USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 749 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 57 ASN : amide:sc= 0.158 X(o=-0.11,f=-0.42) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.264 K(o=-0.11,f=-2.6!) USER MOD Single : A 1 GLY N :NH3+ 152:sc= 0 (180deg=-0.274) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -3.85! C(o=-3.8!,f=-6.2!) USER MOD Single : A 30 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-3.8) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -1.01 K(o=-1,f=-1.6!) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0488) USER MOD Single : A 51 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.38) USER MOD Single : A 54 ASN :FLIP amide:sc= -5.75! C(o=-6.3!,f=-5.8!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.971 USER MOD Single : A 61 SER OG : rot 68:sc= 0.23 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -1.95 F(o=-2.5!,f=-2) USER MOD Single : A 65 SER OG : rot 150:sc= -0.648 USER MOD Single : A 67 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.11 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -114:sc= 0.169 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00629 USER MOD Single : A 87 LYS NZ :NH3+ -150:sc= -3.95! (180deg=-5.04!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.606 1.832 4.987 1.00 0.00 N ATOM 2 CA GLY A 1 -18.863 0.759 5.706 1.00 0.00 C ATOM 3 C GLY A 1 -18.846 -0.556 4.942 1.00 0.00 C ATOM 4 O GLY A 1 -17.854 -0.878 4.287 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.998 2.505 5.676 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.959 2.332 4.345 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.381 1.409 4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.838 1.087 5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.318 0.601 6.684 1.00 0.00 H new ATOM 10 N PRO A 2 -19.939 -1.342 5.010 1.00 0.00 N ATOM 11 CA PRO A 2 -20.038 -2.635 4.317 1.00 0.00 C ATOM 12 C PRO A 2 -20.267 -2.479 2.813 1.00 0.00 C ATOM 13 O PRO A 2 -20.896 -1.517 2.370 1.00 0.00 O ATOM 14 CB PRO A 2 -21.249 -3.289 4.980 1.00 0.00 C ATOM 15 CG PRO A 2 -22.106 -2.147 5.401 1.00 0.00 C ATOM 16 CD PRO A 2 -21.165 -1.033 5.772 1.00 0.00 C ATOM 0 HA PRO A 2 -19.119 -3.216 4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -21.775 -3.945 4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.953 -3.899 5.834 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -22.772 -1.842 4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -22.735 -2.423 6.247 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -21.571 -0.059 5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -20.975 -1.010 6.845 1.00 0.00 H new ATOM 24 N GLY A 3 -19.754 -3.435 2.036 1.00 0.00 N ATOM 25 CA GLY A 3 -19.912 -3.390 0.590 1.00 0.00 C ATOM 26 C GLY A 3 -20.376 -4.715 0.006 1.00 0.00 C ATOM 27 O GLY A 3 -20.930 -5.551 0.722 1.00 0.00 O ATOM 0 H GLY A 3 -19.232 -4.239 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -20.631 -2.613 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -18.962 -3.110 0.134 1.00 0.00 H new ATOM 31 N PRO A 4 -20.163 -4.935 -1.308 1.00 0.00 N ATOM 32 CA PRO A 4 -20.562 -6.164 -1.992 1.00 0.00 C ATOM 33 C PRO A 4 -19.547 -7.289 -1.800 1.00 0.00 C ATOM 34 O PRO A 4 -18.571 -7.140 -1.064 1.00 0.00 O ATOM 35 CB PRO A 4 -20.626 -5.752 -3.475 1.00 0.00 C ATOM 36 CG PRO A 4 -20.227 -4.308 -3.529 1.00 0.00 C ATOM 37 CD PRO A 4 -19.518 -4.011 -2.239 1.00 0.00 C ATOM 0 HA PRO A 4 -21.503 -6.554 -1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.954 -6.364 -4.078 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -21.630 -5.893 -3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -19.576 -4.118 -4.382 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -21.102 -3.668 -3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -18.446 -4.192 -2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -19.646 -2.972 -1.935 1.00 0.00 H new ATOM 45 N ALA A 5 -19.782 -8.412 -2.475 1.00 0.00 N ATOM 46 CA ALA A 5 -18.888 -9.560 -2.389 1.00 0.00 C ATOM 47 C ALA A 5 -17.844 -9.518 -3.502 1.00 0.00 C ATOM 48 O ALA A 5 -16.653 -9.356 -3.237 1.00 0.00 O ATOM 49 CB ALA A 5 -19.687 -10.853 -2.450 1.00 0.00 C ATOM 0 H ALA A 5 -20.586 -8.550 -3.088 1.00 0.00 H new ATOM 0 HA ALA A 5 -18.364 -9.520 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -19.008 -11.703 -2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -20.390 -10.886 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -20.235 -10.898 -3.391 1.00 0.00 H new ATOM 55 N ILE A 6 -18.302 -9.657 -4.747 1.00 0.00 N ATOM 56 CA ILE A 6 -17.414 -9.629 -5.908 1.00 0.00 C ATOM 57 C ILE A 6 -18.126 -9.009 -7.114 1.00 0.00 C ATOM 58 O ILE A 6 -18.252 -9.637 -8.168 1.00 0.00 O ATOM 59 CB ILE A 6 -16.898 -11.042 -6.290 1.00 0.00 C ATOM 60 CG1 ILE A 6 -17.008 -12.015 -5.109 1.00 0.00 C ATOM 61 CG2 ILE A 6 -15.458 -10.958 -6.776 1.00 0.00 C ATOM 62 CD1 ILE A 6 -16.812 -13.464 -5.500 1.00 0.00 C ATOM 0 H ILE A 6 -19.287 -9.791 -4.977 1.00 0.00 H new ATOM 0 HA ILE A 6 -16.554 -9.019 -5.630 1.00 0.00 H new ATOM 0 HB ILE A 6 -17.525 -11.425 -7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -16.266 -11.746 -4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -17.988 -11.901 -4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -15.105 -11.954 -7.042 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -15.406 -10.310 -7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -14.830 -10.550 -5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -16.903 -14.095 -4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -17.570 -13.750 -6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -15.822 -13.592 -5.937 1.00 0.00 H new ATOM 74 N GLY A 7 -18.600 -7.773 -6.944 1.00 0.00 N ATOM 75 CA GLY A 7 -19.304 -7.089 -8.016 1.00 0.00 C ATOM 76 C GLY A 7 -18.596 -5.839 -8.498 1.00 0.00 C ATOM 77 O GLY A 7 -18.463 -5.629 -9.704 1.00 0.00 O ATOM 0 H GLY A 7 -18.508 -7.235 -6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.428 -7.774 -8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.303 -6.822 -7.672 1.00 0.00 H new ATOM 81 N GLU A 8 -18.159 -4.997 -7.561 1.00 0.00 N ATOM 82 CA GLU A 8 -17.484 -3.754 -7.916 1.00 0.00 C ATOM 83 C GLU A 8 -16.047 -3.713 -7.395 1.00 0.00 C ATOM 84 O GLU A 8 -15.767 -4.141 -6.275 1.00 0.00 O ATOM 85 CB GLU A 8 -18.269 -2.558 -7.376 1.00 0.00 C ATOM 86 CG GLU A 8 -19.661 -2.424 -7.974 1.00 0.00 C ATOM 87 CD GLU A 8 -19.929 -1.038 -8.526 1.00 0.00 C ATOM 88 OE1 GLU A 8 -20.416 -0.179 -7.763 1.00 0.00 O ATOM 89 OE2 GLU A 8 -19.650 -0.813 -9.722 1.00 0.00 O ATOM 0 H GLU A 8 -18.260 -5.154 -6.558 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.442 -3.704 -9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -18.355 -2.649 -6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.707 -1.645 -7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -19.782 -3.158 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -20.404 -2.657 -7.211 1.00 0.00 H new ATOM 96 N VAL A 9 -15.144 -3.178 -8.222 1.00 0.00 N ATOM 97 CA VAL A 9 -13.730 -3.053 -7.863 1.00 0.00 C ATOM 98 C VAL A 9 -13.275 -1.602 -7.990 1.00 0.00 C ATOM 99 O VAL A 9 -13.617 -0.923 -8.959 1.00 0.00 O ATOM 100 CB VAL A 9 -12.832 -3.942 -8.748 1.00 0.00 C ATOM 101 CG1 VAL A 9 -11.403 -3.957 -8.222 1.00 0.00 C ATOM 102 CG2 VAL A 9 -13.391 -5.353 -8.830 1.00 0.00 C ATOM 0 H VAL A 9 -15.370 -2.823 -9.151 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.632 -3.384 -6.829 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.819 -3.521 -9.753 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.787 -4.590 -8.861 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.004 -2.943 -8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.394 -4.349 -7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.744 -5.965 -9.459 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.439 -5.784 -7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -14.392 -5.323 -9.260 1.00 0.00 H new ATOM 112 N ILE A 10 -12.517 -1.125 -7.002 1.00 0.00 N ATOM 113 CA ILE A 10 -12.040 0.255 -7.008 1.00 0.00 C ATOM 114 C ILE A 10 -10.585 0.369 -6.543 1.00 0.00 C ATOM 115 O ILE A 10 -10.024 -0.571 -5.977 1.00 0.00 O ATOM 116 CB ILE A 10 -12.934 1.145 -6.122 1.00 0.00 C ATOM 117 CG1 ILE A 10 -13.095 0.531 -4.727 1.00 0.00 C ATOM 118 CG2 ILE A 10 -14.292 1.341 -6.780 1.00 0.00 C ATOM 119 CD1 ILE A 10 -13.647 1.496 -3.700 1.00 0.00 C ATOM 0 H ILE A 10 -12.222 -1.671 -6.193 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.091 0.598 -8.041 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.456 2.118 -6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.756 -0.333 -4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.126 0.166 -4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.916 1.971 -6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -14.160 1.820 -7.750 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -14.774 0.373 -6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.734 0.992 -2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.975 2.349 -3.604 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.630 1.843 -4.018 1.00 0.00 H new ATOM 131 N GLY A 11 -9.988 1.536 -6.795 1.00 0.00 N ATOM 132 CA GLY A 11 -8.603 1.789 -6.415 1.00 0.00 C ATOM 133 C GLY A 11 -7.874 2.609 -7.465 1.00 0.00 C ATOM 134 O GLY A 11 -8.488 3.034 -8.445 1.00 0.00 O ATOM 0 H GLY A 11 -10.446 2.319 -7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.578 2.315 -5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.086 0.840 -6.270 1.00 0.00 H new ATOM 138 N ILE A 12 -6.571 2.852 -7.274 1.00 0.00 N ATOM 139 CA ILE A 12 -5.821 3.646 -8.245 1.00 0.00 C ATOM 140 C ILE A 12 -4.768 2.825 -8.988 1.00 0.00 C ATOM 141 O ILE A 12 -4.318 1.782 -8.512 1.00 0.00 O ATOM 142 CB ILE A 12 -5.156 4.879 -7.596 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.876 4.498 -6.841 1.00 0.00 C ATOM 144 CG2 ILE A 12 -6.139 5.594 -6.680 1.00 0.00 C ATOM 145 CD1 ILE A 12 -4.088 3.590 -5.647 1.00 0.00 C ATOM 0 H ILE A 12 -6.029 2.519 -6.477 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.558 3.988 -8.972 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.869 5.563 -8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.194 4.008 -7.536 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.385 5.411 -6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.654 6.461 -6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.003 5.921 -7.258 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.465 4.913 -5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.128 3.376 -5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.742 4.082 -4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.547 2.658 -5.976 1.00 0.00 H new ATOM 157 N SER A 13 -4.397 3.317 -10.170 1.00 0.00 N ATOM 158 CA SER A 13 -3.407 2.663 -11.028 1.00 0.00 C ATOM 159 C SER A 13 -1.980 2.882 -10.529 1.00 0.00 C ATOM 160 O SER A 13 -1.673 3.910 -9.917 1.00 0.00 O ATOM 161 CB SER A 13 -3.518 3.208 -12.450 1.00 0.00 C ATOM 162 OG SER A 13 -2.902 2.338 -13.384 1.00 0.00 O ATOM 0 H SER A 13 -4.774 4.181 -10.560 1.00 0.00 H new ATOM 0 HA SER A 13 -3.616 1.594 -11.007 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.568 3.340 -12.710 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.051 4.191 -12.502 1.00 0.00 H new ATOM 0 HG SER A 13 -2.990 2.711 -14.286 1.00 0.00 H new ATOM 168 N VAL A 14 -1.099 1.924 -10.841 1.00 0.00 N ATOM 169 CA VAL A 14 0.309 2.020 -10.468 1.00 0.00 C ATOM 170 C VAL A 14 0.940 3.230 -11.152 1.00 0.00 C ATOM 171 O VAL A 14 1.894 3.820 -10.642 1.00 0.00 O ATOM 172 CB VAL A 14 1.092 0.745 -10.855 1.00 0.00 C ATOM 173 CG1 VAL A 14 1.106 0.557 -12.364 1.00 0.00 C ATOM 174 CG2 VAL A 14 2.511 0.795 -10.304 1.00 0.00 C ATOM 0 H VAL A 14 -1.341 1.075 -11.351 1.00 0.00 H new ATOM 0 HA VAL A 14 0.360 2.131 -9.385 1.00 0.00 H new ATOM 0 HB VAL A 14 0.585 -0.112 -10.411 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.663 -0.346 -12.613 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.083 0.465 -12.729 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.582 1.418 -12.833 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.044 -0.112 -10.588 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.029 1.663 -10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.477 0.870 -9.217 1.00 0.00 H new ATOM 184 N ASN A 15 0.375 3.593 -12.312 1.00 0.00 N ATOM 185 CA ASN A 15 0.839 4.731 -13.093 1.00 0.00 C ATOM 186 C ASN A 15 1.042 5.962 -12.214 1.00 0.00 C ATOM 187 O ASN A 15 1.991 6.722 -12.411 1.00 0.00 O ATOM 188 CB ASN A 15 -0.170 5.050 -14.191 1.00 0.00 C ATOM 189 CG ASN A 15 0.458 5.755 -15.377 1.00 0.00 C ATOM 190 OD1 ASN A 15 0.449 6.982 -15.459 1.00 0.00 O ATOM 191 ND2 ASN A 15 1.007 4.980 -16.305 1.00 0.00 N ATOM 0 H ASN A 15 -0.416 3.101 -12.729 1.00 0.00 H new ATOM 0 HA ASN A 15 1.798 4.466 -13.537 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.637 4.125 -14.529 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.962 5.675 -13.780 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.444 5.399 -17.126 1.00 0.00 H new ATOM 0 HD22 ASN A 15 0.992 3.966 -16.197 1.00 0.00 H new ATOM 198 N ASP A 16 0.143 6.150 -11.245 1.00 0.00 N ATOM 199 CA ASP A 16 0.223 7.288 -10.333 1.00 0.00 C ATOM 200 C ASP A 16 1.574 7.297 -9.609 1.00 0.00 C ATOM 201 O ASP A 16 1.881 6.389 -8.835 1.00 0.00 O ATOM 202 CB ASP A 16 -0.937 7.240 -9.334 1.00 0.00 C ATOM 203 CG ASP A 16 -0.990 8.460 -8.431 1.00 0.00 C ATOM 204 OD1 ASP A 16 -0.199 8.525 -7.469 1.00 0.00 O ATOM 205 OD2 ASP A 16 -1.826 9.350 -8.687 1.00 0.00 O ATOM 0 H ASP A 16 -0.647 5.528 -11.074 1.00 0.00 H new ATOM 0 HA ASP A 16 0.144 8.211 -10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.877 7.157 -9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.845 6.344 -8.720 1.00 0.00 H new ATOM 210 N PRO A 17 2.409 8.323 -9.885 1.00 0.00 N ATOM 211 CA PRO A 17 3.754 8.461 -9.298 1.00 0.00 C ATOM 212 C PRO A 17 3.778 8.452 -7.769 1.00 0.00 C ATOM 213 O PRO A 17 4.746 7.982 -7.173 1.00 0.00 O ATOM 214 CB PRO A 17 4.251 9.814 -9.828 1.00 0.00 C ATOM 215 CG PRO A 17 3.039 10.505 -10.351 1.00 0.00 C ATOM 216 CD PRO A 17 2.118 9.421 -10.819 1.00 0.00 C ATOM 0 HA PRO A 17 4.377 7.611 -9.577 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.724 10.396 -9.037 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.995 9.679 -10.613 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.569 11.109 -9.575 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.296 11.179 -11.168 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.073 9.728 -10.770 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.319 9.137 -11.852 1.00 0.00 H new ATOM 224 N ARG A 18 2.721 8.958 -7.135 1.00 0.00 N ATOM 225 CA ARG A 18 2.656 8.985 -5.673 1.00 0.00 C ATOM 226 C ARG A 18 2.370 7.595 -5.134 1.00 0.00 C ATOM 227 O ARG A 18 2.992 7.144 -4.179 1.00 0.00 O ATOM 228 CB ARG A 18 1.572 9.948 -5.179 1.00 0.00 C ATOM 229 CG ARG A 18 1.478 11.238 -5.967 1.00 0.00 C ATOM 230 CD ARG A 18 2.786 12.007 -5.935 1.00 0.00 C ATOM 231 NE ARG A 18 3.264 12.343 -7.275 1.00 0.00 N ATOM 232 CZ ARG A 18 2.645 13.192 -8.102 1.00 0.00 C ATOM 233 NH1 ARG A 18 1.509 13.785 -7.741 1.00 0.00 N ATOM 234 NH2 ARG A 18 3.167 13.449 -9.296 1.00 0.00 N ATOM 0 H ARG A 18 1.905 9.351 -7.604 1.00 0.00 H new ATOM 0 HA ARG A 18 3.623 9.332 -5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.608 9.441 -5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.765 10.188 -4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.211 11.016 -7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.680 11.858 -5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.653 12.923 -5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.542 11.414 -5.420 1.00 0.00 H new ATOM 0 HE ARG A 18 4.124 11.902 -7.600 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.102 13.593 -6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.045 14.431 -8.380 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.037 12.999 -9.580 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.697 14.096 -9.929 1.00 0.00 H new ATOM 248 N VAL A 19 1.419 6.925 -5.763 1.00 0.00 N ATOM 249 CA VAL A 19 1.022 5.588 -5.371 1.00 0.00 C ATOM 250 C VAL A 19 2.183 4.599 -5.483 1.00 0.00 C ATOM 251 O VAL A 19 2.382 3.764 -4.602 1.00 0.00 O ATOM 252 CB VAL A 19 -0.159 5.118 -6.237 1.00 0.00 C ATOM 253 CG1 VAL A 19 -0.426 3.637 -6.035 1.00 0.00 C ATOM 254 CG2 VAL A 19 -1.397 5.938 -5.920 1.00 0.00 C ATOM 0 H VAL A 19 0.902 7.295 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 19 0.716 5.622 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 19 0.100 5.268 -7.285 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.266 3.330 -6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.460 3.066 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.664 3.450 -4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.227 5.597 -6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.654 5.816 -4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.199 6.990 -6.126 1.00 0.00 H new ATOM 264 N LYS A 20 2.944 4.702 -6.569 1.00 0.00 N ATOM 265 CA LYS A 20 4.087 3.818 -6.801 1.00 0.00 C ATOM 266 C LYS A 20 5.264 4.150 -5.877 1.00 0.00 C ATOM 267 O LYS A 20 5.969 3.248 -5.419 1.00 0.00 O ATOM 268 CB LYS A 20 4.537 3.907 -8.264 1.00 0.00 C ATOM 269 CG LYS A 20 4.702 5.334 -8.764 1.00 0.00 C ATOM 270 CD LYS A 20 6.159 5.682 -9.007 1.00 0.00 C ATOM 271 CE LYS A 20 6.487 5.723 -10.491 1.00 0.00 C ATOM 272 NZ LYS A 20 7.127 7.008 -10.886 1.00 0.00 N ATOM 0 H LYS A 20 2.791 5.391 -7.306 1.00 0.00 H new ATOM 0 HA LYS A 20 3.763 2.802 -6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.484 3.379 -8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.809 3.393 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.139 5.463 -9.688 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.280 6.026 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.382 6.650 -8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.796 4.948 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.152 4.896 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.573 5.581 -11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.334 6.994 -11.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.482 7.796 -10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.012 7.133 -10.355 1.00 0.00 H new ATOM 286 N GLU A 21 5.476 5.441 -5.610 1.00 0.00 N ATOM 287 CA GLU A 21 6.574 5.877 -4.753 1.00 0.00 C ATOM 288 C GLU A 21 6.240 5.682 -3.279 1.00 0.00 C ATOM 289 O GLU A 21 7.097 5.292 -2.484 1.00 0.00 O ATOM 290 CB GLU A 21 6.911 7.346 -5.026 1.00 0.00 C ATOM 291 CG GLU A 21 5.888 8.333 -4.487 1.00 0.00 C ATOM 292 CD GLU A 21 6.232 9.774 -4.816 1.00 0.00 C ATOM 293 OE1 GLU A 21 5.819 10.255 -5.892 1.00 0.00 O ATOM 294 OE2 GLU A 21 6.912 10.424 -3.995 1.00 0.00 O ATOM 0 H GLU A 21 4.901 6.200 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 21 7.443 5.261 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.883 7.571 -4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.006 7.491 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.908 8.095 -4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.815 8.219 -3.405 1.00 0.00 H new ATOM 301 N ILE A 22 4.992 5.961 -2.921 1.00 0.00 N ATOM 302 CA ILE A 22 4.545 5.822 -1.543 1.00 0.00 C ATOM 303 C ILE A 22 4.394 4.340 -1.166 1.00 0.00 C ATOM 304 O ILE A 22 4.656 3.956 -0.023 1.00 0.00 O ATOM 305 CB ILE A 22 3.236 6.614 -1.298 1.00 0.00 C ATOM 306 CG1 ILE A 22 3.475 8.100 -1.596 1.00 0.00 C ATOM 307 CG2 ILE A 22 2.739 6.442 0.132 1.00 0.00 C ATOM 308 CD1 ILE A 22 2.215 8.873 -1.913 1.00 0.00 C ATOM 0 H ILE A 22 4.272 6.285 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 22 5.307 6.251 -0.892 1.00 0.00 H new ATOM 0 HB ILE A 22 2.468 6.222 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.964 8.559 -0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.163 8.185 -2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.819 7.011 0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.545 5.387 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.497 6.805 0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.467 9.915 -2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.735 8.442 -2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.533 8.821 -1.064 1.00 0.00 H new ATOM 320 N ALA A 23 4.024 3.503 -2.146 1.00 0.00 N ATOM 321 CA ALA A 23 3.901 2.061 -1.922 1.00 0.00 C ATOM 322 C ALA A 23 5.290 1.460 -1.711 1.00 0.00 C ATOM 323 O ALA A 23 5.524 0.718 -0.753 1.00 0.00 O ATOM 324 CB ALA A 23 3.201 1.390 -3.094 1.00 0.00 C ATOM 0 H ALA A 23 3.806 3.801 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 23 3.297 1.891 -1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.121 0.319 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.204 1.813 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.776 1.556 -4.005 1.00 0.00 H new ATOM 330 N GLU A 24 6.217 1.818 -2.608 1.00 0.00 N ATOM 331 CA GLU A 24 7.603 1.357 -2.523 1.00 0.00 C ATOM 332 C GLU A 24 8.145 1.610 -1.122 1.00 0.00 C ATOM 333 O GLU A 24 8.696 0.712 -0.484 1.00 0.00 O ATOM 334 CB GLU A 24 8.470 2.061 -3.580 1.00 0.00 C ATOM 335 CG GLU A 24 9.340 3.188 -3.042 1.00 0.00 C ATOM 336 CD GLU A 24 10.136 3.891 -4.124 1.00 0.00 C ATOM 337 OE1 GLU A 24 11.196 3.364 -4.520 1.00 0.00 O ATOM 338 OE2 GLU A 24 9.705 4.975 -4.569 1.00 0.00 O ATOM 0 H GLU A 24 6.028 2.428 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 24 7.635 0.286 -2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.112 1.320 -4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.818 2.462 -4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.708 3.916 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.027 2.786 -2.297 1.00 0.00 H new ATOM 345 N PHE A 25 7.958 2.842 -0.646 1.00 0.00 N ATOM 346 CA PHE A 25 8.398 3.224 0.692 1.00 0.00 C ATOM 347 C PHE A 25 7.743 2.330 1.739 1.00 0.00 C ATOM 348 O PHE A 25 8.374 1.954 2.727 1.00 0.00 O ATOM 349 CB PHE A 25 8.062 4.686 0.990 1.00 0.00 C ATOM 350 CG PHE A 25 8.667 5.178 2.277 1.00 0.00 C ATOM 351 CD1 PHE A 25 8.034 4.954 3.493 1.00 0.00 C ATOM 352 CD2 PHE A 25 9.872 5.858 2.269 1.00 0.00 C ATOM 353 CE1 PHE A 25 8.597 5.400 4.671 1.00 0.00 C ATOM 354 CE2 PHE A 25 10.437 6.308 3.446 1.00 0.00 C ATOM 355 CZ PHE A 25 9.799 6.078 4.648 1.00 0.00 C ATOM 0 H PHE A 25 7.504 3.591 -1.169 1.00 0.00 H new ATOM 0 HA PHE A 25 9.480 3.101 0.732 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.414 5.309 0.168 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.979 4.802 1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.092 4.426 3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.377 6.039 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.097 5.219 5.611 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.377 6.839 3.426 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.240 6.428 5.570 1.00 0.00 H new ATOM 365 N ALA A 26 6.472 1.988 1.509 1.00 0.00 N ATOM 366 CA ALA A 26 5.730 1.127 2.430 1.00 0.00 C ATOM 367 C ALA A 26 6.464 -0.197 2.656 1.00 0.00 C ATOM 368 O ALA A 26 6.497 -0.708 3.774 1.00 0.00 O ATOM 369 CB ALA A 26 4.322 0.876 1.906 1.00 0.00 C ATOM 0 H ALA A 26 5.938 2.294 0.695 1.00 0.00 H new ATOM 0 HA ALA A 26 5.658 1.639 3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.784 0.234 2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.796 1.826 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.378 0.389 0.933 1.00 0.00 H new ATOM 375 N LEU A 27 7.053 -0.745 1.591 1.00 0.00 N ATOM 376 CA LEU A 27 7.789 -2.009 1.686 1.00 0.00 C ATOM 377 C LEU A 27 9.147 -1.822 2.378 1.00 0.00 C ATOM 378 O LEU A 27 9.504 -2.596 3.268 1.00 0.00 O ATOM 379 CB LEU A 27 7.982 -2.624 0.287 1.00 0.00 C ATOM 380 CG LEU A 27 9.267 -3.433 0.084 1.00 0.00 C ATOM 381 CD1 LEU A 27 9.302 -4.629 1.024 1.00 0.00 C ATOM 382 CD2 LEU A 27 9.383 -3.884 -1.365 1.00 0.00 C ATOM 0 H LEU A 27 7.035 -0.336 0.657 1.00 0.00 H new ATOM 0 HA LEU A 27 7.197 -2.691 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.131 -3.271 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.962 -1.820 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 27 10.119 -2.794 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.222 -5.191 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.264 -4.282 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.445 -5.273 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.301 -4.458 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.526 -4.507 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.405 -3.011 -2.017 1.00 0.00 H new ATOM 394 N LYS A 28 9.905 -0.806 1.952 1.00 0.00 N ATOM 395 CA LYS A 28 11.235 -0.538 2.518 1.00 0.00 C ATOM 396 C LYS A 28 11.186 -0.080 3.984 1.00 0.00 C ATOM 397 O LYS A 28 12.199 -0.147 4.683 1.00 0.00 O ATOM 398 CB LYS A 28 11.981 0.499 1.669 1.00 0.00 C ATOM 399 CG LYS A 28 11.298 1.856 1.602 1.00 0.00 C ATOM 400 CD LYS A 28 12.305 2.994 1.687 1.00 0.00 C ATOM 401 CE LYS A 28 12.262 3.880 0.451 1.00 0.00 C ATOM 402 NZ LYS A 28 13.546 3.845 -0.303 1.00 0.00 N ATOM 0 H LYS A 28 9.623 -0.156 1.219 1.00 0.00 H new ATOM 0 HA LYS A 28 11.774 -1.485 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.985 0.629 2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.093 0.111 0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.736 1.936 0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.580 1.943 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.100 3.595 2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.308 2.584 1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.450 3.556 -0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.043 4.906 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.475 4.462 -1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.317 4.178 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.743 2.870 -0.608 1.00 0.00 H new ATOM 416 N GLN A 29 10.021 0.379 4.452 1.00 0.00 N ATOM 417 CA GLN A 29 9.873 0.833 5.832 1.00 0.00 C ATOM 418 C GLN A 29 9.754 -0.354 6.790 1.00 0.00 C ATOM 419 O GLN A 29 10.178 -0.273 7.943 1.00 0.00 O ATOM 420 CB GLN A 29 8.649 1.740 5.957 1.00 0.00 C ATOM 421 CG GLN A 29 8.818 2.865 6.972 1.00 0.00 C ATOM 422 CD GLN A 29 8.267 2.527 8.347 1.00 0.00 C ATOM 423 OE1 GLN A 29 8.327 1.384 8.792 1.00 0.00 O ATOM 424 NE2 GLN A 29 7.722 3.528 9.031 1.00 0.00 N ATOM 0 H GLN A 29 9.170 0.445 3.894 1.00 0.00 H new ATOM 0 HA GLN A 29 10.764 1.399 6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.428 2.173 4.982 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.787 1.135 6.239 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.877 3.106 7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.318 3.759 6.599 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.691 4.464 8.627 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.335 3.360 9.960 1.00 0.00 H new ATOM 433 N HIS A 30 9.176 -1.455 6.303 1.00 0.00 N ATOM 434 CA HIS A 30 9.002 -2.656 7.112 1.00 0.00 C ATOM 435 C HIS A 30 10.346 -3.386 7.270 1.00 0.00 C ATOM 436 O HIS A 30 11.292 -2.814 7.813 1.00 0.00 O ATOM 437 CB HIS A 30 7.922 -3.553 6.483 1.00 0.00 C ATOM 438 CG HIS A 30 7.432 -4.648 7.381 1.00 0.00 C ATOM 439 ND1 HIS A 30 6.448 -5.541 7.016 1.00 0.00 N ATOM 440 CD2 HIS A 30 7.800 -4.993 8.633 1.00 0.00 C ATOM 441 CE1 HIS A 30 6.234 -6.387 8.007 1.00 0.00 C ATOM 442 NE2 HIS A 30 7.043 -6.076 9.001 1.00 0.00 N ATOM 0 H HIS A 30 8.821 -1.536 5.350 1.00 0.00 H new ATOM 0 HA HIS A 30 8.664 -2.384 8.112 1.00 0.00 H new ATOM 0 HB2 HIS A 30 7.075 -2.932 6.191 1.00 0.00 H new ATOM 0 HB3 HIS A 30 8.321 -3.998 5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 30 8.553 -4.506 9.235 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.518 -7.196 8.004 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.097 -6.561 9.897 1.00 0.00 H new ATOM 451 N ALA A 31 10.443 -4.631 6.789 1.00 0.00 N ATOM 452 CA ALA A 31 11.688 -5.391 6.877 1.00 0.00 C ATOM 453 C ALA A 31 12.073 -5.717 8.325 1.00 0.00 C ATOM 454 O ALA A 31 13.258 -5.776 8.660 1.00 0.00 O ATOM 455 CB ALA A 31 12.801 -4.618 6.186 1.00 0.00 C ATOM 0 H ALA A 31 9.676 -5.129 6.337 1.00 0.00 H new ATOM 0 HA ALA A 31 11.535 -6.346 6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.731 -5.183 6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.541 -4.465 5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.929 -3.651 6.673 1.00 0.00 H new ATOM 461 N GLU A 32 11.073 -5.945 9.178 1.00 0.00 N ATOM 462 CA GLU A 32 11.320 -6.279 10.573 1.00 0.00 C ATOM 463 C GLU A 32 11.723 -7.748 10.701 1.00 0.00 C ATOM 464 O GLU A 32 12.604 -8.095 11.488 1.00 0.00 O ATOM 465 CB GLU A 32 10.068 -5.974 11.410 1.00 0.00 C ATOM 466 CG GLU A 32 9.795 -6.968 12.528 1.00 0.00 C ATOM 467 CD GLU A 32 10.523 -6.619 13.811 1.00 0.00 C ATOM 468 OE1 GLU A 32 11.714 -6.975 13.935 1.00 0.00 O ATOM 469 OE2 GLU A 32 9.904 -5.988 14.692 1.00 0.00 O ATOM 0 H GLU A 32 10.086 -5.903 8.923 1.00 0.00 H new ATOM 0 HA GLU A 32 12.142 -5.671 10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.171 -4.979 11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.203 -5.946 10.748 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.723 -7.005 12.722 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.095 -7.965 12.204 1.00 0.00 H new ATOM 476 N GLN A 33 11.079 -8.594 9.901 1.00 0.00 N ATOM 477 CA GLN A 33 11.361 -10.029 9.889 1.00 0.00 C ATOM 478 C GLN A 33 11.883 -10.479 8.516 1.00 0.00 C ATOM 479 O GLN A 33 12.003 -11.677 8.255 1.00 0.00 O ATOM 480 CB GLN A 33 10.105 -10.828 10.251 1.00 0.00 C ATOM 481 CG GLN A 33 8.801 -10.061 10.083 1.00 0.00 C ATOM 482 CD GLN A 33 7.578 -10.921 10.346 1.00 0.00 C ATOM 483 OE1 GLN A 33 7.562 -12.112 10.032 1.00 0.00 O ATOM 484 NE2 GLN A 33 6.543 -10.320 10.925 1.00 0.00 N ATOM 0 H GLN A 33 10.351 -8.308 9.246 1.00 0.00 H new ATOM 0 HA GLN A 33 12.133 -10.220 10.634 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.068 -11.724 9.631 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.186 -11.160 11.286 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.795 -9.210 10.764 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.748 -9.660 9.071 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.598 -9.331 11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.694 -10.848 11.125 1.00 0.00 H new ATOM 493 N ASN A 34 12.194 -9.506 7.650 1.00 0.00 N ATOM 494 CA ASN A 34 12.709 -9.769 6.307 1.00 0.00 C ATOM 495 C ASN A 34 11.644 -10.385 5.395 1.00 0.00 C ATOM 496 O ASN A 34 11.437 -11.600 5.390 1.00 0.00 O ATOM 497 CB ASN A 34 13.952 -10.664 6.371 1.00 0.00 C ATOM 498 CG ASN A 34 14.434 -11.107 5.000 1.00 0.00 C ATOM 499 OD1 ASN A 34 14.450 -12.299 4.692 1.00 0.00 O ATOM 500 ND2 ASN A 34 14.831 -10.150 4.167 1.00 0.00 N ATOM 0 H ASN A 34 12.094 -8.514 7.865 1.00 0.00 H new ATOM 0 HA ASN A 34 12.991 -8.810 5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.755 -10.127 6.876 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.729 -11.544 6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.164 -10.392 3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.802 -9.174 4.461 1.00 0.00 H new ATOM 507 N LEU A 35 10.987 -9.525 4.613 1.00 0.00 N ATOM 508 CA LEU A 35 9.956 -9.948 3.668 1.00 0.00 C ATOM 509 C LEU A 35 10.117 -9.180 2.358 1.00 0.00 C ATOM 510 O LEU A 35 10.580 -8.037 2.358 1.00 0.00 O ATOM 511 CB LEU A 35 8.557 -9.769 4.282 1.00 0.00 C ATOM 512 CG LEU A 35 7.795 -8.492 3.902 1.00 0.00 C ATOM 513 CD1 LEU A 35 6.504 -8.846 3.180 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.494 -7.656 5.140 1.00 0.00 C ATOM 0 H LEU A 35 11.156 -8.519 4.618 1.00 0.00 H new ATOM 0 HA LEU A 35 10.071 -11.009 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.948 -10.626 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.656 -9.796 5.367 1.00 0.00 H new ATOM 0 HG LEU A 35 8.423 -7.903 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.972 -7.932 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.736 -9.406 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.877 -9.454 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.954 -6.755 4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.884 -8.237 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.429 -7.377 5.626 1.00 0.00 H new ATOM 526 N ILE A 36 9.793 -9.827 1.238 1.00 0.00 N ATOM 527 CA ILE A 36 9.974 -9.204 -0.069 1.00 0.00 C ATOM 528 C ILE A 36 8.661 -8.991 -0.808 1.00 0.00 C ATOM 529 O ILE A 36 7.913 -9.934 -1.038 1.00 0.00 O ATOM 530 CB ILE A 36 10.902 -10.067 -0.950 1.00 0.00 C ATOM 531 CG1 ILE A 36 11.664 -11.094 -0.096 1.00 0.00 C ATOM 532 CG2 ILE A 36 11.862 -9.183 -1.728 1.00 0.00 C ATOM 533 CD1 ILE A 36 12.314 -12.195 -0.901 1.00 0.00 C ATOM 0 H ILE A 36 9.408 -10.771 1.211 1.00 0.00 H new ATOM 0 HA ILE A 36 10.419 -8.227 0.117 1.00 0.00 H new ATOM 0 HB ILE A 36 10.290 -10.617 -1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.431 -10.576 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.974 -11.540 0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.510 -9.805 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.296 -8.504 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.469 -8.605 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.832 -12.880 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.550 -12.740 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.030 -11.761 -1.599 1.00 0.00 H new ATOM 545 N LEU A 37 8.407 -7.745 -1.204 1.00 0.00 N ATOM 546 CA LEU A 37 7.201 -7.406 -1.946 1.00 0.00 C ATOM 547 C LEU A 37 7.453 -7.534 -3.446 1.00 0.00 C ATOM 548 O LEU A 37 8.270 -6.804 -4.009 1.00 0.00 O ATOM 549 CB LEU A 37 6.755 -5.984 -1.610 1.00 0.00 C ATOM 550 CG LEU A 37 5.327 -5.637 -2.029 1.00 0.00 C ATOM 551 CD1 LEU A 37 4.334 -6.106 -0.975 1.00 0.00 C ATOM 552 CD2 LEU A 37 5.190 -4.142 -2.266 1.00 0.00 C ATOM 0 H LEU A 37 9.024 -6.954 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 37 6.410 -8.099 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.848 -5.835 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.438 -5.283 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 37 5.106 -6.154 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.322 -5.851 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.415 -7.186 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.553 -5.617 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.167 -3.913 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.430 -3.605 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.875 -3.835 -3.056 1.00 0.00 H new ATOM 564 N ALA A 38 6.749 -8.466 -4.086 1.00 0.00 N ATOM 565 CA ALA A 38 6.898 -8.690 -5.521 1.00 0.00 C ATOM 566 C ALA A 38 6.419 -7.486 -6.325 1.00 0.00 C ATOM 567 O ALA A 38 6.913 -7.245 -7.427 1.00 0.00 O ATOM 568 CB ALA A 38 6.145 -9.938 -5.951 1.00 0.00 C ATOM 0 H ALA A 38 6.070 -9.078 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 38 7.960 -8.832 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.269 -10.086 -7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.539 -10.803 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.086 -9.821 -5.721 1.00 0.00 H new ATOM 574 N GLY A 39 5.464 -6.726 -5.777 1.00 0.00 N ATOM 575 CA GLY A 39 4.975 -5.560 -6.495 1.00 0.00 C ATOM 576 C GLY A 39 3.646 -5.031 -5.987 1.00 0.00 C ATOM 577 O GLY A 39 3.008 -5.638 -5.125 1.00 0.00 O ATOM 0 H GLY A 39 5.031 -6.894 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.719 -4.767 -6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.874 -5.813 -7.550 1.00 0.00 H new ATOM 581 N VAL A 40 3.238 -3.889 -6.544 1.00 0.00 N ATOM 582 CA VAL A 40 1.982 -3.234 -6.183 1.00 0.00 C ATOM 583 C VAL A 40 0.799 -3.917 -6.881 1.00 0.00 C ATOM 584 O VAL A 40 0.883 -4.268 -8.060 1.00 0.00 O ATOM 585 CB VAL A 40 2.031 -1.728 -6.559 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.645 -1.179 -6.886 1.00 0.00 C ATOM 587 CG2 VAL A 40 2.689 -0.915 -5.447 1.00 0.00 C ATOM 0 H VAL A 40 3.771 -3.393 -7.259 1.00 0.00 H new ATOM 0 HA VAL A 40 1.845 -3.321 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 40 2.637 -1.636 -7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.724 -0.123 -7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.226 -1.728 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.006 -1.294 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.713 0.137 -5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.118 -1.029 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.707 -1.272 -5.289 1.00 0.00 H new ATOM 597 N ASP A 41 -0.298 -4.110 -6.144 1.00 0.00 N ATOM 598 CA ASP A 41 -1.490 -4.760 -6.692 1.00 0.00 C ATOM 599 C ASP A 41 -2.646 -3.770 -6.849 1.00 0.00 C ATOM 600 O ASP A 41 -3.098 -3.506 -7.964 1.00 0.00 O ATOM 601 CB ASP A 41 -1.924 -5.920 -5.787 1.00 0.00 C ATOM 602 CG ASP A 41 -2.036 -7.243 -6.524 1.00 0.00 C ATOM 603 OD1 ASP A 41 -2.441 -7.242 -7.706 1.00 0.00 O ATOM 604 OD2 ASP A 41 -1.726 -8.285 -5.913 1.00 0.00 O ATOM 0 H ASP A 41 -0.385 -3.826 -5.168 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.233 -5.144 -7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.207 -6.025 -4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.887 -5.680 -5.336 1.00 0.00 H new ATOM 609 N ALA A 42 -3.119 -3.235 -5.724 1.00 0.00 N ATOM 610 CA ALA A 42 -4.226 -2.278 -5.720 1.00 0.00 C ATOM 611 C ALA A 42 -4.029 -1.239 -4.622 1.00 0.00 C ATOM 612 O ALA A 42 -3.217 -1.437 -3.718 1.00 0.00 O ATOM 613 CB ALA A 42 -5.553 -2.999 -5.535 1.00 0.00 C ATOM 0 H ALA A 42 -2.750 -3.450 -4.798 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.242 -1.766 -6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.365 -2.272 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.700 -3.706 -6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.546 -3.536 -4.586 1.00 0.00 H new ATOM 619 N GLY A 43 -4.760 -0.127 -4.700 1.00 0.00 N ATOM 620 CA GLY A 43 -4.609 0.904 -3.693 1.00 0.00 C ATOM 621 C GLY A 43 -5.760 1.884 -3.619 1.00 0.00 C ATOM 622 O GLY A 43 -6.693 1.835 -4.417 1.00 0.00 O ATOM 0 H GLY A 43 -5.442 0.074 -5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.490 0.428 -2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.691 1.456 -3.892 1.00 0.00 H new ATOM 626 N GLN A 44 -5.671 2.773 -2.633 1.00 0.00 N ATOM 627 CA GLN A 44 -6.683 3.790 -2.387 1.00 0.00 C ATOM 628 C GLN A 44 -6.043 5.045 -1.785 1.00 0.00 C ATOM 629 O GLN A 44 -4.984 4.966 -1.159 1.00 0.00 O ATOM 630 CB GLN A 44 -7.731 3.238 -1.419 1.00 0.00 C ATOM 631 CG GLN A 44 -8.644 2.193 -2.037 1.00 0.00 C ATOM 632 CD GLN A 44 -9.751 2.794 -2.886 1.00 0.00 C ATOM 633 OE1 GLN A 44 -10.102 3.965 -2.738 1.00 0.00 O ATOM 634 NE2 GLN A 44 -10.310 1.990 -3.783 1.00 0.00 N ATOM 0 H GLN A 44 -4.889 2.806 -1.979 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.155 4.055 -3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.224 2.801 -0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.338 4.063 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.049 1.518 -2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -9.089 1.593 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.990 1.026 -3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.060 2.337 -4.381 1.00 0.00 H new ATOM 643 N ILE A 45 -6.689 6.196 -1.963 1.00 0.00 N ATOM 644 CA ILE A 45 -6.174 7.456 -1.422 1.00 0.00 C ATOM 645 C ILE A 45 -7.299 8.285 -0.801 1.00 0.00 C ATOM 646 O ILE A 45 -8.284 8.609 -1.467 1.00 0.00 O ATOM 647 CB ILE A 45 -5.451 8.291 -2.506 1.00 0.00 C ATOM 648 CG1 ILE A 45 -4.244 7.528 -3.056 1.00 0.00 C ATOM 649 CG2 ILE A 45 -5.009 9.634 -1.946 1.00 0.00 C ATOM 650 CD1 ILE A 45 -4.520 6.817 -4.361 1.00 0.00 C ATOM 0 H ILE A 45 -7.567 6.284 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.451 7.198 -0.648 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.154 8.469 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.419 8.225 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.919 6.797 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.503 10.204 -2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.881 10.188 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.326 9.473 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.620 6.298 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.324 6.095 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.816 7.545 -5.116 1.00 0.00 H new ATOM 662 N ILE A 46 -7.144 8.621 0.482 1.00 0.00 N ATOM 663 CA ILE A 46 -8.144 9.409 1.201 1.00 0.00 C ATOM 664 C ILE A 46 -7.639 10.829 1.461 1.00 0.00 C ATOM 665 O ILE A 46 -6.614 11.028 2.134 1.00 0.00 O ATOM 666 CB ILE A 46 -8.537 8.737 2.535 1.00 0.00 C ATOM 667 CG1 ILE A 46 -9.150 7.357 2.265 1.00 0.00 C ATOM 668 CG2 ILE A 46 -9.507 9.616 3.316 1.00 0.00 C ATOM 669 CD1 ILE A 46 -9.545 6.603 3.517 1.00 0.00 C ATOM 0 H ILE A 46 -6.334 8.359 1.043 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.030 9.462 0.569 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.640 8.608 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.030 7.479 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.435 6.757 1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.771 9.124 4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.037 10.576 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.408 9.778 2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.970 5.638 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.665 6.447 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.285 7.180 4.071 1.00 0.00 H new ATOM 681 N LYS A 47 -8.359 11.808 0.898 1.00 0.00 N ATOM 682 CA LYS A 47 -7.999 13.218 1.038 1.00 0.00 C ATOM 683 C LYS A 47 -9.210 14.119 1.307 1.00 0.00 C ATOM 684 O LYS A 47 -10.356 13.747 1.050 1.00 0.00 O ATOM 685 CB LYS A 47 -7.271 13.716 -0.217 1.00 0.00 C ATOM 686 CG LYS A 47 -7.654 12.987 -1.499 1.00 0.00 C ATOM 687 CD LYS A 47 -8.933 13.545 -2.102 1.00 0.00 C ATOM 688 CE LYS A 47 -8.642 14.639 -3.116 1.00 0.00 C ATOM 689 NZ LYS A 47 -8.112 14.091 -4.396 1.00 0.00 N ATOM 0 H LYS A 47 -9.197 11.645 0.340 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.340 13.279 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.476 14.779 -0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.197 13.615 -0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.843 13.072 -2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.784 11.925 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.490 12.741 -2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.567 13.942 -1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.554 15.202 -3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.920 15.339 -2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.135 14.831 -5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.132 13.771 -4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.699 13.287 -4.699 1.00 0.00 H new ATOM 703 N GLY A 48 -8.911 15.326 1.786 1.00 0.00 N ATOM 704 CA GLY A 48 -9.920 16.342 2.059 1.00 0.00 C ATOM 705 C GLY A 48 -9.393 17.695 1.619 1.00 0.00 C ATOM 706 O GLY A 48 -9.826 18.248 0.608 1.00 0.00 O ATOM 0 H GLY A 48 -7.959 15.625 1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.843 16.107 1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.159 16.359 3.122 1.00 0.00 H new ATOM 710 N ILE A 49 -8.393 18.174 2.355 1.00 0.00 N ATOM 711 CA ILE A 49 -7.694 19.415 2.043 1.00 0.00 C ATOM 712 C ILE A 49 -6.226 19.044 1.836 1.00 0.00 C ATOM 713 O ILE A 49 -5.570 18.570 2.766 1.00 0.00 O ATOM 714 CB ILE A 49 -7.842 20.473 3.166 1.00 0.00 C ATOM 715 CG1 ILE A 49 -7.401 21.850 2.664 1.00 0.00 C ATOM 716 CG2 ILE A 49 -7.045 20.077 4.402 1.00 0.00 C ATOM 717 CD1 ILE A 49 -8.097 22.289 1.392 1.00 0.00 C ATOM 0 H ILE A 49 -8.043 17.707 3.191 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.122 19.872 1.151 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.894 20.523 3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.590 22.588 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.325 21.836 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.168 20.838 5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.406 19.119 4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.990 19.990 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.732 23.273 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.888 21.573 0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -9.172 22.337 1.564 1.00 0.00 H new ATOM 729 N PRO A 50 -5.700 19.148 0.603 1.00 0.00 N ATOM 730 CA PRO A 50 -4.340 18.713 0.329 1.00 0.00 C ATOM 731 C PRO A 50 -3.243 19.741 0.559 1.00 0.00 C ATOM 732 O PRO A 50 -3.106 20.727 -0.167 1.00 0.00 O ATOM 733 CB PRO A 50 -4.401 18.329 -1.137 1.00 0.00 C ATOM 734 CG PRO A 50 -5.391 19.286 -1.722 1.00 0.00 C ATOM 735 CD PRO A 50 -6.390 19.593 -0.624 1.00 0.00 C ATOM 0 HA PRO A 50 -4.060 17.918 1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.426 18.422 -1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.721 17.295 -1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.897 20.196 -2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.888 18.849 -2.588 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.631 20.655 -0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.328 19.058 -0.774 1.00 0.00 H new ATOM 743 N HIS A 51 -2.415 19.415 1.534 1.00 0.00 N ATOM 744 CA HIS A 51 -1.228 20.185 1.881 1.00 0.00 C ATOM 745 C HIS A 51 -0.024 19.244 1.755 1.00 0.00 C ATOM 746 O HIS A 51 1.013 19.439 2.389 1.00 0.00 O ATOM 747 CB HIS A 51 -1.336 20.738 3.305 1.00 0.00 C ATOM 748 CG HIS A 51 -2.383 21.796 3.462 1.00 0.00 C ATOM 749 ND1 HIS A 51 -2.087 23.137 3.562 1.00 0.00 N ATOM 750 CD2 HIS A 51 -3.732 21.703 3.539 1.00 0.00 C ATOM 751 CE1 HIS A 51 -3.207 23.825 3.695 1.00 0.00 C ATOM 752 NE2 HIS A 51 -4.219 22.978 3.683 1.00 0.00 N ATOM 0 H HIS A 51 -2.549 18.591 2.121 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.118 21.040 1.214 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.556 19.918 3.988 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.370 21.148 3.600 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.315 20.795 3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.282 24.898 3.796 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.204 23.230 3.767 1.00 0.00 H new ATOM 761 N TRP A 52 -0.219 18.191 0.943 1.00 0.00 N ATOM 762 CA TRP A 52 0.762 17.145 0.707 1.00 0.00 C ATOM 763 C TRP A 52 0.899 16.227 1.924 1.00 0.00 C ATOM 764 O TRP A 52 1.969 15.684 2.204 1.00 0.00 O ATOM 765 CB TRP A 52 2.107 17.702 0.242 1.00 0.00 C ATOM 766 CG TRP A 52 2.704 16.881 -0.866 1.00 0.00 C ATOM 767 CD1 TRP A 52 4.031 16.711 -1.133 1.00 0.00 C ATOM 768 CD2 TRP A 52 1.993 16.104 -1.853 1.00 0.00 C ATOM 769 NE1 TRP A 52 4.194 15.875 -2.210 1.00 0.00 N ATOM 770 CE2 TRP A 52 2.962 15.490 -2.668 1.00 0.00 C ATOM 771 CE3 TRP A 52 0.634 15.861 -2.127 1.00 0.00 C ATOM 772 CZ2 TRP A 52 2.625 14.652 -3.727 1.00 0.00 C ATOM 773 CZ3 TRP A 52 0.306 15.028 -3.179 1.00 0.00 C ATOM 774 CH2 TRP A 52 1.298 14.430 -3.966 1.00 0.00 C ATOM 0 H TRP A 52 -1.087 18.050 0.426 1.00 0.00 H new ATOM 0 HA TRP A 52 0.391 16.535 -0.116 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.976 18.729 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 52 2.798 17.731 1.084 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.837 17.168 -0.578 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.089 15.587 -2.605 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -0.138 16.317 -1.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.387 14.193 -4.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.734 14.835 -3.398 1.00 0.00 H new ATOM 0 HH2 TRP A 52 1.008 13.780 -4.778 1.00 0.00 H new ATOM 785 N ASP A 53 -0.231 16.033 2.610 1.00 0.00 N ATOM 786 CA ASP A 53 -0.326 15.156 3.775 1.00 0.00 C ATOM 787 C ASP A 53 -1.375 14.067 3.510 1.00 0.00 C ATOM 788 O ASP A 53 -2.006 13.557 4.438 1.00 0.00 O ATOM 789 CB ASP A 53 -0.706 15.958 5.023 1.00 0.00 C ATOM 790 CG ASP A 53 0.244 17.108 5.291 1.00 0.00 C ATOM 791 OD1 ASP A 53 1.320 16.865 5.874 1.00 0.00 O ATOM 792 OD2 ASP A 53 -0.089 18.252 4.920 1.00 0.00 O ATOM 0 H ASP A 53 -1.112 16.486 2.368 1.00 0.00 H new ATOM 0 HA ASP A 53 0.645 14.692 3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.717 16.347 4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.719 15.294 5.887 1.00 0.00 H new ATOM 797 N ASN A 54 -1.575 13.746 2.225 1.00 0.00 N ATOM 798 CA ASN A 54 -2.568 12.757 1.801 1.00 0.00 C ATOM 799 C ASN A 54 -2.323 11.386 2.424 1.00 0.00 C ATOM 800 O ASN A 54 -1.176 10.969 2.599 1.00 0.00 O ATOM 801 CB ASN A 54 -2.571 12.646 0.272 1.00 0.00 C ATOM 802 CG ASN A 54 -3.965 12.711 -0.314 1.00 0.00 C ATOM 803 OD1 ASN A 54 -4.773 11.694 -0.040 1.00 0.00 O flip ATOM 804 ND2 ASN A 54 -4.310 13.664 -1.011 1.00 0.00 N flip ATOM 0 H ASN A 54 -1.054 14.164 1.454 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.542 13.101 2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.967 13.450 -0.148 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.101 11.707 -0.021 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.655 14.424 -1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.251 13.694 -1.404 1.00 0.00 H new ATOM 811 N TYR A 55 -3.415 10.683 2.745 1.00 0.00 N ATOM 812 CA TYR A 55 -3.314 9.352 3.335 1.00 0.00 C ATOM 813 C TYR A 55 -3.442 8.283 2.255 1.00 0.00 C ATOM 814 O TYR A 55 -4.401 8.282 1.481 1.00 0.00 O ATOM 815 CB TYR A 55 -4.383 9.161 4.416 1.00 0.00 C ATOM 816 CG TYR A 55 -3.828 9.111 5.828 1.00 0.00 C ATOM 817 CD1 TYR A 55 -2.572 9.630 6.130 1.00 0.00 C ATOM 818 CD2 TYR A 55 -4.563 8.542 6.859 1.00 0.00 C ATOM 819 CE1 TYR A 55 -2.069 9.580 7.415 1.00 0.00 C ATOM 820 CE2 TYR A 55 -4.066 8.489 8.146 1.00 0.00 C ATOM 821 CZ TYR A 55 -2.819 9.008 8.419 1.00 0.00 C ATOM 822 OH TYR A 55 -2.322 8.956 9.700 1.00 0.00 O ATOM 0 H TYR A 55 -4.370 11.014 2.606 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.335 9.253 3.803 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -5.104 9.976 4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.926 8.237 4.217 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.981 10.079 5.346 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.541 8.134 6.651 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.093 9.987 7.632 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.652 8.043 8.936 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.976 8.522 10.287 1.00 0.00 H new ATOM 832 N TYR A 56 -2.455 7.388 2.194 1.00 0.00 N ATOM 833 CA TYR A 56 -2.440 6.328 1.192 1.00 0.00 C ATOM 834 C TYR A 56 -2.699 4.952 1.812 1.00 0.00 C ATOM 835 O TYR A 56 -2.057 4.564 2.787 1.00 0.00 O ATOM 836 CB TYR A 56 -1.093 6.334 0.461 1.00 0.00 C ATOM 837 CG TYR A 56 -0.974 7.420 -0.591 1.00 0.00 C ATOM 838 CD1 TYR A 56 -0.987 8.764 -0.232 1.00 0.00 C ATOM 839 CD2 TYR A 56 -0.845 7.105 -1.939 1.00 0.00 C ATOM 840 CE1 TYR A 56 -0.877 9.759 -1.183 1.00 0.00 C ATOM 841 CE2 TYR A 56 -0.733 8.098 -2.896 1.00 0.00 C ATOM 842 CZ TYR A 56 -0.751 9.422 -2.512 1.00 0.00 C ATOM 843 OH TYR A 56 -0.645 10.412 -3.461 1.00 0.00 O ATOM 0 H TYR A 56 -1.656 7.378 2.828 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.246 6.522 0.484 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.294 6.459 1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.943 5.364 -0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.085 9.034 0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.832 6.069 -2.244 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.890 10.797 -0.886 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.632 7.837 -3.939 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.210 11.197 -3.068 1.00 0.00 H new ATOM 853 N ASN A 57 -3.642 4.220 1.219 1.00 0.00 N ATOM 854 CA ASN A 57 -4.007 2.876 1.670 1.00 0.00 C ATOM 855 C ASN A 57 -3.918 1.915 0.491 1.00 0.00 C ATOM 856 O ASN A 57 -4.669 2.059 -0.466 1.00 0.00 O ATOM 857 CB ASN A 57 -5.435 2.880 2.232 1.00 0.00 C ATOM 858 CG ASN A 57 -5.901 1.499 2.660 1.00 0.00 C ATOM 859 OD1 ASN A 57 -6.941 1.019 2.211 1.00 0.00 O ATOM 860 ND2 ASN A 57 -5.132 0.851 3.531 1.00 0.00 N ATOM 0 H ASN A 57 -4.175 4.542 0.411 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.323 2.557 2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.483 3.556 3.086 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.117 3.271 1.477 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.397 -0.080 3.851 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.277 1.286 3.879 1.00 0.00 H new ATOM 867 N LEU A 58 -2.990 0.955 0.529 1.00 0.00 N ATOM 868 CA LEU A 58 -2.842 0.034 -0.602 1.00 0.00 C ATOM 869 C LEU A 58 -2.527 -1.405 -0.193 1.00 0.00 C ATOM 870 O LEU A 58 -2.061 -1.675 0.916 1.00 0.00 O ATOM 871 CB LEU A 58 -1.750 0.545 -1.547 1.00 0.00 C ATOM 872 CG LEU A 58 -1.973 1.958 -2.094 1.00 0.00 C ATOM 873 CD1 LEU A 58 -1.209 2.978 -1.263 1.00 0.00 C ATOM 874 CD2 LEU A 58 -1.564 2.041 -3.558 1.00 0.00 C ATOM 0 H LEU A 58 -2.347 0.797 1.305 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.810 0.010 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.796 0.522 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.667 -0.144 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.036 2.187 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.379 3.976 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.556 2.940 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.144 2.750 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.731 3.053 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.508 1.789 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.160 1.340 -4.143 1.00 0.00 H new ATOM 886 N ILE A 59 -2.777 -2.316 -1.139 1.00 0.00 N ATOM 887 CA ILE A 59 -2.526 -3.747 -0.962 1.00 0.00 C ATOM 888 C ILE A 59 -1.520 -4.222 -2.017 1.00 0.00 C ATOM 889 O ILE A 59 -1.674 -3.911 -3.200 1.00 0.00 O ATOM 890 CB ILE A 59 -3.823 -4.576 -1.114 1.00 0.00 C ATOM 891 CG1 ILE A 59 -4.974 -3.937 -0.326 1.00 0.00 C ATOM 892 CG2 ILE A 59 -3.596 -6.020 -0.677 1.00 0.00 C ATOM 893 CD1 ILE A 59 -4.998 -4.306 1.140 1.00 0.00 C ATOM 0 H ILE A 59 -3.161 -2.078 -2.053 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.134 -3.893 0.044 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.101 -4.583 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.904 -2.853 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.920 -4.234 -0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.521 -6.585 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.818 -6.469 -1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.287 -6.040 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.841 -3.814 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.101 -5.386 1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.069 -3.984 1.611 1.00 0.00 H new ATOM 905 N LEU A 60 -0.486 -4.955 -1.598 1.00 0.00 N ATOM 906 CA LEU A 60 0.532 -5.433 -2.535 1.00 0.00 C ATOM 907 C LEU A 60 0.891 -6.905 -2.295 1.00 0.00 C ATOM 908 O LEU A 60 0.555 -7.478 -1.258 1.00 0.00 O ATOM 909 CB LEU A 60 1.792 -4.563 -2.430 1.00 0.00 C ATOM 910 CG LEU A 60 1.556 -3.085 -2.092 1.00 0.00 C ATOM 911 CD1 LEU A 60 1.391 -2.892 -0.593 1.00 0.00 C ATOM 912 CD2 LEU A 60 2.700 -2.233 -2.618 1.00 0.00 C ATOM 0 H LEU A 60 -0.332 -5.228 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 60 0.115 -5.356 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.444 -4.991 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.329 -4.619 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 60 0.634 -2.766 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.225 -1.836 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.537 -3.472 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.293 -3.229 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.518 -1.187 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.635 -2.557 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.768 -2.343 -3.700 1.00 0.00 H new ATOM 924 N SER A 61 1.583 -7.505 -3.272 1.00 0.00 N ATOM 925 CA SER A 61 2.005 -8.910 -3.191 1.00 0.00 C ATOM 926 C SER A 61 3.442 -9.020 -2.690 1.00 0.00 C ATOM 927 O SER A 61 4.315 -8.262 -3.131 1.00 0.00 O ATOM 928 CB SER A 61 1.890 -9.586 -4.559 1.00 0.00 C ATOM 929 OG SER A 61 0.547 -9.618 -5.002 1.00 0.00 O ATOM 0 H SER A 61 1.864 -7.036 -4.133 1.00 0.00 H new ATOM 0 HA SER A 61 1.345 -9.414 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.503 -9.051 -5.285 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.281 -10.602 -4.500 1.00 0.00 H new ATOM 0 HG SER A 61 0.243 -8.706 -5.191 1.00 0.00 H new ATOM 935 N ALA A 62 3.680 -9.967 -1.771 1.00 0.00 N ATOM 936 CA ALA A 62 5.014 -10.178 -1.202 1.00 0.00 C ATOM 937 C ALA A 62 5.272 -11.642 -0.840 1.00 0.00 C ATOM 938 O ALA A 62 4.382 -12.345 -0.361 1.00 0.00 O ATOM 939 CB ALA A 62 5.201 -9.300 0.027 1.00 0.00 C ATOM 0 H ALA A 62 2.965 -10.597 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 62 5.738 -9.902 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.195 -9.464 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.093 -8.252 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.449 -9.554 0.774 1.00 0.00 H new ATOM 945 N LYS A 63 6.514 -12.080 -1.067 1.00 0.00 N ATOM 946 CA LYS A 63 6.942 -13.444 -0.766 1.00 0.00 C ATOM 947 C LYS A 63 8.390 -13.460 -0.271 1.00 0.00 C ATOM 948 O LYS A 63 9.108 -12.459 -0.379 1.00 0.00 O ATOM 949 CB LYS A 63 6.784 -14.369 -1.983 1.00 0.00 C ATOM 950 CG LYS A 63 6.993 -13.694 -3.328 1.00 0.00 C ATOM 951 CD LYS A 63 8.453 -13.346 -3.565 1.00 0.00 C ATOM 952 CE LYS A 63 8.616 -11.905 -4.026 1.00 0.00 C ATOM 953 NZ LYS A 63 9.073 -11.814 -5.442 1.00 0.00 N ATOM 0 H LYS A 63 7.250 -11.496 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 63 6.295 -13.821 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.493 -15.191 -1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.785 -14.806 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.643 -14.352 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.391 -12.787 -3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.019 -13.501 -2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.871 -14.018 -4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.666 -11.381 -3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.334 -11.398 -3.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.170 -10.814 -5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.992 -12.290 -5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.376 -12.274 -6.062 1.00 0.00 H new ATOM 967 N HIS A 64 8.799 -14.590 0.303 1.00 0.00 N ATOM 968 CA HIS A 64 10.145 -14.747 0.835 1.00 0.00 C ATOM 969 C HIS A 64 11.028 -15.615 -0.073 1.00 0.00 C ATOM 970 O HIS A 64 12.213 -15.797 0.214 1.00 0.00 O ATOM 971 CB HIS A 64 10.071 -15.367 2.228 1.00 0.00 C ATOM 972 CG HIS A 64 9.283 -14.552 3.204 1.00 0.00 C ATOM 973 ND1 HIS A 64 9.550 -13.357 3.777 1.00 0.00 N flip ATOM 974 CD2 HIS A 64 8.056 -14.944 3.694 1.00 0.00 C flip ATOM 975 CE1 HIS A 64 8.490 -13.052 4.594 1.00 0.00 C flip ATOM 976 NE2 HIS A 64 7.602 -14.024 4.525 1.00 0.00 N flip ATOM 0 H HIS A 64 8.209 -15.415 0.410 1.00 0.00 H new ATOM 0 HA HIS A 64 10.601 -13.758 0.886 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.625 -16.359 2.152 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.082 -15.500 2.612 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.546 -15.861 3.438 1.00 0.00 H new ATOM 0 HE1 HIS A 64 8.398 -12.160 5.196 1.00 0.00 H new ATOM 0 HE2 HIS A 64 6.715 -14.059 5.028 1.00 0.00 H new ATOM 985 N SER A 65 10.461 -16.155 -1.162 1.00 0.00 N ATOM 986 CA SER A 65 11.232 -17.002 -2.076 1.00 0.00 C ATOM 987 C SER A 65 10.733 -16.905 -3.520 1.00 0.00 C ATOM 988 O SER A 65 9.533 -16.770 -3.772 1.00 0.00 O ATOM 989 CB SER A 65 11.200 -18.462 -1.610 1.00 0.00 C ATOM 990 OG SER A 65 10.657 -19.320 -2.601 1.00 0.00 O ATOM 0 H SER A 65 9.485 -16.021 -1.427 1.00 0.00 H new ATOM 0 HA SER A 65 12.259 -16.636 -2.058 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.211 -18.787 -1.362 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.608 -18.540 -0.698 1.00 0.00 H new ATOM 0 HG SER A 65 11.060 -20.210 -2.520 1.00 0.00 H new ATOM 996 N PRO A 66 11.668 -17.007 -4.487 1.00 0.00 N ATOM 997 CA PRO A 66 11.353 -16.957 -5.923 1.00 0.00 C ATOM 998 C PRO A 66 10.522 -18.154 -6.384 1.00 0.00 C ATOM 999 O PRO A 66 9.740 -18.046 -7.328 1.00 0.00 O ATOM 1000 CB PRO A 66 12.732 -16.983 -6.591 1.00 0.00 C ATOM 1001 CG PRO A 66 13.625 -17.633 -5.592 1.00 0.00 C ATOM 1002 CD PRO A 66 13.109 -17.209 -4.247 1.00 0.00 C ATOM 0 HA PRO A 66 10.754 -16.081 -6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.709 -17.544 -7.525 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.074 -15.977 -6.832 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.603 -18.718 -5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.660 -17.320 -5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.288 -17.971 -3.489 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.591 -16.295 -3.900 1.00 0.00 H new ATOM 1010 N HIS A 67 10.703 -19.293 -5.713 1.00 0.00 N ATOM 1011 CA HIS A 67 9.977 -20.513 -6.054 1.00 0.00 C ATOM 1012 C HIS A 67 8.769 -20.734 -5.135 1.00 0.00 C ATOM 1013 O HIS A 67 8.211 -21.833 -5.102 1.00 0.00 O ATOM 1014 CB HIS A 67 10.917 -21.722 -5.976 1.00 0.00 C ATOM 1015 CG HIS A 67 11.956 -21.758 -7.056 1.00 0.00 C ATOM 1016 ND1 HIS A 67 12.575 -22.922 -7.462 1.00 0.00 N ATOM 1017 CD2 HIS A 67 12.489 -20.768 -7.811 1.00 0.00 C ATOM 1018 CE1 HIS A 67 13.443 -22.647 -8.419 1.00 0.00 C ATOM 1019 NE2 HIS A 67 13.409 -21.348 -8.649 1.00 0.00 N ATOM 0 H HIS A 67 11.348 -19.394 -4.929 1.00 0.00 H new ATOM 0 HA HIS A 67 9.605 -20.401 -7.072 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.415 -21.720 -5.007 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.323 -22.635 -6.027 1.00 0.00 H new ATOM 0 HD2 HIS A 67 12.237 -19.719 -7.763 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.073 -23.363 -8.926 1.00 0.00 H new ATOM 0 HE2 HIS A 67 13.975 -20.854 -9.339 1.00 0.00 H new ATOM 1028 N GLU A 68 8.364 -19.699 -4.388 1.00 0.00 N ATOM 1029 CA GLU A 68 7.221 -19.818 -3.483 1.00 0.00 C ATOM 1030 C GLU A 68 6.122 -18.813 -3.829 1.00 0.00 C ATOM 1031 O GLU A 68 6.328 -17.891 -4.620 1.00 0.00 O ATOM 1032 CB GLU A 68 7.661 -19.640 -2.032 1.00 0.00 C ATOM 1033 CG GLU A 68 8.189 -20.917 -1.396 1.00 0.00 C ATOM 1034 CD GLU A 68 9.261 -20.660 -0.355 1.00 0.00 C ATOM 1035 OE1 GLU A 68 8.994 -19.901 0.599 1.00 0.00 O ATOM 1036 OE2 GLU A 68 10.367 -21.224 -0.491 1.00 0.00 O ATOM 0 H GLU A 68 8.807 -18.780 -4.394 1.00 0.00 H new ATOM 0 HA GLU A 68 6.810 -20.820 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.435 -18.874 -1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.817 -19.275 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.362 -21.455 -0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.594 -21.564 -2.174 1.00 0.00 H new ATOM 1043 N PHE A 69 4.948 -19.025 -3.237 1.00 0.00 N ATOM 1044 CA PHE A 69 3.776 -18.180 -3.470 1.00 0.00 C ATOM 1045 C PHE A 69 3.917 -16.779 -2.882 1.00 0.00 C ATOM 1046 O PHE A 69 4.710 -16.545 -1.971 1.00 0.00 O ATOM 1047 CB PHE A 69 2.542 -18.837 -2.855 1.00 0.00 C ATOM 1048 CG PHE A 69 1.862 -19.820 -3.753 1.00 0.00 C ATOM 1049 CD1 PHE A 69 2.553 -20.898 -4.276 1.00 0.00 C ATOM 1050 CD2 PHE A 69 0.525 -19.665 -4.065 1.00 0.00 C ATOM 1051 CE1 PHE A 69 1.917 -21.807 -5.100 1.00 0.00 C ATOM 1052 CE2 PHE A 69 -0.116 -20.565 -4.883 1.00 0.00 C ATOM 1053 CZ PHE A 69 0.578 -21.640 -5.405 1.00 0.00 C ATOM 0 H PHE A 69 4.781 -19.788 -2.581 1.00 0.00 H new ATOM 0 HA PHE A 69 3.679 -18.078 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.834 -19.343 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.829 -18.060 -2.579 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.598 -21.030 -4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.023 -18.827 -3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.464 -22.646 -5.505 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.162 -20.432 -5.118 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.077 -22.347 -6.049 1.00 0.00 H new ATOM 1063 N SER A 70 3.089 -15.867 -3.399 1.00 0.00 N ATOM 1064 CA SER A 70 3.041 -14.484 -2.935 1.00 0.00 C ATOM 1065 C SER A 70 1.669 -14.205 -2.341 1.00 0.00 C ATOM 1066 O SER A 70 0.649 -14.588 -2.917 1.00 0.00 O ATOM 1067 CB SER A 70 3.297 -13.501 -4.080 1.00 0.00 C ATOM 1068 OG SER A 70 4.349 -13.943 -4.919 1.00 0.00 O ATOM 0 H SER A 70 2.433 -16.071 -4.153 1.00 0.00 H new ATOM 0 HA SER A 70 3.820 -14.349 -2.185 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.387 -13.381 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.544 -12.521 -3.671 1.00 0.00 H new ATOM 0 HG SER A 70 4.486 -13.294 -5.641 1.00 0.00 H new ATOM 1074 N LYS A 71 1.643 -13.539 -1.197 1.00 0.00 N ATOM 1075 CA LYS A 71 0.383 -13.214 -0.541 1.00 0.00 C ATOM 1076 C LYS A 71 0.133 -11.712 -0.569 1.00 0.00 C ATOM 1077 O LYS A 71 1.039 -10.928 -0.854 1.00 0.00 O ATOM 1078 CB LYS A 71 0.379 -13.730 0.898 1.00 0.00 C ATOM 1079 CG LYS A 71 0.468 -15.250 1.009 1.00 0.00 C ATOM 1080 CD LYS A 71 -0.397 -15.959 -0.031 1.00 0.00 C ATOM 1081 CE LYS A 71 -1.877 -15.848 0.303 1.00 0.00 C ATOM 1082 NZ LYS A 71 -2.388 -17.064 0.995 1.00 0.00 N ATOM 0 H LYS A 71 2.475 -13.214 -0.704 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.423 -13.705 -1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.217 -13.286 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.532 -13.392 1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.506 -15.561 0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.157 -15.558 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.212 -15.527 -1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.113 -17.010 -0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.041 -14.976 0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.444 -15.688 -0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.400 -16.945 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.256 -17.894 0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.865 -17.203 1.883 1.00 0.00 H new ATOM 1096 N PHE A 72 -1.101 -11.319 -0.280 1.00 0.00 N ATOM 1097 CA PHE A 72 -1.471 -9.909 -0.276 1.00 0.00 C ATOM 1098 C PHE A 72 -1.237 -9.294 1.097 1.00 0.00 C ATOM 1099 O PHE A 72 -1.276 -9.989 2.112 1.00 0.00 O ATOM 1100 CB PHE A 72 -2.938 -9.735 -0.682 1.00 0.00 C ATOM 1101 CG PHE A 72 -3.291 -10.385 -1.992 1.00 0.00 C ATOM 1102 CD1 PHE A 72 -2.483 -10.222 -3.107 1.00 0.00 C ATOM 1103 CD2 PHE A 72 -4.434 -11.157 -2.106 1.00 0.00 C ATOM 1104 CE1 PHE A 72 -2.810 -10.818 -4.309 1.00 0.00 C ATOM 1105 CE2 PHE A 72 -4.767 -11.755 -3.307 1.00 0.00 C ATOM 1106 CZ PHE A 72 -3.953 -11.585 -4.410 1.00 0.00 C ATOM 0 H PHE A 72 -1.862 -11.956 -0.045 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.841 -9.394 -1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.573 -10.150 0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.163 -8.670 -0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.588 -9.622 -3.035 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.073 -11.294 -1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.172 -10.684 -5.170 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.662 -12.354 -3.383 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.210 -12.051 -5.350 1.00 0.00 H new ATOM 1116 N TYR A 73 -0.996 -7.987 1.119 1.00 0.00 N ATOM 1117 CA TYR A 73 -0.762 -7.261 2.359 1.00 0.00 C ATOM 1118 C TYR A 73 -1.473 -5.910 2.309 1.00 0.00 C ATOM 1119 O TYR A 73 -1.496 -5.264 1.269 1.00 0.00 O ATOM 1120 CB TYR A 73 0.741 -7.027 2.580 1.00 0.00 C ATOM 1121 CG TYR A 73 1.597 -8.281 2.621 1.00 0.00 C ATOM 1122 CD1 TYR A 73 1.833 -9.034 1.474 1.00 0.00 C ATOM 1123 CD2 TYR A 73 2.180 -8.707 3.810 1.00 0.00 C ATOM 1124 CE1 TYR A 73 2.617 -10.170 1.515 1.00 0.00 C ATOM 1125 CE2 TYR A 73 2.967 -9.841 3.855 1.00 0.00 C ATOM 1126 CZ TYR A 73 3.181 -10.569 2.706 1.00 0.00 C ATOM 1127 OH TYR A 73 3.963 -11.700 2.747 1.00 0.00 O ATOM 0 H TYR A 73 -0.958 -7.405 0.282 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.153 -7.859 3.182 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.112 -6.381 1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.873 -6.487 3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.396 -8.724 0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.014 -8.141 4.714 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.787 -10.744 0.616 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.413 -10.155 4.787 1.00 0.00 H new ATOM 0 HH TYR A 73 3.524 -12.382 3.298 1.00 0.00 H new ATOM 1137 N ASN A 74 -2.029 -5.487 3.440 1.00 0.00 N ATOM 1138 CA ASN A 74 -2.721 -4.204 3.546 1.00 0.00 C ATOM 1139 C ASN A 74 -1.923 -3.262 4.440 1.00 0.00 C ATOM 1140 O ASN A 74 -1.689 -3.560 5.613 1.00 0.00 O ATOM 1141 CB ASN A 74 -4.134 -4.398 4.109 1.00 0.00 C ATOM 1142 CG ASN A 74 -4.924 -3.101 4.199 1.00 0.00 C ATOM 1143 OD1 ASN A 74 -4.457 -2.041 3.781 1.00 0.00 O ATOM 1144 ND2 ASN A 74 -6.131 -3.180 4.747 1.00 0.00 N ATOM 0 H ASN A 74 -2.013 -6.022 4.308 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.806 -3.768 2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.676 -5.103 3.479 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.065 -4.844 5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.708 -2.343 4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.482 -4.078 5.081 1.00 0.00 H new ATOM 1151 N VAL A 75 -1.486 -2.136 3.877 1.00 0.00 N ATOM 1152 CA VAL A 75 -0.690 -1.173 4.631 1.00 0.00 C ATOM 1153 C VAL A 75 -1.212 0.256 4.500 1.00 0.00 C ATOM 1154 O VAL A 75 -1.793 0.636 3.478 1.00 0.00 O ATOM 1155 CB VAL A 75 0.790 -1.203 4.193 1.00 0.00 C ATOM 1156 CG1 VAL A 75 1.422 -2.544 4.531 1.00 0.00 C ATOM 1157 CG2 VAL A 75 0.926 -0.897 2.705 1.00 0.00 C ATOM 0 H VAL A 75 -1.669 -1.871 2.909 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.774 -1.475 5.675 1.00 0.00 H new ATOM 0 HB VAL A 75 1.322 -0.427 4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.465 -2.545 4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.369 -2.710 5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.885 -3.340 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.978 -0.925 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.376 -1.641 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.521 0.094 2.499 1.00 0.00 H new ATOM 1167 N VAL A 76 -0.970 1.041 5.551 1.00 0.00 N ATOM 1168 CA VAL A 76 -1.373 2.441 5.599 1.00 0.00 C ATOM 1169 C VAL A 76 -0.137 3.335 5.549 1.00 0.00 C ATOM 1170 O VAL A 76 0.719 3.260 6.431 1.00 0.00 O ATOM 1171 CB VAL A 76 -2.168 2.757 6.886 1.00 0.00 C ATOM 1172 CG1 VAL A 76 -2.755 4.158 6.828 1.00 0.00 C ATOM 1173 CG2 VAL A 76 -3.260 1.721 7.118 1.00 0.00 C ATOM 0 H VAL A 76 -0.489 0.721 6.391 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.014 2.632 4.739 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.478 2.714 7.729 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.310 4.358 7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.950 4.886 6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.426 4.236 5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.805 1.965 8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.948 1.722 6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.809 0.734 7.218 1.00 0.00 H new ATOM 1183 N VAL A 77 -0.039 4.168 4.514 1.00 0.00 N ATOM 1184 CA VAL A 77 1.110 5.062 4.359 1.00 0.00 C ATOM 1185 C VAL A 77 0.698 6.526 4.407 1.00 0.00 C ATOM 1186 O VAL A 77 -0.372 6.902 3.927 1.00 0.00 O ATOM 1187 CB VAL A 77 1.887 4.814 3.045 1.00 0.00 C ATOM 1188 CG1 VAL A 77 3.185 4.078 3.329 1.00 0.00 C ATOM 1189 CG2 VAL A 77 1.050 4.054 2.031 1.00 0.00 C ATOM 0 H VAL A 77 -0.736 4.243 3.774 1.00 0.00 H new ATOM 0 HA VAL A 77 1.764 4.836 5.201 1.00 0.00 H new ATOM 0 HB VAL A 77 2.121 5.786 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.720 3.911 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.803 4.675 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.964 3.119 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.631 3.900 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.763 3.088 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.154 4.628 1.796 1.00 0.00 H new ATOM 1199 N LEU A 78 1.567 7.344 4.993 1.00 0.00 N ATOM 1200 CA LEU A 78 1.331 8.771 5.120 1.00 0.00 C ATOM 1201 C LEU A 78 2.431 9.572 4.419 1.00 0.00 C ATOM 1202 O LEU A 78 3.618 9.392 4.698 1.00 0.00 O ATOM 1203 CB LEU A 78 1.263 9.141 6.602 1.00 0.00 C ATOM 1204 CG LEU A 78 1.453 10.626 6.924 1.00 0.00 C ATOM 1205 CD1 LEU A 78 0.552 11.490 6.052 1.00 0.00 C ATOM 1206 CD2 LEU A 78 1.182 10.889 8.397 1.00 0.00 C ATOM 0 H LEU A 78 2.453 7.033 5.392 1.00 0.00 H new ATOM 0 HA LEU A 78 0.384 9.017 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.296 8.824 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.025 8.572 7.135 1.00 0.00 H new ATOM 0 HG LEU A 78 2.488 10.892 6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.705 12.540 6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.795 11.325 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.490 11.224 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.321 11.949 8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.157 10.603 8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.873 10.304 9.004 1.00 0.00 H new ATOM 1218 N GLU A 79 2.020 10.460 3.515 1.00 0.00 N ATOM 1219 CA GLU A 79 2.951 11.308 2.771 1.00 0.00 C ATOM 1220 C GLU A 79 3.183 12.611 3.540 1.00 0.00 C ATOM 1221 O GLU A 79 2.235 13.345 3.813 1.00 0.00 O ATOM 1222 CB GLU A 79 2.384 11.582 1.368 1.00 0.00 C ATOM 1223 CG GLU A 79 2.883 12.870 0.728 1.00 0.00 C ATOM 1224 CD GLU A 79 3.162 12.718 -0.757 1.00 0.00 C ATOM 1225 OE1 GLU A 79 2.244 12.312 -1.501 1.00 0.00 O ATOM 1226 OE2 GLU A 79 4.301 13.009 -1.176 1.00 0.00 O ATOM 0 H GLU A 79 1.039 10.612 3.279 1.00 0.00 H new ATOM 0 HA GLU A 79 3.910 10.803 2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.638 10.745 0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.296 11.619 1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.141 13.655 0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.793 13.193 1.233 1.00 0.00 H new ATOM 1233 N LYS A 80 4.439 12.885 3.915 1.00 0.00 N ATOM 1234 CA LYS A 80 4.750 14.092 4.684 1.00 0.00 C ATOM 1235 C LYS A 80 5.837 14.948 4.036 1.00 0.00 C ATOM 1236 O LYS A 80 6.891 14.447 3.631 1.00 0.00 O ATOM 1237 CB LYS A 80 5.175 13.718 6.106 1.00 0.00 C ATOM 1238 CG LYS A 80 4.814 14.766 7.146 1.00 0.00 C ATOM 1239 CD LYS A 80 4.242 14.131 8.404 1.00 0.00 C ATOM 1240 CE LYS A 80 5.339 13.569 9.295 1.00 0.00 C ATOM 1241 NZ LYS A 80 5.008 13.706 10.739 1.00 0.00 N ATOM 0 H LYS A 80 5.244 12.296 3.701 1.00 0.00 H new ATOM 0 HA LYS A 80 3.838 14.689 4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.707 12.772 6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.253 13.558 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.700 15.347 7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.087 15.461 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.667 14.873 8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.552 13.334 8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.496 12.517 9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.276 14.086 9.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.781 13.311 11.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.883 14.712 10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.128 13.191 10.944 1.00 0.00 H new ATOM 1255 N ALA A 81 5.575 16.254 3.981 1.00 0.00 N ATOM 1256 CA ALA A 81 6.520 17.218 3.426 1.00 0.00 C ATOM 1257 C ALA A 81 7.470 17.712 4.515 1.00 0.00 C ATOM 1258 O ALA A 81 8.659 17.913 4.266 1.00 0.00 O ATOM 1259 CB ALA A 81 5.776 18.385 2.792 1.00 0.00 C ATOM 0 H ALA A 81 4.707 16.670 4.318 1.00 0.00 H new ATOM 0 HA ALA A 81 7.108 16.726 2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.494 19.095 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.134 18.016 1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.166 18.881 3.547 1.00 0.00 H new ATOM 1265 N SER A 82 6.936 17.884 5.730 1.00 0.00 N ATOM 1266 CA SER A 82 7.733 18.331 6.872 1.00 0.00 C ATOM 1267 C SER A 82 8.828 17.314 7.190 1.00 0.00 C ATOM 1268 O SER A 82 9.951 17.687 7.531 1.00 0.00 O ATOM 1269 CB SER A 82 6.842 18.542 8.099 1.00 0.00 C ATOM 1270 OG SER A 82 7.008 19.844 8.631 1.00 0.00 O ATOM 0 H SER A 82 5.953 17.719 5.945 1.00 0.00 H new ATOM 0 HA SER A 82 8.200 19.281 6.611 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.798 18.388 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.085 17.801 8.860 1.00 0.00 H new ATOM 0 HG SER A 82 6.427 19.955 9.413 1.00 0.00 H new ATOM 1276 N ASP A 83 8.496 16.027 7.054 1.00 0.00 N ATOM 1277 CA ASP A 83 9.453 14.954 7.304 1.00 0.00 C ATOM 1278 C ASP A 83 10.417 14.798 6.120 1.00 0.00 C ATOM 1279 O ASP A 83 11.469 14.171 6.251 1.00 0.00 O ATOM 1280 CB ASP A 83 8.718 13.638 7.566 1.00 0.00 C ATOM 1281 CG ASP A 83 9.164 12.968 8.853 1.00 0.00 C ATOM 1282 OD1 ASP A 83 8.663 13.353 9.929 1.00 0.00 O ATOM 1283 OD2 ASP A 83 10.012 12.054 8.783 1.00 0.00 O ATOM 0 H ASP A 83 7.570 15.706 6.772 1.00 0.00 H new ATOM 0 HA ASP A 83 10.035 15.214 8.188 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.646 13.828 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.886 12.959 6.730 1.00 0.00 H new ATOM 1288 N ASN A 84 10.052 15.388 4.970 1.00 0.00 N ATOM 1289 CA ASN A 84 10.879 15.343 3.763 1.00 0.00 C ATOM 1290 C ASN A 84 10.878 13.958 3.105 1.00 0.00 C ATOM 1291 O ASN A 84 11.868 13.570 2.482 1.00 0.00 O ATOM 1292 CB ASN A 84 12.315 15.772 4.091 1.00 0.00 C ATOM 1293 CG ASN A 84 13.027 16.389 2.903 1.00 0.00 C ATOM 1294 OD1 ASN A 84 13.925 15.781 2.322 1.00 0.00 O ATOM 1295 ND2 ASN A 84 12.631 17.604 2.536 1.00 0.00 N ATOM 0 H ASN A 84 9.180 15.905 4.856 1.00 0.00 H new ATOM 0 HA ASN A 84 10.444 16.040 3.047 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.297 16.489 4.911 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.879 14.906 4.437 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.076 18.068 1.744 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.882 18.072 3.046 1.00 0.00 H new ATOM 1302 N SER A 85 9.767 13.218 3.225 1.00 0.00 N ATOM 1303 CA SER A 85 9.673 11.890 2.618 1.00 0.00 C ATOM 1304 C SER A 85 8.328 11.220 2.916 1.00 0.00 C ATOM 1305 O SER A 85 7.376 11.865 3.362 1.00 0.00 O ATOM 1306 CB SER A 85 10.820 10.995 3.108 1.00 0.00 C ATOM 1307 OG SER A 85 11.256 10.119 2.081 1.00 0.00 O ATOM 0 H SER A 85 8.932 13.515 3.731 1.00 0.00 H new ATOM 0 HA SER A 85 9.750 12.021 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.653 11.615 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.491 10.415 3.970 1.00 0.00 H new ATOM 0 HG SER A 85 11.988 9.560 2.416 1.00 0.00 H new ATOM 1313 N LEU A 86 8.275 9.913 2.672 1.00 0.00 N ATOM 1314 CA LEU A 86 7.072 9.117 2.913 1.00 0.00 C ATOM 1315 C LEU A 86 7.137 8.478 4.297 1.00 0.00 C ATOM 1316 O LEU A 86 8.186 8.498 4.946 1.00 0.00 O ATOM 1317 CB LEU A 86 6.909 8.012 1.855 1.00 0.00 C ATOM 1318 CG LEU A 86 7.280 8.372 0.411 1.00 0.00 C ATOM 1319 CD1 LEU A 86 6.662 9.703 0.010 1.00 0.00 C ATOM 1320 CD2 LEU A 86 8.792 8.393 0.228 1.00 0.00 C ATOM 0 H LEU A 86 9.060 9.377 2.303 1.00 0.00 H new ATOM 0 HA LEU A 86 6.214 9.787 2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.517 7.160 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.870 7.683 1.866 1.00 0.00 H new ATOM 0 HG LEU A 86 6.874 7.602 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.939 9.938 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.577 9.638 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.027 10.488 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.030 8.651 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.229 9.134 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.200 7.409 0.460 1.00 0.00 H new ATOM 1332 N LYS A 87 6.021 7.907 4.751 1.00 0.00 N ATOM 1333 CA LYS A 87 5.986 7.264 6.061 1.00 0.00 C ATOM 1334 C LYS A 87 5.012 6.094 6.095 1.00 0.00 C ATOM 1335 O LYS A 87 3.902 6.180 5.572 1.00 0.00 O ATOM 1336 CB LYS A 87 5.628 8.273 7.146 1.00 0.00 C ATOM 1337 CG LYS A 87 6.295 7.968 8.476 1.00 0.00 C ATOM 1338 CD LYS A 87 5.306 8.006 9.625 1.00 0.00 C ATOM 1339 CE LYS A 87 4.231 6.939 9.486 1.00 0.00 C ATOM 1340 NZ LYS A 87 2.859 7.512 9.580 1.00 0.00 N ATOM 0 H LYS A 87 5.140 7.877 4.237 1.00 0.00 H new ATOM 0 HA LYS A 87 6.985 6.872 6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.920 9.271 6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.547 8.286 7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.762 6.984 8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.091 8.691 8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.838 7.865 10.566 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.838 8.989 9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.347 6.431 8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.364 6.187 10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.213 6.803 9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.875 8.352 10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.530 7.782 8.631 1.00 0.00 H new ATOM 1354 N LEU A 88 5.434 5.006 6.734 1.00 0.00 N ATOM 1355 CA LEU A 88 4.601 3.817 6.864 1.00 0.00 C ATOM 1356 C LEU A 88 3.905 3.817 8.224 1.00 0.00 C ATOM 1357 O LEU A 88 4.546 3.635 9.261 1.00 0.00 O ATOM 1358 CB LEU A 88 5.447 2.550 6.687 1.00 0.00 C ATOM 1359 CG LEU A 88 4.690 1.213 6.724 1.00 0.00 C ATOM 1360 CD1 LEU A 88 5.012 0.448 8.001 1.00 0.00 C ATOM 1361 CD2 LEU A 88 3.188 1.419 6.588 1.00 0.00 C ATOM 0 H LEU A 88 6.352 4.925 7.171 1.00 0.00 H new ATOM 0 HA LEU A 88 3.841 3.829 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.971 2.620 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.207 2.534 7.468 1.00 0.00 H new ATOM 0 HG LEU A 88 5.023 0.621 5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.466 -0.495 8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.083 0.248 8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.718 1.043 8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.684 0.453 6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.830 2.041 7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.973 1.911 5.640 1.00 0.00 H new ATOM 1373 N VAL A 89 2.592 4.036 8.207 1.00 0.00 N ATOM 1374 CA VAL A 89 1.798 4.077 9.434 1.00 0.00 C ATOM 1375 C VAL A 89 1.583 2.676 10.008 1.00 0.00 C ATOM 1376 O VAL A 89 1.884 2.431 11.176 1.00 0.00 O ATOM 1377 CB VAL A 89 0.417 4.746 9.215 1.00 0.00 C ATOM 1378 CG1 VAL A 89 -0.108 5.325 10.521 1.00 0.00 C ATOM 1379 CG2 VAL A 89 0.487 5.827 8.141 1.00 0.00 C ATOM 0 H VAL A 89 2.054 4.188 7.354 1.00 0.00 H new ATOM 0 HA VAL A 89 2.370 4.677 10.142 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.275 3.978 8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.078 5.791 10.349 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.214 4.527 11.256 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.592 6.072 10.895 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.498 6.276 8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.199 6.595 8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.810 5.384 7.199 1.00 0.00 H new ATOM 1389 N ALA A 90 1.054 1.763 9.188 1.00 0.00 N ATOM 1390 CA ALA A 90 0.795 0.396 9.637 1.00 0.00 C ATOM 1391 C ALA A 90 1.022 -0.632 8.526 1.00 0.00 C ATOM 1392 O ALA A 90 0.751 -0.367 7.354 1.00 0.00 O ATOM 1393 CB ALA A 90 -0.627 0.288 10.165 1.00 0.00 C ATOM 0 H ALA A 90 0.799 1.946 8.217 1.00 0.00 H new ATOM 0 HA ALA A 90 1.504 0.172 10.434 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.815 -0.733 10.498 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.757 0.973 11.003 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.330 0.546 9.373 1.00 0.00 H new ATOM 1399 N PHE A 91 1.505 -1.814 8.916 1.00 0.00 N ATOM 1400 CA PHE A 91 1.755 -2.907 7.976 1.00 0.00 C ATOM 1401 C PHE A 91 1.015 -4.164 8.432 1.00 0.00 C ATOM 1402 O PHE A 91 1.262 -4.680 9.523 1.00 0.00 O ATOM 1403 CB PHE A 91 3.261 -3.177 7.845 1.00 0.00 C ATOM 1404 CG PHE A 91 3.651 -3.801 6.532 1.00 0.00 C ATOM 1405 CD1 PHE A 91 3.079 -4.992 6.115 1.00 0.00 C ATOM 1406 CD2 PHE A 91 4.588 -3.192 5.714 1.00 0.00 C ATOM 1407 CE1 PHE A 91 3.434 -5.562 4.908 1.00 0.00 C ATOM 1408 CE2 PHE A 91 4.948 -3.757 4.506 1.00 0.00 C ATOM 1409 CZ PHE A 91 4.370 -4.944 4.104 1.00 0.00 C ATOM 0 H PHE A 91 1.732 -2.039 9.885 1.00 0.00 H new ATOM 0 HA PHE A 91 1.381 -2.618 6.994 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.801 -2.238 7.966 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.576 -3.833 8.657 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.347 -5.480 6.741 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.043 -2.263 6.025 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.980 -6.490 4.594 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.680 -3.271 3.878 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.650 -5.389 3.161 1.00 0.00 H new ATOM 1419 N VAL A 92 0.080 -4.631 7.602 1.00 0.00 N ATOM 1420 CA VAL A 92 -0.729 -5.804 7.935 1.00 0.00 C ATOM 1421 C VAL A 92 -0.800 -6.799 6.774 1.00 0.00 C ATOM 1422 O VAL A 92 -0.841 -6.401 5.612 1.00 0.00 O ATOM 1423 CB VAL A 92 -2.165 -5.380 8.319 1.00 0.00 C ATOM 1424 CG1 VAL A 92 -2.859 -6.469 9.124 1.00 0.00 C ATOM 1425 CG2 VAL A 92 -2.153 -4.068 9.093 1.00 0.00 C ATOM 0 H VAL A 92 -0.135 -4.215 6.696 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.245 -6.292 8.781 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.727 -5.230 7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.867 -6.145 9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.911 -7.382 8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.296 -6.661 10.037 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.174 -3.789 9.353 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.567 -4.188 10.004 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.709 -3.286 8.477 1.00 0.00 H new ATOM 1435 N PRO A 93 -0.824 -8.114 7.077 1.00 0.00 N ATOM 1436 CA PRO A 93 -0.902 -9.163 6.062 1.00 0.00 C ATOM 1437 C PRO A 93 -2.346 -9.495 5.679 1.00 0.00 C ATOM 1438 O PRO A 93 -3.221 -9.577 6.543 1.00 0.00 O ATOM 1439 CB PRO A 93 -0.250 -10.347 6.767 1.00 0.00 C ATOM 1440 CG PRO A 93 -0.608 -10.171 8.205 1.00 0.00 C ATOM 1441 CD PRO A 93 -0.776 -8.687 8.437 1.00 0.00 C ATOM 0 HA PRO A 93 -0.424 -8.878 5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.623 -11.295 6.378 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.831 -10.348 6.624 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.528 -10.706 8.442 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.172 -10.577 8.850 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.688 -8.471 8.993 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.053 -8.277 9.013 1.00 0.00 H new ATOM 1449 N LEU A 94 -2.587 -9.689 4.382 1.00 0.00 N ATOM 1450 CA LEU A 94 -3.925 -10.018 3.890 1.00 0.00 C ATOM 1451 C LEU A 94 -4.076 -11.526 3.650 1.00 0.00 C ATOM 1452 O LEU A 94 -4.800 -11.950 2.747 1.00 0.00 O ATOM 1453 CB LEU A 94 -4.226 -9.245 2.596 1.00 0.00 C ATOM 1454 CG LEU A 94 -5.335 -8.193 2.704 1.00 0.00 C ATOM 1455 CD1 LEU A 94 -6.706 -8.848 2.647 1.00 0.00 C ATOM 1456 CD2 LEU A 94 -5.184 -7.383 3.983 1.00 0.00 C ATOM 0 H LEU A 94 -1.875 -9.624 3.655 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.642 -9.723 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.312 -8.752 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.501 -9.960 1.821 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.244 -7.515 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.478 -8.083 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.816 -9.379 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.808 -9.552 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.981 -6.642 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.244 -8.048 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.218 -6.878 3.982 1.00 0.00 H new ATOM 1468 N PHE A 95 -3.389 -12.332 4.462 1.00 0.00 N ATOM 1469 CA PHE A 95 -3.444 -13.788 4.333 1.00 0.00 C ATOM 1470 C PHE A 95 -3.348 -14.467 5.701 1.00 0.00 C ATOM 1471 O PHE A 95 -2.472 -14.075 6.504 1.00 0.00 O ATOM 1472 CB PHE A 95 -2.315 -14.276 3.414 1.00 0.00 C ATOM 1473 CG PHE A 95 -0.937 -13.894 3.884 1.00 0.00 C ATOM 1474 CD1 PHE A 95 -0.511 -12.578 3.816 1.00 0.00 C ATOM 1475 CD2 PHE A 95 -0.072 -14.849 4.394 1.00 0.00 C ATOM 1476 CE1 PHE A 95 0.750 -12.221 4.246 1.00 0.00 C ATOM 1477 CE2 PHE A 95 1.192 -14.496 4.826 1.00 0.00 C ATOM 1478 CZ PHE A 95 1.603 -13.181 4.752 1.00 0.00 C ATOM 1479 OXT PHE A 95 -4.154 -15.386 5.959 1.00 0.00 O ATOM 0 H PHE A 95 -2.788 -12.000 5.216 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.404 -14.057 3.892 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.372 -15.361 3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.473 -13.871 2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.174 -11.822 3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.389 -15.880 4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.070 -11.191 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.858 -15.249 5.221 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.591 -12.903 5.089 1.00 0.00 H new TER 1489 PHE A 95