.00 24.01 C ATOM 778 C THR A 52 4.139 -5.015 3.018 1.00 14.45 C ATOM 779 O THR A 52 5.175 -5.276 2.403 1.00 62.02 O ATOM 780 CB THR A 52 4.990 -5.254 5.353 1.00 42.40 C ATOM 781 OG1 THR A 52 4.798 -5.918 6.609 1.00 34.21 O ATOM 782 CG2 THR A 52 5.024 -3.750 5.570 1.00 2.24 C ATOM 0 H THR A 52 4.635 -7.582 4.420 1.00 11.53 H new ATOM 0 HA THR A 52 2.919 -5.272 4.774 1.00 24.01 H new ATOM 0 HB THR A 52 5.941 -5.563 4.919 1.00 42.40 H new ATOM 0 HG1 THR A 52 5.518 -5.668 7.225 1.00 34.21 H new ATOM 0 HG21 THR A 52 5.828 -3.500 6.263 1.00 2.24 H new ATOM 0 HG22 THR A 52 5.197 -3.249 4.618 1.00 2.24 H new ATOM 0 HG23 THR A 52 4.072 -3.421 5.985 1.00 2.24 H new ATOM 790 N GLY A 53 3.216 -4.193 2.548 1.00 21.21 N ATOM 791 CA GLY A 53 3.367 -3.605 1.240 1.00 75.33 C ATOM 792 C GLY A 53 3.229 -2.102 1.263 1.00 71.14 C ATOM 793 O GLY A 53 2.534 -1.546 2.112 1.00 35.23 O ATOM 0 H GLY A 53 2.369 -3.924 3.048 1.00 21.21 H new ATOM 0 HA2 GLY A 53 4.344 -3.871 0.836 1.00 75.33 H new ATOM 0 HA3 GLY A 53 2.619 -4.025 0.568 1.00 75.33 H new ATOM 797 N TYR A 54 3.913 -1.441 0.349 1.00 63.54 N ATOM 798 CA TYR A 54 3.776 -0.009 0.187 1.00 5.10 C ATOM 799 C TYR A 54 3.475 0.299 -1.268 1.00 71.51 C ATOM 800 O TYR A 54 4.025 -0.336 -2.170 1.00 52.21 O ATOM 801 CB TYR A 54 5.051 0.721 0.625 1.00 44.14 C ATOM 802 CG TYR A 54 5.535 0.321 1.999 1.00 71.14 C ATOM 803 CD1 TYR A 54 4.904 0.787 3.145 1.00 61.43 C ATOM 804 CD2 TYR A 54 6.621 -0.529 2.148 1.00 51.32 C ATOM 805 CE1 TYR A 54 5.343 0.413 4.403 1.00 52.32 C ATOM 806 CE2 TYR A 54 7.066 -0.904 3.398 1.00 52.43 C ATOM 807 CZ TYR A 54 6.426 -0.433 4.523 1.00 12.42 C ATOM 808 OH TYR A 54 6.871 -0.814 5.772 1.00 72.14 O ATOM 0 H TYR A 54 4.572 -1.877 -0.295 1.00 63.54 H new ATOM 0 HA TYR A 54 2.958 0.339 0.818 1.00 5.10 H new ATOM 0 HB2 TYR A 54 5.840 0.524 -0.101 1.00 44.14 H new ATOM 0 HB3 TYR A 54 4.867 1.795 0.612 1.00 44.14 H new ATOM 0 HD1 TYR A 54 4.058 1.452 3.053 1.00 61.43 H new ATOM 0 HD2 TYR A 54 7.127 -0.903 1.270 1.00 51.32 H new ATOM 0 HE1 TYR A 54 4.841 0.781 5.285 1.00 52.32 H new ATOM 0 HE2 TYR A 54 7.914 -1.565 3.495 1.00 52.43 H new ATOM 0 HH TYR A 54 7.641 -1.412 5.676 1.00 72.14 H new ATOM 818 N ILE A 55 2.588 1.247 -1.495 1.00 22.41 N ATOM 819 CA ILE A 55 2.259 1.670 -2.841 1.00 4.22 C ATOM 820 C ILE A 55 2.202 3.185 -2.908 1.00 54.04 C ATOM 821 O ILE A 55 2.071 3.849 -1.880 1.00 31.25 O ATOM 822 CB ILE A 55 0.929 1.050 -3.340 1.00 11.30 C ATOM 823 CG1 ILE A 55 -0.197 1.213 -2.305 1.00 52.03 C ATOM 824 CG2 ILE A 55 1.130 -0.420 -3.678 1.00 55.42 C ATOM 825 CD1 ILE A 55 -0.903 2.552 -2.361 1.00 54.34 C ATOM 0 H ILE A 55 2.080 1.741 -0.761 1.00 22.41 H new ATOM 0 HA ILE A 55 3.046 1.309 -3.504 1.00 4.22 H new ATOM 0 HB ILE A 55 0.628 1.586 -4.240 1.00 11.30 H new ATOM 0 HG12 ILE A 55 -0.931 0.421 -2.456 1.00 52.03 H new ATOM 0 HG13 ILE A 55 0.219 1.076 -1.307 1.00 52.03 H new ATOM 0 HG21 ILE A 55 0.189 -0.845 -4.027 1.00 55.42 H new ATOM 0 HG22 ILE A 55 1.883 -0.514 -4.460 1.00 55.42 H new ATOM 0 HG23 ILE A 55 1.462 -0.956 -2.789 1.00 55.42 H new ATOM 0 HD11 ILE A 55 -1.682 2.585 -1.599 1.00 54.34 H new ATOM 0 HD12 ILE A 55 -0.184 3.350 -2.179 1.00 54.34 H new ATOM 0 HD13 ILE A 55 -1.352 2.686 -3.345 1.00 54.34 H new ATOM 837 N GLY A 56 2.317 3.726 -4.106 1.00 24.31 N ATOM 838 CA GLY A 56 2.306 5.160 -4.261 1.00 61.21 C ATOM 839 C GLY A 56 0.908 5.728 -4.204 1.00 62.25 C ATOM 840 O GLY A 56 0.042 5.323 -4.976 1.00 52.12 O ATOM 0 H GLY A 56 2.418 3.199 -4.973 1.00 24.31 H new ATOM 0 HA2 GLY A 56 2.913 5.613 -3.477 1.00 61.21 H new ATOM 0 HA3 GLY A 56 2.766 5.425 -5.213 1.00 61.21 H new ATOM 844 N THR A 57 0.690 6.675 -3.296 1.00 61.30 N ATOM 845 CA THR A 57 -0.600 7.346 -3.163 1.00 21.12 C ATOM 846 C THR A 57 -0.946 8.088 -4.457 1.00 52.33 C ATOM 847 O THR A 57 -2.105 8.411 -4.724 1.00 62.10 O ATOM 848 CB THR A 57 -0.582 8.337 -1.980 1.00 42.35 C ATOM 849 OG1 THR A 57 -0.090 7.679 -0.806 1.00 43.32 O ATOM 850 CG2 THR A 57 -1.973 8.891 -1.703 1.00 5.32 C ATOM 0 H THR A 57 1.397 6.997 -2.636 1.00 61.30 H new ATOM 0 HA THR A 57 -1.360 6.589 -2.970 1.00 21.12 H new ATOM 0 HB THR A 57 0.073 9.167 -2.244 1.00 42.35 H new ATOM 0 HG1 THR A 57 -0.816 7.587 -0.154 1.00 43.32 H new ATOM 0 HG21 THR A 57 -1.928 9.586 -0.864 1.00 5.32 H new ATOM 0 HG22 THR A 57 -2.340 9.413 -2.587 1.00 5.32 H new ATOM 0 HG23 THR A 57 -2.649 8.072 -1.459 1.00 5.32 H new ATOM 858 N ARG A 58 0.080 8.326 -5.270 1.00 72.11 N ATOM 859 CA ARG A 58 -0.082 8.967 -6.560 1.00 61.31 C ATOM 860 C ARG A 58 -0.814 8.060 -7.546 1.00 42.33 C ATOM 861 O ARG A 58 -1.167 8.491 -8.637 1.00 51.11 O ATOM 862 CB ARG A 58 1.282 9.364 -7.115 1.00 71.33 C ATOM 863 CG ARG A 58 1.850 10.622 -6.482 1.00 64.15 C ATOM 864 CD ARG A 58 3.221 10.961 -7.044 1.00 62.50 C ATOM 865 NE ARG A 58 4.290 10.683 -6.086 1.00 42.23 N ATOM 866 CZ ARG A 58 5.358 9.936 -6.349 1.00 72.34 C ATOM 867 NH1 ARG A 58 5.470 9.308 -7.515 1.00 14.23 N ATOM 868 NH2 ARG A 58 6.313 9.805 -5.434 1.00 4.21 N ATOM 0 H ARG A 58 1.044 8.078 -5.048 1.00 72.11 H new ATOM 0 HA ARG A 58 -0.689 9.862 -6.422 1.00 61.31 H new ATOM 0 HB2 ARG A 58 1.981 8.542 -6.962 1.00 71.33 H new ATOM 0 HB3 ARG A 58 1.198 9.514 -8.191 1.00 71.33 H new ATOM 0 HG2 ARG A 58 1.169 11.456 -6.654 1.00 64.15 H new ATOM 0 HG3 ARG A 58 1.922 10.486 -5.403 1.00 64.15 H new ATOM 0 HD2 ARG A 58 3.392 10.386 -7.954 1.00 62.50 H new ATOM 0 HD3 ARG A 58 3.248 12.015 -7.322 1.00 62.50 H new ATOM 0 HE ARG A 58 4.211 11.089 -5.154 1.00 42.23 H new ATOM 0 HH11 ARG A 58 4.734 9.397 -8.215 1.00 14.23 H new ATOM 0 HH12 ARG A 58 6.292 8.737 -7.710 1.00 14.23 H new ATOM 0 HH21 ARG A 58 6.225 10.277 -4.534 1.00 4.21 H new ATOM 0 HH22 ARG A 58 7.134 9.233 -5.632 1.00 4.21 H new ATOM 882 N TYR A 59 -1.020 6.802 -7.173 1.00 14.13 N ATOM 883 CA TYR A 59 -1.860 5.913 -7.948 1.00 22.31 C ATOM 884 C TYR A 59 -2.849 5.204 -7.039 1.00 10.54 C ATOM 885 O TYR A 59 -2.464 4.389 -6.205 1.00 11.21 O ATOM 886 CB TYR A 59 -1.014 4.872 -8.671 1.00 61.41 C ATOM 887 CG TYR A 59 -0.629 5.248 -10.077 1.00 71.43 C ATOM 888 CD1 TYR A 59 0.457 6.069 -10.319 1.00 64.05 C ATOM 889 CD2 TYR A 59 -1.345 4.760 -11.162 1.00 14.31 C ATOM 890 CE1 TYR A 59 0.822 6.401 -11.607 1.00 34.41 C ATOM 891 CE2 TYR A 59 -0.984 5.080 -12.453 1.00 22.22 C ATOM 892 CZ TYR A 59 0.099 5.902 -12.670 1.00 34.24 C ATOM 893 OH TYR A 59 0.471 6.212 -13.955 1.00 54.54 O ATOM 0 H TYR A 59 -0.614 6.380 -6.338 1.00 14.13 H new ATOM 0 HA TYR A 59 -2.400 6.510 -8.683 1.00 22.31 H new ATOM 0 HB2 TYR A 59 -0.106 4.696 -8.094 1.00 61.41 H new ATOM 0 HB3 TYR A 59 -1.563 3.931 -8.697 1.00 61.41 H new ATOM 0 HD1 TYR A 59 1.028 6.456 -9.488 1.00 64.05 H new ATOM 0 HD2 TYR A 59 -2.198 4.120 -10.992 1.00 14.31 H new ATOM 0 HE1 TYR A 59 1.669 7.048 -11.782 1.00 34.41 H new ATOM 0 HE2 TYR A 59 -1.546 4.689 -13.288 1.00 22.22 H new ATOM 0 HH TYR A 59 -0.142 5.780 -14.586 1.00 54.54 H new ATOM 903 N LEU A 60 -4.120 5.490 -7.240 1.00 42.43 N ATOM 904 CA LEU A 60 -5.195 4.905 -6.446 1.00 72.00 C ATOM 905 C LEU A 60 -6.498 4.971 -7.220 1.00 14.41 C ATOM 906 O LEU A 60 -6.551 5.556 -8.300 1.00 33.14 O ATOM 907 CB LEU A 60 -5.368 5.644 -5.110 1.00 40.20 C ATOM 908 CG LEU A 60 -4.286 5.388 -4.056 1.00 31.01 C ATOM 909 CD1 LEU A 60 -4.503 6.280 -2.844 1.00 53.41 C ATOM 910 CD2 LEU A 60 -4.291 3.924 -3.639 1.00 44.12 C ATOM 0 H LEU A 60 -4.443 6.136 -7.960 1.00 42.43 H new ATOM 0 HA LEU A 60 -4.932 3.868 -6.239 1.00 72.00 H new ATOM 0 HB2 LEU A 60 -5.405 6.715 -5.312 1.00 40.20 H new ATOM 0 HB3 LEU A 60 -6.333 5.366 -4.686 1.00 40.20 H new ATOM 0 HG LEU A 60 -3.316 5.625 -4.492 1.00 31.01 H new ATOM 0 HD11 LEU A 60 -3.726 6.085 -2.105 1.00 53.41 H new ATOM 0 HD12 LEU A 60 -4.460 7.325 -3.149 1.00 53.41 H new ATOM 0 HD13 LEU A 60 -5.479 6.070 -2.408 1.00 53.41 H new ATOM 0 HD21 LEU A 60 -3.517 3.756 -2.890 1.00 44.12 H new ATOM 0 HD22 LEU A 60 -5.264 3.669 -3.219 1.00 44.12 H new ATOM 0 HD23 LEU A 60 -4.095 3.297 -4.509 1.00 44.12 H new ATOM 922 N SER A 61 -7.539 4.369 -6.673 1.00 51.32 N ATOM 923 CA SER A 61 -8.863 4.512 -7.238 1.00 65.41 C ATOM 924 C SER A 61 -9.693 5.391 -6.310 1.00 24.41 C ATOM 925 O SER A 61 -9.901 5.055 -5.144 1.00 51.10 O ATOM 926 CB SER A 61 -9.517 3.137 -7.417 1.00 23.12 C ATOM 927 OG SER A 61 -10.717 3.222 -8.173 1.00 62.02 O ATOM 0 H SER A 61 -7.491 3.780 -5.842 1.00 51.32 H new ATOM 0 HA SER A 61 -8.801 4.979 -8.221 1.00 65.41 H new ATOM 0 HB2 SER A 61 -8.819 2.464 -7.915 1.00 23.12 H new ATOM 0 HB3 SER A 61 -9.732 2.706 -6.439 1.00 23.12 H new ATOM 0 HG SER A 61 -11.107 2.328 -8.270 1.00 62.02 H new ATOM 933 N LYS A 62 -10.152 6.522 -6.818 1.00 13.41 N ATOM 934 CA LYS A 62 -10.904 7.465 -6.007 1.00 21.11 C ATOM 935 C LYS A 62 -12.296 7.640 -6.593 1.00 52.43 C ATOM 936 O LYS A 62 -12.563 8.590 -7.333 1.00 52.02 O ATOM 937 CB LYS A 62 -10.170 8.805 -5.940 1.00 4.42 C ATOM 938 CG LYS A 62 -10.331 9.541 -4.619 1.00 30.41 C ATOM 939 CD LYS A 62 -11.773 9.942 -4.354 1.00 13.34 C ATOM 940 CE LYS A 62 -11.913 10.671 -3.029 1.00 52.44 C ATOM 941 NZ LYS A 62 -11.494 9.822 -1.883 1.00 33.21 N ATOM 0 H LYS A 62 -10.017 6.810 -7.787 1.00 13.41 H new ATOM 0 HA LYS A 62 -10.996 7.079 -4.992 1.00 21.11 H new ATOM 0 HB2 LYS A 62 -9.109 8.634 -6.120 1.00 4.42 H new ATOM 0 HB3 LYS A 62 -10.531 9.445 -6.745 1.00 4.42 H new ATOM 0 HG2 LYS A 62 -9.978 8.906 -3.807 1.00 30.41 H new ATOM 0 HG3 LYS A 62 -9.703 10.432 -4.623 1.00 30.41 H new ATOM 0 HD2 LYS A 62 -12.128 10.582 -5.162 1.00 13.34 H new ATOM 0 HD3 LYS A 62 -12.404 9.053 -4.350 1.00 13.34 H new ATOM 0 HE2 LYS A 62 -11.310 11.579 -3.048 1.00 52.44 H new ATOM 0 HE3 LYS A 62 -12.949 10.980 -2.892 1.00 52.44 H new ATOM 0 HZ1 LYS A 62 -11.835 10.244 -0.996 1.00 33.21 H new ATOM 0 HZ2 LYS A 62 -11.897 8.869 -1.991 1.00 33.21 H new ATOM 0 HZ3 LYS A 62 -10.456 9.758 -1.860 1.00 33.21 H new ATOM 955 N LEU A 63 -13.159 6.688 -6.298 1.00 35.43 N ATOM 956 CA LEU A 63 -14.491 6.667 -6.875 1.00 24.32 C ATOM 957 C LEU A 63 -15.529 6.291 -5.820 1.00 31.44 C ATOM 958 O LEU A 63 -16.536 6.981 -5.662 1.00 20.43 O ATOM 959 CB LEU A 63 -14.522 5.666 -8.044 1.00 23.41 C ATOM 960 CG LEU A 63 -15.558 5.936 -9.149 1.00 63.01 C ATOM 961 CD1 LEU A 63 -16.978 5.746 -8.641 1.00 65.11 C ATOM 962 CD2 LEU A 63 -15.378 7.337 -9.713 1.00 35.55 C ATOM 0 H LEU A 63 -12.962 5.916 -5.661 1.00 35.43 H new ATOM 0 HA LEU A 63 -14.737 7.662 -7.246 1.00 24.32 H new ATOM 0 HB2 LEU A 63 -13.533 5.644 -8.501 1.00 23.41 H new ATOM 0 HB3 LEU A 63 -14.707 4.672 -7.638 1.00 23.41 H new ATOM 0 HG LEU A 63 -15.392 5.211 -9.945 1.00 63.01 H new ATOM 0 HD11 LEU A 63 -17.683 5.945 -9.448 1.00 65.11 H new ATOM 0 HD12 LEU A 63 -17.106 4.721 -8.292 1.00 65.11 H new ATOM 0 HD13 LEU A 63 -17.165 6.435 -7.818 1.00 65.11 H new ATOM 0 HD21 LEU A 63 -16.118 7.513 -10.494 1.00 35.55 H new ATOM 0 HD22 LEU A 63 -15.509 8.069 -8.917 1.00 35.55 H new ATOM 0 HD23 LEU A 63 -14.377 7.434 -10.134 1.00 35.55 H new ATOM 974 N GLU A 64 -15.243 5.215 -5.084 1.00 30.15 N ATOM 975 CA GLU A 64 -16.233 4.538 -4.245 1.00 10.13 C ATOM 976 C GLU A 64 -17.443 4.172 -5.095 1.00 43.42 C ATOM 977 O GLU A 64 -18.467 4.857 -5.081 1.00 72.13 O ATOM 978 CB GLU A 64 -16.667 5.378 -3.034 1.00 2.20 C ATOM 979 CG GLU A 64 -17.459 4.568 -2.014 1.00 21.40 C ATOM 980 CD GLU A 64 -18.083 5.411 -0.922 1.00 14.43 C ATOM 981 OE1 GLU A 64 -17.338 5.970 -0.090 1.00 15.24 O ATOM 982 OE2 GLU A 64 -19.331 5.497 -0.872 1.00 14.31 O ATOM 0 H GLU A 64 -14.317 4.788 -5.053 1.00 30.15 H new ATOM 0 HA GLU A 64 -15.765 3.639 -3.844 1.00 10.13 H new ATOM 0 HB2 GLU A 64 -15.784 5.798 -2.553 1.00 2.20 H new ATOM 0 HB3 GLU A 64 -17.273 6.217 -3.376 1.00 2.20 H new ATOM 0 HG2 GLU A 64 -18.245 4.018 -2.531 1.00 21.40 H new ATOM 0 HG3 GLU A 64 -16.800 3.829 -1.559 1.00 21.40 H new ATOM 989 N HIS A 65 -17.299 3.107 -5.869 1.00 24.24 N ATOM 990 CA HIS A 65 -18.346 2.697 -6.796 1.00 14.12 C ATOM 991 C HIS A 65 -19.314 1.732 -6.127 1.00 30.55 C ATOM 992 O HIS A 65 -18.929 0.988 -5.225 1.00 13.30 O ATOM 993 CB HIS A 65 -17.751 2.089 -8.083 1.00 74.12 C ATOM 994 CG HIS A 65 -16.745 0.991 -7.872 1.00 13.34 C ATOM 995 ND1 HIS A 65 -17.026 -0.340 -8.067 1.00 60.24 N ATOM 996 CD2 HIS A 65 -15.435 1.045 -7.531 1.00 23.10 C ATOM 997 CE1 HIS A 65 -15.939 -1.057 -7.855 1.00 55.34 C ATOM 998 NE2 HIS A 65 -14.955 -0.241 -7.530 1.00 61.33 N ATOM 0 H HIS A 65 -16.471 2.512 -5.875 1.00 24.24 H new ATOM 0 HA HIS A 65 -18.904 3.588 -7.084 1.00 14.12 H new ATOM 0 HB2 HIS A 65 -18.567 1.699 -8.691 1.00 74.12 H new ATOM 0 HB3 HIS A 65 -17.279 2.886 -8.657 1.00 74.12 H new ATOM 0 HD2 HIS A 65 -14.871 1.937 -7.302 1.00 23.10 H new ATOM 0 HE1 HIS A 65 -15.867 -2.132 -7.934 1.00 55.34 H new ATOM 0 HE2 HIS A 65 -13.998 -0.519 -7.314 1.00 61.33 H new ATOM 1007 N HIS A 66 -20.561 1.756 -6.597 1.00 3.53 N ATOM 1008 CA HIS A 66 -21.662 1.010 -5.988 1.00 62.44 C ATOM 1009 C HIS A 66 -22.017 1.559 -4.611 1.00 73.42 C ATOM 1010 O HIS A 66 -21.362 1.259 -3.612 1.00 41.51 O ATOM 1011 CB HIS A 66 -21.363 -0.492 -5.897 1.00 24.52 C ATOM 1012 CG HIS A 66 -21.925 -1.287 -7.033 1.00 75.35 C ATOM 1013 ND1 HIS A 66 -23.014 -2.116 -6.896 1.00 32.41 N ATOM 1014 CD2 HIS A 66 -21.538 -1.392 -8.323 1.00 13.24 C ATOM 1015 CE1 HIS A 66 -23.269 -2.699 -8.050 1.00 23.33 C ATOM 1016 NE2 HIS A 66 -22.388 -2.280 -8.938 1.00 71.42 N ATOM 0 H HIS A 66 -20.837 2.297 -7.416 1.00 3.53 H new ATOM 0 HA HIS A 66 -22.522 1.141 -6.645 1.00 62.44 H new ATOM 0 HB2 HIS A 66 -20.283 -0.637 -5.863 1.00 24.52 H new ATOM 0 HB3 HIS A 66 -21.766 -0.878 -4.961 1.00 24.52 H new ATOM 0 HD1 HIS A 66 -23.542 -2.258 -6.035 1.00 32.41 H new ATOM 0 HD2 HIS A 66 -20.712 -0.873 -8.786 1.00 13.24 H new ATOM 0 HE1 HIS A 66 -24.067 -3.403 -8.238 1.00 23.33 H new ATOM 1025 N HIS A 67 -23.052 2.381 -4.573 1.00 71.11 N ATOM 1026 CA HIS A 67 -23.594 2.850 -3.310 1.00 31.14 C ATOM 1027 C HIS A 67 -24.539 1.787 -2.768 1.00 41.11 C ATOM 1028 O HIS A 67 -24.598 1.539 -1.564 1.00 11.24 O ATOM 1029 CB HIS A 67 -24.320 4.182 -3.497 1.00 63.10 C ATOM 1030 CG HIS A 67 -24.653 4.874 -2.208 1.00 31.30 C ATOM 1031 ND1 HIS A 67 -25.904 4.841 -1.640 1.00 72.04 N ATOM 1032 CD2 HIS A 67 -23.893 5.635 -1.387 1.00 21.34 C ATOM 1033 CE1 HIS A 67 -25.906 5.552 -0.530 1.00 21.32 C ATOM 1034 NE2 HIS A 67 -24.697 6.047 -0.350 1.00 3.40 N ATOM 0 H HIS A 67 -23.532 2.736 -5.400 1.00 71.11 H new ATOM 0 HA HIS A 67 -22.786 3.018 -2.598 1.00 31.14 H new ATOM 0 HB2 HIS A 67 -23.700 4.842 -4.103 1.00 63.10 H new ATOM 0 HB3 HIS A 67 -25.241 4.009 -4.054 1.00 63.10 H new ATOM 0 HD2 HIS A 67 -22.848 5.875 -1.521 1.00 21.34 H new ATOM 0 HE1 HIS A 67 -26.754 5.703 0.122 1.00 21.32 H new ATOM 0 HE2 HIS A 67 -24.406 6.638 0.429 1.00 3.40 H new ATOM 1043 N HIS A 68 -25.272 1.161 -3.680 1.00 20.45 N ATOM 1044 CA HIS A 68 -26.061 -0.020 -3.365 1.00 3.21 C ATOM 1045 C HIS A 68 -25.222 -1.270 -3.585 1.00 22.14 C ATOM 1046 O HIS A 68 -24.428 -1.332 -4.524 1.00 23.12 O ATOM 1047 CB HIS A 68 -27.314 -0.101 -4.247 1.00 34.33 C ATOM 1048 CG HIS A 68 -28.549 0.495 -3.639 1.00 32.42 C ATOM 1049 ND1 HIS A 68 -29.415 1.303 -4.340 1.00 14.40 N ATOM 1050 CD2 HIS A 68 -29.086 0.359 -2.404 1.00 23.44 C ATOM 1051 CE1 HIS A 68 -30.431 1.637 -3.567 1.00 32.35 C ATOM 1052 NE2 HIS A 68 -30.260 1.075 -2.383 1.00 71.43 N ATOM 0 H HIS A 68 -25.335 1.457 -4.654 1.00 20.45 H new ATOM 0 HA HIS A 68 -26.370 0.050 -2.322 1.00 3.21 H new ATOM 0 HB2 HIS A 68 -27.110 0.404 -5.191 1.00 34.33 H new ATOM 0 HB3 HIS A 68 -27.510 -1.147 -4.481 1.00 34.33 H new ATOM 0 HD2 HIS A 68 -28.669 -0.208 -1.585 1.00 23.44 H new ATOM 0 HE1 HIS A 68 -31.262 2.264 -3.854 1.00 32.35 H new ATOM 0 HE2 HIS A 68 -30.893 1.158 -1.587 1.00 71.43 H new ATOM 1061 N HIS A 69 -25.394 -2.262 -2.730 1.00 51.33 N ATOM 1062 CA HIS A 69 -24.696 -3.528 -2.898 1.00 13.04 C ATOM 1063 C HIS A 69 -25.720 -4.641 -3.101 1.00 64.35 C ATOM 1064 O HIS A 69 -25.981 -5.446 -2.208 1.00 23.40 O ATOM 1065 CB HIS A 69 -23.738 -3.811 -1.714 1.00 63.55 C ATOM 1066 CG HIS A 69 -24.396 -4.018 -0.374 1.00 72.30 C ATOM 1067 ND1 HIS A 69 -25.097 -3.039 0.298 1.00 1.31 N ATOM 1068 CD2 HIS A 69 -24.452 -5.118 0.413 1.00 31.21 C ATOM 1069 CE1 HIS A 69 -25.552 -3.530 1.435 1.00 33.20 C ATOM 1070 NE2 HIS A 69 -25.176 -4.789 1.529 1.00 2.41 N ATOM 0 H HIS A 69 -26.007 -2.218 -1.916 1.00 51.33 H new ATOM 0 HA HIS A 69 -24.064 -3.478 -3.785 1.00 13.04 H new ATOM 0 HB2 HIS A 69 -23.151 -4.698 -1.950 1.00 63.55 H new ATOM 0 HB3 HIS A 69 -23.039 -2.979 -1.630 1.00 63.55 H new ATOM 0 HD2 HIS A 69 -24.007 -6.079 0.200 1.00 31.21 H new ATOM 0 HE1 HIS A 69 -26.135 -2.990 2.166 1.00 33.20 H new ATOM 0 HE2 HIS A 69 -25.389 -5.416 2.305 1.00 2.41 H new ATOM 1079 N HIS A 70 -26.305 -4.651 -4.301 1.00 4.21 N ATOM 1080 CA HIS A 70 -27.455 -5.499 -4.617 1.00 44.32 C ATOM 1081 C HIS A 70 -28.693 -5.004 -3.883 1.00 31.54 C ATOM 1082 O HIS A 70 -29.565 -4.401 -4.540 1.00 39.65 O ATOM 1083 CB HIS A 70 -27.192 -6.980 -4.309 1.00 65.15 C ATOM 1084 CG HIS A 70 -26.268 -7.634 -5.282 1.00 55.35 C ATOM 1085 ND1 HIS A 70 -25.019 -8.103 -4.942 1.00 31.32 N ATOM 1086 CD2 HIS A 70 -26.421 -7.898 -6.597 1.00 24.51 C ATOM 1087 CE1 HIS A 70 -24.443 -8.625 -6.006 1.00 12.11 C ATOM 1088 NE2 HIS A 70 -25.274 -8.515 -7.024 1.00 43.24 N ATOM 1089 OXT HIS A 70 -28.779 -5.184 -2.654 1.00 39.65 O ATOM 0 H HIS A 70 -25.994 -4.071 -5.080 1.00 4.21 H new ATOM 0 HA HIS A 70 -27.627 -5.427 -5.691 1.00 44.32 H new ATOM 0 HB2 HIS A 70 -26.772 -7.066 -3.307 1.00 65.15 H new ATOM 0 HB3 HIS A 70 -28.141 -7.516 -4.304 1.00 65.15 H new ATOM 0 HD2 HIS A 70 -27.286 -7.666 -7.200 1.00 24.51 H new ATOM 0 HE1 HIS A 70 -23.458 -9.067 -6.039 1.00 12.11 H new ATOM 0 HE2 HIS A 70 -25.093 -8.837 -7.975 1.00 43.24 H new TER 1098 HIS A 70