USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 695 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 15 SER OG : rot 40:sc= 0.13 USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 84 LYS NZ :NH3+ -169:sc= 0.133 (180deg=0) USER MOD Set 2.1: A 51 MET CE :methyl 151:sc= -1.58 (180deg=-1.56!) USER MOD Set 2.2: A 80 ASN : amide:sc= -0.567 X(o=-2.1,f=-2.2) USER MOD Set 3.1: A 60 HIS :FLIP no HE2:sc= -11.9! C(o=-17!,f=-16!) USER MOD Set 3.2: A 64 HIS :FLIP no HD1:sc= -4.47! C(o=-19!,f=-16!) USER MOD Set 4.1: A 20 CYS SG : rot -55:sc= 0.375 USER MOD Set 4.2: A 42 CYS SG : rot -64:sc= -2.72 USER MOD Set 4.3: A 43 CYS SG : rot -121:sc= -1.5! USER MOD Set 4.4: A 46 CYS SG : rot -29:sc= 0.347 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 2 SER OG : rot 180:sc=-0.00388 USER MOD Single : A 5 ASN : amide:sc= -1.99 K(o=-2,f=-5.2!) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.248 F(o=-1.9,f=-0.25) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 5:sc= 0.0882 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-5.4!) USER MOD Single : A 52 ASN :FLIP amide:sc= -1.43 F(o=-2.1!,f=-1.4) USER MOD Single : A 53 MET CE :methyl -127:sc=-0.00588 (180deg=-0.0916) USER MOD Single : A 54 MET CE :methyl 159:sc= -0.0908 (180deg=-0.697) USER MOD Single : A 59 LYS NZ :NH3+ -120:sc= -3.96! (180deg=-6.06!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-2.8!) USER MOD Single : A 74 ASN : amide:sc= -0.0279 K(o=-0.028,f=-0.96) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.425 F(o=-1.4,f=-0.43) USER MOD Single : A 85 ASN :FLIP amide:sc= -1.42! C(o=-1.9!,f=-1.4!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.512 15.519 -6.052 1.00 0.00 N ATOM 2 CA MET A 1 5.785 15.172 -5.445 1.00 0.00 C ATOM 3 C MET A 1 5.687 13.851 -4.680 1.00 0.00 C ATOM 4 O MET A 1 6.466 12.930 -4.920 1.00 0.00 O ATOM 5 CB MET A 1 6.216 16.286 -4.488 1.00 0.00 C ATOM 6 CG MET A 1 7.706 16.597 -4.644 1.00 0.00 C ATOM 7 SD MET A 1 8.678 15.167 -4.205 1.00 0.00 S ATOM 8 CE MET A 1 10.290 15.919 -4.062 1.00 0.00 C ATOM 0 H1 MET A 1 4.606 16.419 -6.565 1.00 0.00 H new ATOM 0 H2 MET A 1 4.228 14.770 -6.716 1.00 0.00 H new ATOM 0 H3 MET A 1 3.789 15.617 -5.311 1.00 0.00 H new ATOM 0 HA MET A 1 6.524 15.056 -6.238 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.631 17.185 -4.683 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.009 15.988 -3.460 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.919 16.890 -5.672 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.978 17.440 -4.009 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.023 15.159 -3.791 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.568 16.367 -5.016 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.265 16.690 -3.292 1.00 0.00 H new ATOM 16 N SER A 2 4.723 13.800 -3.772 1.00 0.00 N ATOM 17 CA SER A 2 4.512 12.608 -2.969 1.00 0.00 C ATOM 18 C SER A 2 3.143 12.001 -3.282 1.00 0.00 C ATOM 19 O SER A 2 2.128 12.694 -3.231 1.00 0.00 O ATOM 20 CB SER A 2 4.625 12.922 -1.476 1.00 0.00 C ATOM 21 OG SER A 2 5.734 13.770 -1.191 1.00 0.00 O ATOM 0 H SER A 2 4.079 14.566 -3.575 1.00 0.00 H new ATOM 0 HA SER A 2 5.288 11.885 -3.220 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.706 13.400 -1.136 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.727 11.992 -0.917 1.00 0.00 H new ATOM 0 HG SER A 2 5.770 13.948 -0.228 1.00 0.00 H new ATOM 26 N GLU A 3 3.158 10.715 -3.600 1.00 0.00 N ATOM 27 CA GLU A 3 1.931 10.008 -3.920 1.00 0.00 C ATOM 28 C GLU A 3 2.002 8.565 -3.416 1.00 0.00 C ATOM 29 O GLU A 3 2.984 7.866 -3.660 1.00 0.00 O ATOM 30 CB GLU A 3 1.651 10.051 -5.424 1.00 0.00 C ATOM 31 CG GLU A 3 2.904 9.690 -6.225 1.00 0.00 C ATOM 32 CD GLU A 3 3.235 10.782 -7.245 1.00 0.00 C ATOM 33 OE1 GLU A 3 2.485 11.761 -7.371 1.00 0.00 O ATOM 34 OE2 GLU A 3 4.316 10.585 -7.922 1.00 0.00 O ATOM 0 H GLU A 3 4.002 10.144 -3.643 1.00 0.00 H new ATOM 0 HA GLU A 3 1.104 10.507 -3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.847 9.357 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.309 11.047 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.747 9.553 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.751 8.741 -6.739 1.00 0.00 H new ATOM 40 N VAL A 4 0.947 8.162 -2.722 1.00 0.00 N ATOM 41 CA VAL A 4 0.877 6.815 -2.182 1.00 0.00 C ATOM 42 C VAL A 4 -0.449 6.173 -2.592 1.00 0.00 C ATOM 43 O VAL A 4 -1.516 6.622 -2.172 1.00 0.00 O ATOM 44 CB VAL A 4 1.082 6.849 -0.665 1.00 0.00 C ATOM 45 CG1 VAL A 4 -0.125 6.254 0.063 1.00 0.00 C ATOM 46 CG2 VAL A 4 2.371 6.128 -0.270 1.00 0.00 C ATOM 0 H VAL A 4 0.134 8.745 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 4 1.676 6.197 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 4 1.176 7.892 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.045 6.290 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.018 6.829 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.264 5.219 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.493 6.167 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.320 5.088 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.221 6.614 -0.748 1.00 0.00 H new ATOM 56 N ASN A 5 -0.340 5.135 -3.407 1.00 0.00 N ATOM 57 CA ASN A 5 -1.519 4.428 -3.879 1.00 0.00 C ATOM 58 C ASN A 5 -1.210 2.931 -3.962 1.00 0.00 C ATOM 59 O ASN A 5 -0.273 2.524 -4.646 1.00 0.00 O ATOM 60 CB ASN A 5 -1.926 4.905 -5.275 1.00 0.00 C ATOM 61 CG ASN A 5 -0.695 5.167 -6.145 1.00 0.00 C ATOM 62 OD1 ASN A 5 0.077 4.276 -6.460 1.00 0.00 O ATOM 63 ND2 ASN A 5 -0.556 6.436 -6.516 1.00 0.00 N ATOM 0 H ASN A 5 0.546 4.766 -3.753 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.332 4.624 -3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.558 4.155 -5.750 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.519 5.816 -5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.233 6.713 -7.099 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.239 7.132 -6.217 1.00 0.00 H new ATOM 69 N ILE A 6 -2.018 2.153 -3.257 1.00 0.00 N ATOM 70 CA ILE A 6 -1.843 0.711 -3.243 1.00 0.00 C ATOM 71 C ILE A 6 -3.214 0.036 -3.162 1.00 0.00 C ATOM 72 O ILE A 6 -3.990 0.306 -2.248 1.00 0.00 O ATOM 73 CB ILE A 6 -0.888 0.298 -2.120 1.00 0.00 C ATOM 74 CG1 ILE A 6 -1.654 0.007 -0.828 1.00 0.00 C ATOM 75 CG2 ILE A 6 0.203 1.351 -1.914 1.00 0.00 C ATOM 76 CD1 ILE A 6 -2.181 -1.431 -0.815 1.00 0.00 C ATOM 0 H ILE A 6 -2.795 2.494 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.375 0.375 -4.169 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.392 -0.627 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.001 0.167 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.486 0.704 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.868 1.034 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.775 1.467 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.256 2.304 -1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.722 -1.612 0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.853 -1.580 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.344 -2.126 -0.889 1.00 0.00 H new ATOM 87 N VAL A 7 -3.470 -0.829 -4.133 1.00 0.00 N ATOM 88 CA VAL A 7 -4.733 -1.545 -4.184 1.00 0.00 C ATOM 89 C VAL A 7 -4.475 -3.041 -3.998 1.00 0.00 C ATOM 90 O VAL A 7 -3.583 -3.604 -4.632 1.00 0.00 O ATOM 91 CB VAL A 7 -5.465 -1.222 -5.488 1.00 0.00 C ATOM 92 CG1 VAL A 7 -4.637 -1.647 -6.701 1.00 0.00 C ATOM 93 CG2 VAL A 7 -6.850 -1.871 -5.514 1.00 0.00 C ATOM 0 H VAL A 7 -2.824 -1.050 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.386 -1.225 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.601 -0.142 -5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.180 -1.406 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.684 -1.117 -6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.455 -2.721 -6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.349 -1.626 -6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.747 -2.953 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.443 -1.497 -4.679 1.00 0.00 H new ATOM 103 N VAL A 8 -5.271 -3.643 -3.128 1.00 0.00 N ATOM 104 CA VAL A 8 -5.140 -5.064 -2.850 1.00 0.00 C ATOM 105 C VAL A 8 -6.480 -5.755 -3.107 1.00 0.00 C ATOM 106 O VAL A 8 -7.443 -5.544 -2.370 1.00 0.00 O ATOM 107 CB VAL A 8 -4.621 -5.274 -1.427 1.00 0.00 C ATOM 108 CG1 VAL A 8 -4.457 -6.763 -1.117 1.00 0.00 C ATOM 109 CG2 VAL A 8 -3.309 -4.519 -1.203 1.00 0.00 C ATOM 0 H VAL A 8 -6.010 -3.173 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.407 -5.518 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.362 -4.868 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.087 -6.884 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.421 -7.263 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.747 -7.204 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.963 -4.686 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.557 -4.880 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.471 -3.453 -1.361 1.00 0.00 H new ATOM 119 N ASN A 9 -6.500 -6.567 -4.154 1.00 0.00 N ATOM 120 CA ASN A 9 -7.706 -7.290 -4.517 1.00 0.00 C ATOM 121 C ASN A 9 -7.466 -8.792 -4.348 1.00 0.00 C ATOM 122 O ASN A 9 -6.710 -9.393 -5.110 1.00 0.00 O ATOM 123 CB ASN A 9 -8.085 -7.034 -5.976 1.00 0.00 C ATOM 124 CG ASN A 9 -8.067 -5.537 -6.292 1.00 0.00 C ATOM 125 OD1 ASN A 9 -6.882 -5.080 -6.685 1.00 0.00 O flip ATOM 126 ND2 ASN A 9 -9.065 -4.842 -6.186 1.00 0.00 N flip ATOM 0 H ASN A 9 -5.700 -6.740 -4.762 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.512 -6.945 -3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.390 -7.557 -6.633 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.077 -7.439 -6.174 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.945 -5.256 -5.879 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.019 -3.847 -6.405 1.00 0.00 H new ATOM 132 N GLY A 10 -8.123 -9.356 -3.345 1.00 0.00 N ATOM 133 CA GLY A 10 -7.989 -10.775 -3.066 1.00 0.00 C ATOM 134 C GLY A 10 -6.795 -11.044 -2.148 1.00 0.00 C ATOM 135 O GLY A 10 -5.930 -11.856 -2.471 1.00 0.00 O ATOM 0 H GLY A 10 -8.750 -8.855 -2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.902 -11.145 -2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.864 -11.323 -4.000 1.00 0.00 H new ATOM 139 N ARG A 11 -6.787 -10.347 -1.022 1.00 0.00 N ATOM 140 CA ARG A 11 -5.713 -10.500 -0.055 1.00 0.00 C ATOM 141 C ARG A 11 -4.410 -10.877 -0.763 1.00 0.00 C ATOM 142 O ARG A 11 -3.768 -11.864 -0.407 1.00 0.00 O ATOM 143 CB ARG A 11 -6.052 -11.576 0.979 1.00 0.00 C ATOM 144 CG ARG A 11 -6.109 -12.960 0.331 1.00 0.00 C ATOM 145 CD ARG A 11 -5.399 -14.002 1.198 1.00 0.00 C ATOM 146 NE ARG A 11 -6.267 -15.187 1.379 1.00 0.00 N ATOM 147 CZ ARG A 11 -7.369 -15.207 2.159 1.00 0.00 C ATOM 148 NH1 ARG A 11 -7.747 -14.104 2.838 1.00 0.00 N ATOM 149 NH2 ARG A 11 -8.070 -16.322 2.246 1.00 0.00 N ATOM 0 H ARG A 11 -7.507 -9.675 -0.757 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.590 -9.545 0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.304 -11.572 1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.011 -11.349 1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.148 -13.253 0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.644 -12.924 -0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.460 -14.297 0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.151 -13.572 2.168 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.017 -16.043 0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.199 -13.247 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.581 -14.127 3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.776 -17.151 1.729 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.905 -16.355 2.831 1.00 0.00 H new ATOM 159 N GLU A 12 -4.059 -10.071 -1.755 1.00 0.00 N ATOM 160 CA GLU A 12 -2.844 -10.307 -2.516 1.00 0.00 C ATOM 161 C GLU A 12 -1.638 -9.704 -1.794 1.00 0.00 C ATOM 162 O GLU A 12 -1.628 -8.514 -1.481 1.00 0.00 O ATOM 163 CB GLU A 12 -2.969 -9.747 -3.935 1.00 0.00 C ATOM 164 CG GLU A 12 -3.646 -10.757 -4.864 1.00 0.00 C ATOM 165 CD GLU A 12 -2.902 -12.094 -4.856 1.00 0.00 C ATOM 166 OE1 GLU A 12 -1.667 -12.117 -4.967 1.00 0.00 O ATOM 167 OE2 GLU A 12 -3.652 -13.135 -4.727 1.00 0.00 O ATOM 0 H GLU A 12 -4.595 -9.254 -2.049 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.693 -11.384 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.545 -8.822 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.980 -9.499 -4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.679 -10.910 -4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.676 -10.360 -5.879 1.00 0.00 H new ATOM 173 N ALA A 13 -0.651 -10.552 -1.549 1.00 0.00 N ATOM 174 CA ALA A 13 0.557 -10.118 -0.867 1.00 0.00 C ATOM 175 C ALA A 13 1.761 -10.865 -1.447 1.00 0.00 C ATOM 176 O ALA A 13 1.684 -12.065 -1.706 1.00 0.00 O ATOM 177 CB ALA A 13 0.404 -10.339 0.638 1.00 0.00 C ATOM 0 H ALA A 13 -0.662 -11.538 -1.810 1.00 0.00 H new ATOM 0 HA ALA A 13 0.723 -9.052 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.311 -10.013 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.446 -9.764 1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.238 -11.398 0.835 1.00 0.00 H new ATOM 183 N GLY A 14 2.843 -10.124 -1.633 1.00 0.00 N ATOM 184 CA GLY A 14 4.061 -10.701 -2.176 1.00 0.00 C ATOM 185 C GLY A 14 5.220 -9.705 -2.103 1.00 0.00 C ATOM 186 O GLY A 14 6.074 -9.674 -2.988 1.00 0.00 O ATOM 0 H GLY A 14 2.902 -9.129 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.318 -11.604 -1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.897 -10.998 -3.212 1.00 0.00 H new ATOM 190 N SER A 15 5.213 -8.915 -1.039 1.00 0.00 N ATOM 191 CA SER A 15 6.253 -7.921 -0.838 1.00 0.00 C ATOM 192 C SER A 15 6.911 -8.121 0.528 1.00 0.00 C ATOM 193 O SER A 15 6.536 -9.022 1.276 1.00 0.00 O ATOM 194 CB SER A 15 5.690 -6.503 -0.955 1.00 0.00 C ATOM 195 OG SER A 15 4.441 -6.368 -0.283 1.00 0.00 O ATOM 0 H SER A 15 4.503 -8.943 -0.307 1.00 0.00 H new ATOM 0 HA SER A 15 7.004 -8.049 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.405 -5.794 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.565 -6.248 -2.007 1.00 0.00 H new ATOM 0 HG SER A 15 4.469 -6.864 0.561 1.00 0.00 H new ATOM 200 N LYS A 16 7.880 -7.264 0.813 1.00 0.00 N ATOM 201 CA LYS A 16 8.594 -7.335 2.078 1.00 0.00 C ATOM 202 C LYS A 16 7.703 -6.784 3.193 1.00 0.00 C ATOM 203 O LYS A 16 8.089 -6.792 4.361 1.00 0.00 O ATOM 204 CB LYS A 16 9.949 -6.631 1.968 1.00 0.00 C ATOM 205 CG LYS A 16 11.076 -7.532 2.476 1.00 0.00 C ATOM 206 CD LYS A 16 12.301 -6.705 2.874 1.00 0.00 C ATOM 207 CE LYS A 16 13.273 -6.566 1.700 1.00 0.00 C ATOM 208 NZ LYS A 16 14.320 -5.566 2.011 1.00 0.00 N ATOM 0 H LYS A 16 8.188 -6.517 0.191 1.00 0.00 H new ATOM 0 HA LYS A 16 8.818 -8.371 2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.137 -6.357 0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.930 -5.706 2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.728 -8.108 3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.352 -8.248 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.984 -5.717 3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.807 -7.179 3.715 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.734 -7.530 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.730 -6.266 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.972 -5.483 1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.876 -4.643 2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.849 -5.868 2.854 1.00 0.00 H new ATOM 217 N SER A 17 6.529 -6.317 2.793 1.00 0.00 N ATOM 218 CA SER A 17 5.581 -5.764 3.744 1.00 0.00 C ATOM 219 C SER A 17 5.432 -6.705 4.942 1.00 0.00 C ATOM 220 O SER A 17 5.158 -6.259 6.055 1.00 0.00 O ATOM 221 CB SER A 17 4.220 -5.522 3.087 1.00 0.00 C ATOM 222 OG SER A 17 3.425 -6.704 3.054 1.00 0.00 O ATOM 0 H SER A 17 6.213 -6.311 1.823 1.00 0.00 H new ATOM 0 HA SER A 17 5.964 -4.804 4.090 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.688 -4.742 3.632 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.368 -5.156 2.071 1.00 0.00 H new ATOM 0 HG SER A 17 2.564 -6.507 2.629 1.00 0.00 H new ATOM 227 N LYS A 18 5.619 -7.988 4.673 1.00 0.00 N ATOM 228 CA LYS A 18 5.509 -8.995 5.715 1.00 0.00 C ATOM 229 C LYS A 18 6.483 -8.661 6.846 1.00 0.00 C ATOM 230 O LYS A 18 6.351 -9.173 7.956 1.00 0.00 O ATOM 231 CB LYS A 18 5.701 -10.395 5.129 1.00 0.00 C ATOM 232 CG LYS A 18 4.473 -11.271 5.387 1.00 0.00 C ATOM 233 CD LYS A 18 4.511 -12.536 4.527 1.00 0.00 C ATOM 234 CE LYS A 18 3.222 -12.688 3.718 1.00 0.00 C ATOM 235 NZ LYS A 18 3.473 -12.410 2.286 1.00 0.00 N ATOM 0 H LYS A 18 5.846 -8.354 3.748 1.00 0.00 H new ATOM 0 HA LYS A 18 4.508 -8.990 6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.881 -10.323 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.583 -10.860 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.432 -11.545 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.567 -10.706 5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.366 -12.495 3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.650 -13.409 5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.829 -13.698 3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.463 -12.005 4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.588 -12.518 1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.827 -11.438 2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.181 -13.079 1.921 1.00 0.00 H new ATOM 244 N GLY A 19 7.443 -7.805 6.524 1.00 0.00 N ATOM 245 CA GLY A 19 8.440 -7.397 7.499 1.00 0.00 C ATOM 246 C GLY A 19 8.116 -6.015 8.070 1.00 0.00 C ATOM 247 O GLY A 19 6.996 -5.527 7.924 1.00 0.00 O ATOM 0 H GLY A 19 7.551 -7.383 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.483 -8.127 8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.425 -7.380 7.032 1.00 0.00 H new ATOM 251 N CYS A 20 9.115 -5.424 8.707 1.00 0.00 N ATOM 252 CA CYS A 20 8.951 -4.108 9.300 1.00 0.00 C ATOM 253 C CYS A 20 9.347 -3.058 8.260 1.00 0.00 C ATOM 254 O CYS A 20 9.875 -3.397 7.201 1.00 0.00 O ATOM 255 CB CYS A 20 9.757 -3.964 10.592 1.00 0.00 C ATOM 256 SG CYS A 20 9.731 -5.540 11.524 1.00 0.00 S ATOM 0 H CYS A 20 10.042 -5.832 8.826 1.00 0.00 H new ATOM 0 HA CYS A 20 7.908 -3.962 9.582 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.785 -3.686 10.360 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.340 -3.163 11.203 1.00 0.00 H new ATOM 0 HG CYS A 20 8.500 -5.908 11.720 1.00 0.00 H new ATOM 261 N ALA A 21 9.081 -1.806 8.597 1.00 0.00 N ATOM 262 CA ALA A 21 9.404 -0.705 7.706 1.00 0.00 C ATOM 263 C ALA A 21 10.925 -0.564 7.608 1.00 0.00 C ATOM 264 O ALA A 21 11.465 -0.379 6.519 1.00 0.00 O ATOM 265 CB ALA A 21 8.731 0.574 8.209 1.00 0.00 C ATOM 0 H ALA A 21 8.645 -1.529 9.476 1.00 0.00 H new ATOM 0 HA ALA A 21 9.025 -0.899 6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.974 1.400 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.651 0.432 8.233 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.089 0.803 9.213 1.00 0.00 H new ATOM 271 N LEU A 22 11.572 -0.656 8.761 1.00 0.00 N ATOM 272 CA LEU A 22 13.018 -0.541 8.818 1.00 0.00 C ATOM 273 C LEU A 22 13.650 -1.777 8.176 1.00 0.00 C ATOM 274 O LEU A 22 14.390 -1.664 7.199 1.00 0.00 O ATOM 275 CB LEU A 22 13.479 -0.292 10.256 1.00 0.00 C ATOM 276 CG LEU A 22 13.858 1.150 10.599 1.00 0.00 C ATOM 277 CD1 LEU A 22 12.656 2.084 10.441 1.00 0.00 C ATOM 278 CD2 LEU A 22 14.474 1.239 11.997 1.00 0.00 C ATOM 0 H LEU A 22 11.120 -0.809 9.663 1.00 0.00 H new ATOM 0 HA LEU A 22 13.354 0.323 8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.684 -0.608 10.931 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.340 -0.930 10.456 1.00 0.00 H new ATOM 0 HG LEU A 22 14.619 1.481 9.892 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.952 3.103 10.691 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.303 2.051 9.410 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.856 1.764 11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 22 14.734 2.275 12.215 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.755 0.882 12.735 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.372 0.623 12.039 1.00 0.00 H new ATOM 289 N CYS A 23 13.335 -2.930 8.749 1.00 0.00 N ATOM 290 CA CYS A 23 13.863 -4.186 8.244 1.00 0.00 C ATOM 291 C CYS A 23 12.716 -5.197 8.181 1.00 0.00 C ATOM 292 O CYS A 23 11.716 -5.053 8.883 1.00 0.00 O ATOM 293 CB CYS A 23 15.026 -4.695 9.098 1.00 0.00 C ATOM 294 SG CYS A 23 16.501 -3.644 8.837 1.00 0.00 S ATOM 0 H CYS A 23 12.721 -3.020 9.558 1.00 0.00 H new ATOM 0 HA CYS A 23 14.271 -4.037 7.244 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.745 -4.687 10.151 1.00 0.00 H new ATOM 0 HB3 CYS A 23 15.255 -5.728 8.837 1.00 0.00 H new ATOM 0 HG CYS A 23 16.192 -2.648 8.061 1.00 0.00 H new ATOM 299 N GLY A 24 12.899 -6.199 7.333 1.00 0.00 N ATOM 300 CA GLY A 24 11.893 -7.233 7.168 1.00 0.00 C ATOM 301 C GLY A 24 12.514 -8.626 7.293 1.00 0.00 C ATOM 302 O GLY A 24 12.857 -9.249 6.289 1.00 0.00 O ATOM 0 H GLY A 24 13.730 -6.316 6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.113 -7.110 7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.416 -7.129 6.193 1.00 0.00 H new ATOM 306 N ALA A 25 12.639 -9.074 8.533 1.00 0.00 N ATOM 307 CA ALA A 25 13.212 -10.383 8.802 1.00 0.00 C ATOM 308 C ALA A 25 12.114 -11.322 9.303 1.00 0.00 C ATOM 309 O ALA A 25 12.252 -12.542 9.223 1.00 0.00 O ATOM 310 CB ALA A 25 14.361 -10.240 9.802 1.00 0.00 C ATOM 0 H ALA A 25 12.354 -8.555 9.363 1.00 0.00 H new ATOM 0 HA ALA A 25 13.625 -10.817 7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.791 -11.221 10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.127 -9.587 9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.984 -9.811 10.730 1.00 0.00 H new ATOM 316 N THR A 26 11.049 -10.719 9.809 1.00 0.00 N ATOM 317 CA THR A 26 9.928 -11.487 10.324 1.00 0.00 C ATOM 318 C THR A 26 8.877 -11.694 9.231 1.00 0.00 C ATOM 319 O THR A 26 8.948 -11.074 8.171 1.00 0.00 O ATOM 320 CB THR A 26 9.385 -10.763 11.559 1.00 0.00 C ATOM 321 OG1 THR A 26 10.474 -10.783 12.478 1.00 0.00 O ATOM 322 CG2 THR A 26 8.285 -11.556 12.266 1.00 0.00 C ATOM 0 H THR A 26 10.938 -9.707 9.874 1.00 0.00 H new ATOM 0 HA THR A 26 10.240 -12.487 10.626 1.00 0.00 H new ATOM 0 HB THR A 26 8.997 -9.787 11.267 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.210 -10.333 13.307 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.935 -10.998 13.135 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.454 -11.717 11.579 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.681 -12.519 12.589 1.00 0.00 H new ATOM 330 N TRP A 27 7.926 -12.569 9.527 1.00 0.00 N ATOM 331 CA TRP A 27 6.862 -12.866 8.583 1.00 0.00 C ATOM 332 C TRP A 27 5.588 -13.150 9.382 1.00 0.00 C ATOM 333 O TRP A 27 5.513 -14.142 10.104 1.00 0.00 O ATOM 334 CB TRP A 27 7.256 -14.017 7.657 1.00 0.00 C ATOM 335 CG TRP A 27 6.090 -14.920 7.254 1.00 0.00 C ATOM 336 CD1 TRP A 27 4.792 -14.599 7.163 1.00 0.00 C ATOM 337 CD2 TRP A 27 6.167 -16.315 6.890 1.00 0.00 C ATOM 338 NE1 TRP A 27 4.030 -15.681 6.768 1.00 0.00 N ATOM 339 CE2 TRP A 27 4.893 -16.756 6.596 1.00 0.00 C ATOM 340 CE3 TRP A 27 7.277 -17.173 6.810 1.00 0.00 C ATOM 341 CZ2 TRP A 27 4.609 -18.070 6.204 1.00 0.00 C ATOM 342 CZ3 TRP A 27 6.976 -18.483 6.417 1.00 0.00 C ATOM 343 CH2 TRP A 27 5.700 -18.944 6.118 1.00 0.00 C ATOM 0 H TRP A 27 7.871 -13.081 10.407 1.00 0.00 H new ATOM 0 HA TRP A 27 6.679 -12.015 7.927 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.711 -13.605 6.756 1.00 0.00 H new ATOM 0 HB3 TRP A 27 8.017 -14.622 8.150 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.392 -13.618 7.372 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.020 -15.689 6.628 1.00 0.00 H new ATOM 0 HE3 TRP A 27 8.282 -16.848 7.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.603 -18.392 5.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.794 -19.185 6.341 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.550 -19.971 5.821 1.00 0.00 H new ATOM 353 N GLY A 28 4.618 -12.263 9.223 1.00 0.00 N ATOM 354 CA GLY A 28 3.351 -12.405 9.919 1.00 0.00 C ATOM 355 C GLY A 28 2.174 -12.252 8.954 1.00 0.00 C ATOM 356 O GLY A 28 2.051 -11.232 8.277 1.00 0.00 O ATOM 0 H GLY A 28 4.684 -11.442 8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.305 -13.381 10.402 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.279 -11.656 10.707 1.00 0.00 H new ATOM 360 N ASP A 29 1.338 -13.279 8.922 1.00 0.00 N ATOM 361 CA ASP A 29 0.175 -13.272 8.050 1.00 0.00 C ATOM 362 C ASP A 29 -1.057 -12.852 8.855 1.00 0.00 C ATOM 363 O ASP A 29 -1.940 -12.173 8.336 1.00 0.00 O ATOM 364 CB ASP A 29 -0.089 -14.662 7.471 1.00 0.00 C ATOM 365 CG ASP A 29 -0.473 -15.729 8.499 1.00 0.00 C ATOM 366 OD1 ASP A 29 0.249 -15.959 9.480 1.00 0.00 O ATOM 367 OD2 ASP A 29 -1.581 -16.344 8.258 1.00 0.00 O ATOM 0 H ASP A 29 1.443 -14.122 9.486 1.00 0.00 H new ATOM 0 HA ASP A 29 0.369 -12.574 7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.888 -14.586 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.804 -14.994 6.941 1.00 0.00 H new ATOM 372 N TYR A 30 -1.076 -13.275 10.111 1.00 0.00 N ATOM 373 CA TYR A 30 -2.185 -12.953 10.992 1.00 0.00 C ATOM 374 C TYR A 30 -2.130 -11.487 11.429 1.00 0.00 C ATOM 375 O TYR A 30 -3.000 -11.021 12.163 1.00 0.00 O ATOM 376 CB TYR A 30 -2.018 -13.846 12.224 1.00 0.00 C ATOM 377 CG TYR A 30 -3.299 -14.564 12.650 1.00 0.00 C ATOM 378 CD1 TYR A 30 -4.001 -15.322 11.735 1.00 0.00 C ATOM 379 CD2 TYR A 30 -3.753 -14.454 13.948 1.00 0.00 C ATOM 380 CE1 TYR A 30 -5.208 -15.998 12.136 1.00 0.00 C ATOM 381 CE2 TYR A 30 -4.959 -15.131 14.349 1.00 0.00 C ATOM 382 CZ TYR A 30 -5.627 -15.870 13.424 1.00 0.00 C ATOM 383 OH TYR A 30 -6.767 -16.509 13.802 1.00 0.00 O ATOM 0 H TYR A 30 -0.341 -13.838 10.539 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.137 -13.113 10.485 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.248 -14.590 12.019 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.661 -13.238 13.055 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.646 -15.408 10.719 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.204 -13.860 14.664 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.768 -16.593 11.430 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.325 -15.053 15.362 1.00 0.00 H new ATOM 0 HH TYR A 30 -6.944 -16.329 14.749 1.00 0.00 H new ATOM 392 N HIS A 31 -1.099 -10.800 10.958 1.00 0.00 N ATOM 393 CA HIS A 31 -0.920 -9.397 11.290 1.00 0.00 C ATOM 394 C HIS A 31 -1.633 -8.529 10.251 1.00 0.00 C ATOM 395 O HIS A 31 -2.118 -9.036 9.241 1.00 0.00 O ATOM 396 CB HIS A 31 0.566 -9.057 11.427 1.00 0.00 C ATOM 397 CG HIS A 31 1.302 -9.915 12.428 1.00 0.00 C ATOM 398 ND1 HIS A 31 2.664 -10.151 12.356 1.00 0.00 N ATOM 399 CD2 HIS A 31 0.853 -10.590 13.525 1.00 0.00 C ATOM 400 CE1 HIS A 31 3.008 -10.934 13.368 1.00 0.00 C ATOM 401 NE2 HIS A 31 1.883 -11.205 14.091 1.00 0.00 N ATOM 0 H HIS A 31 -0.379 -11.189 10.349 1.00 0.00 H new ATOM 0 HA HIS A 31 -1.372 -9.188 12.259 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.044 -9.162 10.453 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.664 -8.011 11.719 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.169 -10.619 13.874 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.003 -11.294 13.583 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.841 -11.785 14.929 1.00 0.00 H new ATOM 408 N ALA A 32 -1.674 -7.235 10.536 1.00 0.00 N ATOM 409 CA ALA A 32 -2.319 -6.292 9.639 1.00 0.00 C ATOM 410 C ALA A 32 -1.267 -5.665 8.723 1.00 0.00 C ATOM 411 O ALA A 32 -0.108 -5.524 9.108 1.00 0.00 O ATOM 412 CB ALA A 32 -3.077 -5.246 10.459 1.00 0.00 C ATOM 0 H ALA A 32 -1.271 -6.818 11.375 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.046 -6.800 9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.561 -4.538 9.787 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.832 -5.740 11.071 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.378 -4.714 11.105 1.00 0.00 H new ATOM 418 N ASP A 33 -1.710 -5.304 7.526 1.00 0.00 N ATOM 419 CA ASP A 33 -0.821 -4.695 6.553 1.00 0.00 C ATOM 420 C ASP A 33 -1.064 -3.184 6.521 1.00 0.00 C ATOM 421 O ASP A 33 -2.098 -2.708 6.988 1.00 0.00 O ATOM 422 CB ASP A 33 -1.082 -5.245 5.149 1.00 0.00 C ATOM 423 CG ASP A 33 -1.112 -6.771 5.048 1.00 0.00 C ATOM 424 OD1 ASP A 33 -1.399 -7.471 6.031 1.00 0.00 O ATOM 425 OD2 ASP A 33 -0.820 -7.246 3.884 1.00 0.00 O ATOM 0 H ASP A 33 -2.672 -5.422 7.210 1.00 0.00 H new ATOM 0 HA ASP A 33 0.204 -4.922 6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.035 -4.854 4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.311 -4.866 4.478 1.00 0.00 H new ATOM 430 N PHE A 34 -0.094 -2.472 5.965 1.00 0.00 N ATOM 431 CA PHE A 34 -0.190 -1.026 5.867 1.00 0.00 C ATOM 432 C PHE A 34 -0.055 -0.565 4.414 1.00 0.00 C ATOM 433 O PHE A 34 0.658 -1.186 3.626 1.00 0.00 O ATOM 434 CB PHE A 34 0.964 -0.445 6.684 1.00 0.00 C ATOM 435 CG PHE A 34 0.589 0.796 7.497 1.00 0.00 C ATOM 436 CD1 PHE A 34 -0.183 0.671 8.610 1.00 0.00 C ATOM 437 CD2 PHE A 34 1.027 2.022 7.108 1.00 0.00 C ATOM 438 CE1 PHE A 34 -0.531 1.822 9.366 1.00 0.00 C ATOM 439 CE2 PHE A 34 0.678 3.174 7.863 1.00 0.00 C ATOM 440 CZ PHE A 34 -0.094 3.049 8.976 1.00 0.00 C ATOM 0 H PHE A 34 0.762 -2.870 5.578 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.159 -0.691 6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.337 -1.212 7.363 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.782 -0.191 6.009 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.531 -0.304 8.919 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.641 2.121 6.225 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.143 1.723 10.251 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.026 4.149 7.553 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.360 3.924 9.550 1.00 0.00 H new ATOM 449 N LEU A 35 -0.750 0.519 4.103 1.00 0.00 N ATOM 450 CA LEU A 35 -0.716 1.070 2.759 1.00 0.00 C ATOM 451 C LEU A 35 0.740 1.226 2.313 1.00 0.00 C ATOM 452 O LEU A 35 1.029 1.238 1.117 1.00 0.00 O ATOM 453 CB LEU A 35 -1.521 2.369 2.692 1.00 0.00 C ATOM 454 CG LEU A 35 -2.601 2.433 1.609 1.00 0.00 C ATOM 455 CD1 LEU A 35 -3.731 3.380 2.018 1.00 0.00 C ATOM 456 CD2 LEU A 35 -1.997 2.812 0.255 1.00 0.00 C ATOM 0 H LEU A 35 -1.340 1.031 4.759 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.195 0.388 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.995 2.530 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.828 3.195 2.535 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.037 1.440 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.485 3.408 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.185 3.026 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.329 4.382 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.785 2.851 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.519 3.789 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.256 2.067 -0.034 1.00 0.00 H new ATOM 467 N GLY A 36 1.618 1.342 3.298 1.00 0.00 N ATOM 468 CA GLY A 36 3.036 1.497 3.022 1.00 0.00 C ATOM 469 C GLY A 36 3.725 0.135 2.912 1.00 0.00 C ATOM 470 O GLY A 36 4.869 -0.022 3.336 1.00 0.00 O ATOM 0 H GLY A 36 1.375 1.332 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.171 2.053 2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.503 2.082 3.815 1.00 0.00 H new ATOM 474 N GLU A 37 3.000 -0.815 2.340 1.00 0.00 N ATOM 475 CA GLU A 37 3.527 -2.158 2.168 1.00 0.00 C ATOM 476 C GLU A 37 4.459 -2.514 3.327 1.00 0.00 C ATOM 477 O GLU A 37 5.624 -2.845 3.112 1.00 0.00 O ATOM 478 CB GLU A 37 4.244 -2.298 0.824 1.00 0.00 C ATOM 479 CG GLU A 37 4.890 -0.975 0.407 1.00 0.00 C ATOM 480 CD GLU A 37 3.858 -0.034 -0.220 1.00 0.00 C ATOM 481 OE1 GLU A 37 3.747 1.129 0.194 1.00 0.00 O ATOM 482 OE2 GLU A 37 3.155 -0.552 -1.171 1.00 0.00 O ATOM 0 H GLU A 37 2.051 -0.681 1.990 1.00 0.00 H new ATOM 0 HA GLU A 37 2.692 -2.858 2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.007 -3.073 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.534 -2.617 0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.342 -0.497 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.693 -1.167 -0.305 1.00 0.00 H new ATOM 488 N ASP A 38 3.912 -2.435 4.531 1.00 0.00 N ATOM 489 CA ASP A 38 4.680 -2.745 5.725 1.00 0.00 C ATOM 490 C ASP A 38 3.743 -3.296 6.801 1.00 0.00 C ATOM 491 O ASP A 38 2.537 -3.062 6.757 1.00 0.00 O ATOM 492 CB ASP A 38 5.358 -1.493 6.284 1.00 0.00 C ATOM 493 CG ASP A 38 6.595 -1.757 7.145 1.00 0.00 C ATOM 494 OD1 ASP A 38 6.682 -1.302 8.295 1.00 0.00 O ATOM 495 OD2 ASP A 38 7.508 -2.474 6.583 1.00 0.00 O ATOM 0 H ASP A 38 2.945 -2.161 4.706 1.00 0.00 H new ATOM 0 HA ASP A 38 5.441 -3.477 5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.644 -0.851 5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.631 -0.939 6.879 1.00 0.00 H new ATOM 500 N LEU A 39 4.334 -4.017 7.742 1.00 0.00 N ATOM 501 CA LEU A 39 3.566 -4.603 8.828 1.00 0.00 C ATOM 502 C LEU A 39 3.891 -3.869 10.131 1.00 0.00 C ATOM 503 O LEU A 39 5.035 -3.879 10.584 1.00 0.00 O ATOM 504 CB LEU A 39 3.803 -6.114 8.898 1.00 0.00 C ATOM 505 CG LEU A 39 2.576 -6.996 8.660 1.00 0.00 C ATOM 506 CD1 LEU A 39 2.094 -6.886 7.212 1.00 0.00 C ATOM 507 CD2 LEU A 39 2.857 -8.446 9.062 1.00 0.00 C ATOM 0 H LEU A 39 5.335 -4.209 7.775 1.00 0.00 H new ATOM 0 HA LEU A 39 2.498 -4.479 8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.563 -6.377 8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.213 -6.353 9.879 1.00 0.00 H new ATOM 0 HG LEU A 39 1.768 -6.636 9.297 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.221 -7.523 7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.828 -5.852 6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.889 -7.205 6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.969 -9.052 8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.686 -8.834 8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.117 -8.487 10.120 1.00 0.00 H new ATOM 518 N PHE A 40 2.865 -3.251 10.696 1.00 0.00 N ATOM 519 CA PHE A 40 3.027 -2.514 11.938 1.00 0.00 C ATOM 520 C PHE A 40 2.438 -3.289 13.117 1.00 0.00 C ATOM 521 O PHE A 40 2.414 -2.793 14.242 1.00 0.00 O ATOM 522 CB PHE A 40 2.268 -1.196 11.777 1.00 0.00 C ATOM 523 CG PHE A 40 0.994 -1.106 12.621 1.00 0.00 C ATOM 524 CD1 PHE A 40 1.055 -0.638 13.897 1.00 0.00 C ATOM 525 CD2 PHE A 40 -0.199 -1.492 12.096 1.00 0.00 C ATOM 526 CE1 PHE A 40 -0.126 -0.555 14.681 1.00 0.00 C ATOM 527 CE2 PHE A 40 -1.381 -1.408 12.879 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.319 -0.941 14.155 1.00 0.00 C ATOM 0 H PHE A 40 1.918 -3.245 10.317 1.00 0.00 H new ATOM 0 HA PHE A 40 4.086 -2.352 12.139 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.929 -0.372 12.046 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.006 -1.065 10.727 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.002 -0.329 14.314 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.248 -1.863 11.083 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.077 -0.185 15.695 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.329 -1.715 12.461 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.218 -0.877 14.751 1.00 0.00 H new ATOM 537 N PHE A 41 1.975 -4.494 12.820 1.00 0.00 N ATOM 538 CA PHE A 41 1.386 -5.344 13.841 1.00 0.00 C ATOM 539 C PHE A 41 2.292 -6.537 14.152 1.00 0.00 C ATOM 540 O PHE A 41 1.961 -7.370 14.994 1.00 0.00 O ATOM 541 CB PHE A 41 0.057 -5.858 13.285 1.00 0.00 C ATOM 542 CG PHE A 41 -1.172 -5.351 14.041 1.00 0.00 C ATOM 543 CD1 PHE A 41 -1.578 -5.978 15.178 1.00 0.00 C ATOM 544 CD2 PHE A 41 -1.860 -4.273 13.578 1.00 0.00 C ATOM 545 CE1 PHE A 41 -2.719 -5.508 15.881 1.00 0.00 C ATOM 546 CE2 PHE A 41 -3.001 -3.803 14.280 1.00 0.00 C ATOM 547 CZ PHE A 41 -3.406 -4.430 15.416 1.00 0.00 C ATOM 0 H PHE A 41 1.996 -4.903 11.886 1.00 0.00 H new ATOM 0 HA PHE A 41 1.249 -4.777 14.762 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.026 -5.563 12.239 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.062 -6.948 13.310 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.032 -6.834 15.546 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.538 -3.774 12.676 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.041 -6.006 16.784 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.547 -2.947 13.911 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.274 -4.072 15.950 1.00 0.00 H new ATOM 556 N CYS A 42 3.417 -6.583 13.453 1.00 0.00 N ATOM 557 CA CYS A 42 4.372 -7.660 13.642 1.00 0.00 C ATOM 558 C CYS A 42 5.181 -7.368 14.907 1.00 0.00 C ATOM 559 O CYS A 42 5.194 -8.170 15.840 1.00 0.00 O ATOM 560 CB CYS A 42 5.272 -7.841 12.418 1.00 0.00 C ATOM 561 SG CYS A 42 5.884 -6.213 11.847 1.00 0.00 S ATOM 0 H CYS A 42 3.688 -5.891 12.755 1.00 0.00 H new ATOM 0 HA CYS A 42 3.840 -8.604 13.762 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.113 -8.488 12.667 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.718 -8.332 11.618 1.00 0.00 H new ATOM 0 HG CYS A 42 4.881 -5.486 11.454 1.00 0.00 H new ATOM 566 N CYS A 43 5.838 -6.217 14.899 1.00 0.00 N ATOM 567 CA CYS A 43 6.648 -5.809 16.034 1.00 0.00 C ATOM 568 C CYS A 43 5.954 -4.630 16.720 1.00 0.00 C ATOM 569 O CYS A 43 5.842 -4.599 17.944 1.00 0.00 O ATOM 570 CB CYS A 43 8.078 -5.463 15.613 1.00 0.00 C ATOM 571 SG CYS A 43 8.074 -3.981 14.540 1.00 0.00 S ATOM 0 H CYS A 43 5.826 -5.554 14.124 1.00 0.00 H new ATOM 0 HA CYS A 43 6.737 -6.637 16.737 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.692 -5.281 16.495 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.523 -6.305 15.083 1.00 0.00 H new ATOM 0 HG CYS A 43 8.598 -4.278 13.388 1.00 0.00 H new ATOM 576 N ASP A 44 5.506 -3.690 15.901 1.00 0.00 N ATOM 577 CA ASP A 44 4.826 -2.513 16.413 1.00 0.00 C ATOM 578 C ASP A 44 5.761 -1.761 17.363 1.00 0.00 C ATOM 579 O ASP A 44 5.319 -0.904 18.126 1.00 0.00 O ATOM 580 CB ASP A 44 3.569 -2.899 17.195 1.00 0.00 C ATOM 581 CG ASP A 44 2.864 -1.739 17.900 1.00 0.00 C ATOM 582 OD1 ASP A 44 2.973 -1.574 19.124 1.00 0.00 O ATOM 583 OD2 ASP A 44 2.167 -0.975 17.128 1.00 0.00 O ATOM 0 H ASP A 44 5.601 -3.720 14.886 1.00 0.00 H new ATOM 0 HA ASP A 44 4.545 -1.890 15.563 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.864 -3.371 16.510 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.839 -3.647 17.940 1.00 0.00 H new ATOM 588 N ILE A 45 7.037 -2.112 17.285 1.00 0.00 N ATOM 589 CA ILE A 45 8.039 -1.482 18.129 1.00 0.00 C ATOM 590 C ILE A 45 8.844 -0.482 17.297 1.00 0.00 C ATOM 591 O ILE A 45 8.820 0.718 17.567 1.00 0.00 O ATOM 592 CB ILE A 45 8.899 -2.540 18.821 1.00 0.00 C ATOM 593 CG1 ILE A 45 8.416 -2.792 20.250 1.00 0.00 C ATOM 594 CG2 ILE A 45 10.381 -2.159 18.775 1.00 0.00 C ATOM 595 CD1 ILE A 45 7.336 -3.874 20.283 1.00 0.00 C ATOM 0 H ILE A 45 7.400 -2.824 16.651 1.00 0.00 H new ATOM 0 HA ILE A 45 7.562 -0.919 18.931 1.00 0.00 H new ATOM 0 HB ILE A 45 8.791 -3.477 18.275 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.257 -3.094 20.874 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.022 -1.868 20.672 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.970 -2.928 19.274 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.702 -2.072 17.737 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.527 -1.205 19.281 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.011 -4.033 21.311 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.486 -3.558 19.678 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.740 -4.804 19.883 1.00 0.00 H new ATOM 606 N CYS A 46 9.538 -1.013 16.302 1.00 0.00 N ATOM 607 CA CYS A 46 10.350 -0.183 15.428 1.00 0.00 C ATOM 608 C CYS A 46 9.548 0.105 14.157 1.00 0.00 C ATOM 609 O CYS A 46 9.945 0.937 13.343 1.00 0.00 O ATOM 610 CB CYS A 46 11.697 -0.836 15.117 1.00 0.00 C ATOM 611 SG CYS A 46 11.449 -2.319 14.073 1.00 0.00 S ATOM 0 H CYS A 46 9.555 -2.009 16.081 1.00 0.00 H new ATOM 0 HA CYS A 46 10.584 0.756 15.930 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.345 -0.125 14.605 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.198 -1.114 16.044 1.00 0.00 H new ATOM 0 HG CYS A 46 10.279 -2.831 14.318 1.00 0.00 H new ATOM 616 N ALA A 47 8.435 -0.602 14.026 1.00 0.00 N ATOM 617 CA ALA A 47 7.574 -0.433 12.868 1.00 0.00 C ATOM 618 C ALA A 47 6.394 0.466 13.241 1.00 0.00 C ATOM 619 O ALA A 47 6.189 0.772 14.415 1.00 0.00 O ATOM 620 CB ALA A 47 7.124 -1.805 12.362 1.00 0.00 C ATOM 0 H ALA A 47 8.110 -1.293 14.702 1.00 0.00 H new ATOM 0 HA ALA A 47 8.115 0.053 12.056 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.478 -1.678 11.493 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.997 -2.394 12.082 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.576 -2.321 13.150 1.00 0.00 H new ATOM 626 N ALA A 48 5.648 0.865 12.221 1.00 0.00 N ATOM 627 CA ALA A 48 4.495 1.723 12.427 1.00 0.00 C ATOM 628 C ALA A 48 4.963 3.170 12.590 1.00 0.00 C ATOM 629 O ALA A 48 4.797 3.765 13.654 1.00 0.00 O ATOM 630 CB ALA A 48 3.700 1.229 13.637 1.00 0.00 C ATOM 0 H ALA A 48 5.821 0.609 11.249 1.00 0.00 H new ATOM 0 HA ALA A 48 3.831 1.686 11.563 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.835 1.873 13.791 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.365 0.207 13.459 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.334 1.254 14.524 1.00 0.00 H new ATOM 636 N GLU A 49 5.540 3.697 11.520 1.00 0.00 N ATOM 637 CA GLU A 49 6.034 5.062 11.530 1.00 0.00 C ATOM 638 C GLU A 49 4.900 6.040 11.217 1.00 0.00 C ATOM 639 O GLU A 49 3.958 5.695 10.505 1.00 0.00 O ATOM 640 CB GLU A 49 7.194 5.234 10.547 1.00 0.00 C ATOM 641 CG GLU A 49 8.442 4.497 11.036 1.00 0.00 C ATOM 642 CD GLU A 49 9.710 5.110 10.440 1.00 0.00 C ATOM 643 OE1 GLU A 49 10.363 4.482 9.593 1.00 0.00 O ATOM 644 OE2 GLU A 49 10.011 6.282 10.885 1.00 0.00 O ATOM 0 H GLU A 49 5.676 3.201 10.639 1.00 0.00 H new ATOM 0 HA GLU A 49 6.412 5.282 12.528 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.904 4.855 9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.418 6.294 10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.490 4.539 12.124 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.378 3.444 10.760 1.00 0.00 H new ATOM 650 N PHE A 50 5.027 7.241 11.763 1.00 0.00 N ATOM 651 CA PHE A 50 4.024 8.270 11.550 1.00 0.00 C ATOM 652 C PHE A 50 4.138 8.863 10.145 1.00 0.00 C ATOM 653 O PHE A 50 3.378 9.761 9.782 1.00 0.00 O ATOM 654 CB PHE A 50 4.290 9.372 12.578 1.00 0.00 C ATOM 655 CG PHE A 50 3.128 9.612 13.545 1.00 0.00 C ATOM 656 CD1 PHE A 50 2.854 8.702 14.517 1.00 0.00 C ATOM 657 CD2 PHE A 50 2.372 10.737 13.433 1.00 0.00 C ATOM 658 CE1 PHE A 50 1.776 8.925 15.415 1.00 0.00 C ATOM 659 CE2 PHE A 50 1.294 10.960 14.331 1.00 0.00 C ATOM 660 CZ PHE A 50 1.020 10.050 15.303 1.00 0.00 C ATOM 0 H PHE A 50 5.810 7.524 12.353 1.00 0.00 H new ATOM 0 HA PHE A 50 3.026 7.845 11.657 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.180 9.113 13.152 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.510 10.301 12.052 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.456 7.810 14.607 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.591 11.461 12.662 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.557 8.201 16.186 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.692 11.852 14.241 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.202 10.220 15.987 1.00 0.00 H new ATOM 669 N MET A 51 5.091 8.337 9.389 1.00 0.00 N ATOM 670 CA MET A 51 5.313 8.804 8.031 1.00 0.00 C ATOM 671 C MET A 51 4.013 8.786 7.225 1.00 0.00 C ATOM 672 O MET A 51 3.790 9.650 6.380 1.00 0.00 O ATOM 673 CB MET A 51 6.349 7.909 7.348 1.00 0.00 C ATOM 674 CG MET A 51 7.743 8.133 7.940 1.00 0.00 C ATOM 675 SD MET A 51 8.976 8.028 6.655 1.00 0.00 S ATOM 676 CE MET A 51 9.075 9.745 6.178 1.00 0.00 C ATOM 0 H MET A 51 5.718 7.592 9.691 1.00 0.00 H new ATOM 0 HA MET A 51 5.677 9.831 8.074 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.064 6.863 7.464 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.366 8.118 6.278 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.790 9.110 8.421 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.944 7.388 8.710 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.076 9.962 5.804 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.343 9.948 5.396 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.867 10.375 7.042 1.00 0.00 H new ATOM 684 N ASN A 52 3.187 7.792 7.518 1.00 0.00 N ATOM 685 CA ASN A 52 1.914 7.649 6.831 1.00 0.00 C ATOM 686 C ASN A 52 0.781 8.046 7.779 1.00 0.00 C ATOM 687 O ASN A 52 1.030 8.457 8.913 1.00 0.00 O ATOM 688 CB ASN A 52 1.681 6.202 6.397 1.00 0.00 C ATOM 689 CG ASN A 52 1.883 6.042 4.888 1.00 0.00 C ATOM 690 OD1 ASN A 52 1.034 6.751 4.151 1.00 0.00 O flip ATOM 691 ND2 ASN A 52 2.753 5.323 4.425 1.00 0.00 N flip ATOM 0 H ASN A 52 3.374 7.078 8.222 1.00 0.00 H new ATOM 0 HA ASN A 52 1.933 8.291 5.950 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.366 5.544 6.931 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.670 5.896 6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.372 4.805 5.049 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.861 5.240 3.414 1.00 0.00 H new ATOM 697 N MET A 53 -0.439 7.911 7.281 1.00 0.00 N ATOM 698 CA MET A 53 -1.611 8.251 8.070 1.00 0.00 C ATOM 699 C MET A 53 -2.263 6.996 8.653 1.00 0.00 C ATOM 700 O MET A 53 -1.902 5.878 8.287 1.00 0.00 O ATOM 701 CB MET A 53 -2.623 8.989 7.191 1.00 0.00 C ATOM 702 CG MET A 53 -3.589 9.816 8.042 1.00 0.00 C ATOM 703 SD MET A 53 -3.891 11.394 7.263 1.00 0.00 S ATOM 704 CE MET A 53 -2.364 12.231 7.655 1.00 0.00 C ATOM 0 H MET A 53 -0.642 7.571 6.341 1.00 0.00 H new ATOM 0 HA MET A 53 -1.296 8.891 8.894 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.097 9.641 6.494 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.183 8.270 6.593 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.528 9.278 8.168 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.172 9.967 9.038 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.585 13.185 8.133 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.774 11.614 8.332 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.799 12.406 6.739 1.00 0.00 H new ATOM 712 N MET A 54 -3.211 7.222 9.551 1.00 0.00 N ATOM 713 CA MET A 54 -3.915 6.123 10.188 1.00 0.00 C ATOM 714 C MET A 54 -4.741 5.335 9.168 1.00 0.00 C ATOM 715 O MET A 54 -4.748 4.106 9.187 1.00 0.00 O ATOM 716 CB MET A 54 -4.839 6.672 11.278 1.00 0.00 C ATOM 717 CG MET A 54 -4.333 6.287 12.669 1.00 0.00 C ATOM 718 SD MET A 54 -2.690 6.935 12.923 1.00 0.00 S ATOM 719 CE MET A 54 -3.053 8.682 12.993 1.00 0.00 C ATOM 0 H MET A 54 -3.508 8.150 9.852 1.00 0.00 H new ATOM 0 HA MET A 54 -3.178 5.451 10.628 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.899 7.757 11.196 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.848 6.285 11.134 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.008 6.677 13.431 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.325 5.202 12.775 1.00 0.00 H new ATOM 0 HE1 MET A 54 -2.242 9.202 13.504 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.154 9.073 11.981 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.984 8.839 13.537 1.00 0.00 H new ATOM 727 N ASP A 55 -5.416 6.077 8.301 1.00 0.00 N ATOM 728 CA ASP A 55 -6.242 5.464 7.276 1.00 0.00 C ATOM 729 C ASP A 55 -5.471 4.313 6.628 1.00 0.00 C ATOM 730 O ASP A 55 -6.043 3.262 6.341 1.00 0.00 O ATOM 731 CB ASP A 55 -6.598 6.471 6.181 1.00 0.00 C ATOM 732 CG ASP A 55 -7.501 7.622 6.629 1.00 0.00 C ATOM 733 OD1 ASP A 55 -7.646 7.889 7.831 1.00 0.00 O ATOM 734 OD2 ASP A 55 -8.080 8.265 5.672 1.00 0.00 O ATOM 0 H ASP A 55 -5.407 7.097 8.288 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.157 5.107 7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.675 6.889 5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.089 5.940 5.366 1.00 0.00 H new ATOM 739 N GLU A 56 -4.185 4.549 6.414 1.00 0.00 N ATOM 740 CA GLU A 56 -3.331 3.544 5.805 1.00 0.00 C ATOM 741 C GLU A 56 -3.588 2.175 6.436 1.00 0.00 C ATOM 742 O GLU A 56 -3.814 1.194 5.729 1.00 0.00 O ATOM 743 CB GLU A 56 -1.856 3.935 5.922 1.00 0.00 C ATOM 744 CG GLU A 56 -1.624 5.361 5.416 1.00 0.00 C ATOM 745 CD GLU A 56 -2.457 5.639 4.163 1.00 0.00 C ATOM 746 OE1 GLU A 56 -3.688 5.766 4.252 1.00 0.00 O ATOM 747 OE2 GLU A 56 -1.782 5.728 3.068 1.00 0.00 O ATOM 0 H GLU A 56 -3.714 5.422 6.652 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.574 3.483 4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.537 3.858 6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.245 3.238 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.885 6.075 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.567 5.505 5.194 1.00 0.00 H new ATOM 753 N ALA A 57 -3.545 2.152 7.760 1.00 0.00 N ATOM 754 CA ALA A 57 -3.770 0.920 8.495 1.00 0.00 C ATOM 755 C ALA A 57 -5.210 0.453 8.271 1.00 0.00 C ATOM 756 O ALA A 57 -5.444 -0.701 7.915 1.00 0.00 O ATOM 757 CB ALA A 57 -3.452 1.141 9.975 1.00 0.00 C ATOM 0 H ALA A 57 -3.357 2.968 8.343 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.108 0.133 8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.621 0.216 10.526 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.410 1.442 10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.098 1.923 10.373 1.00 0.00 H new ATOM 763 N PHE A 58 -6.137 1.374 8.488 1.00 0.00 N ATOM 764 CA PHE A 58 -7.548 1.071 8.315 1.00 0.00 C ATOM 765 C PHE A 58 -7.787 0.299 7.016 1.00 0.00 C ATOM 766 O PHE A 58 -8.604 -0.620 6.978 1.00 0.00 O ATOM 767 CB PHE A 58 -8.287 2.410 8.242 1.00 0.00 C ATOM 768 CG PHE A 58 -8.133 3.275 9.494 1.00 0.00 C ATOM 769 CD1 PHE A 58 -7.504 2.775 10.592 1.00 0.00 C ATOM 770 CD2 PHE A 58 -8.625 4.542 9.511 1.00 0.00 C ATOM 771 CE1 PHE A 58 -7.362 3.578 11.756 1.00 0.00 C ATOM 772 CE2 PHE A 58 -8.483 5.344 10.673 1.00 0.00 C ATOM 773 CZ PHE A 58 -7.854 4.846 11.771 1.00 0.00 C ATOM 0 H PHE A 58 -5.939 2.330 8.782 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.901 0.456 9.142 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.922 2.968 7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.347 2.220 8.073 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.113 1.768 10.579 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.124 4.939 8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.864 3.182 12.628 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.875 6.350 10.685 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.745 5.457 12.655 1.00 0.00 H new ATOM 782 N LYS A 59 -7.059 0.699 5.983 1.00 0.00 N ATOM 783 CA LYS A 59 -7.182 0.056 4.687 1.00 0.00 C ATOM 784 C LYS A 59 -7.199 -1.463 4.876 1.00 0.00 C ATOM 785 O LYS A 59 -7.887 -2.175 4.145 1.00 0.00 O ATOM 786 CB LYS A 59 -6.085 0.545 3.740 1.00 0.00 C ATOM 787 CG LYS A 59 -5.942 -0.389 2.537 1.00 0.00 C ATOM 788 CD LYS A 59 -4.548 -1.019 2.495 1.00 0.00 C ATOM 789 CE LYS A 59 -4.552 -2.305 1.665 1.00 0.00 C ATOM 790 NZ LYS A 59 -3.231 -2.967 1.730 1.00 0.00 N ATOM 0 H LYS A 59 -6.382 1.461 6.018 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.125 0.330 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.319 1.553 3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.137 0.602 4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.698 -1.173 2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.122 0.167 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.837 -0.310 2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.213 -1.237 3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.323 -2.981 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.800 -2.075 0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.832 -3.041 0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.591 -2.407 2.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.339 -3.919 2.135 1.00 0.00 H new ATOM 799 N HIS A 60 -6.434 -1.914 5.859 1.00 0.00 N ATOM 800 CA HIS A 60 -6.353 -3.334 6.153 1.00 0.00 C ATOM 801 C HIS A 60 -7.715 -3.838 6.633 1.00 0.00 C ATOM 802 O HIS A 60 -8.206 -4.861 6.158 1.00 0.00 O ATOM 803 CB HIS A 60 -5.229 -3.618 7.152 1.00 0.00 C ATOM 804 CG HIS A 60 -5.171 -5.054 7.617 1.00 0.00 C ATOM 805 ND1 HIS A 60 -4.792 -6.188 6.962 1.00 0.00 N flip ATOM 806 CD2 HIS A 60 -5.529 -5.442 8.896 1.00 0.00 C flip ATOM 807 CE1 HIS A 60 -4.912 -7.215 7.795 1.00 0.00 C flip ATOM 808 NE2 HIS A 60 -5.370 -6.754 8.994 1.00 0.00 N flip ATOM 0 H HIS A 60 -5.864 -1.321 6.462 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.102 -3.883 5.246 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.275 -3.356 6.695 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.355 -2.970 8.020 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.471 -6.239 5.995 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.878 -4.787 9.681 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.685 -8.245 7.562 1.00 0.00 H new ATOM 815 N THR A 61 -8.288 -3.095 7.569 1.00 0.00 N ATOM 816 CA THR A 61 -9.584 -3.455 8.119 1.00 0.00 C ATOM 817 C THR A 61 -10.550 -3.845 6.999 1.00 0.00 C ATOM 818 O THR A 61 -11.368 -4.748 7.165 1.00 0.00 O ATOM 819 CB THR A 61 -10.080 -2.281 8.966 1.00 0.00 C ATOM 820 OG1 THR A 61 -9.230 -2.295 10.110 1.00 0.00 O ATOM 821 CG2 THR A 61 -11.479 -2.520 9.538 1.00 0.00 C ATOM 0 H THR A 61 -7.879 -2.246 7.960 1.00 0.00 H new ATOM 0 HA THR A 61 -9.510 -4.332 8.762 1.00 0.00 H new ATOM 0 HB THR A 61 -10.086 -1.374 8.361 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.481 -1.564 10.713 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.782 -1.657 10.130 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.186 -2.666 8.721 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.467 -3.408 10.170 1.00 0.00 H new ATOM 829 N ALA A 62 -10.423 -3.144 5.881 1.00 0.00 N ATOM 830 CA ALA A 62 -11.274 -3.406 4.733 1.00 0.00 C ATOM 831 C ALA A 62 -10.681 -4.557 3.917 1.00 0.00 C ATOM 832 O ALA A 62 -11.392 -5.491 3.546 1.00 0.00 O ATOM 833 CB ALA A 62 -11.429 -2.127 3.909 1.00 0.00 C ATOM 0 H ALA A 62 -9.744 -2.395 5.746 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.270 -3.708 5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.068 -2.324 3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.881 -1.350 4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.449 -1.794 3.566 1.00 0.00 H new ATOM 839 N ARG A 63 -9.386 -4.452 3.659 1.00 0.00 N ATOM 840 CA ARG A 63 -8.690 -5.473 2.894 1.00 0.00 C ATOM 841 C ARG A 63 -8.667 -6.793 3.666 1.00 0.00 C ATOM 842 O ARG A 63 -8.189 -7.805 3.157 1.00 0.00 O ATOM 843 CB ARG A 63 -7.254 -5.045 2.585 1.00 0.00 C ATOM 844 CG ARG A 63 -6.478 -6.178 1.909 1.00 0.00 C ATOM 845 CD ARG A 63 -5.561 -6.886 2.908 1.00 0.00 C ATOM 846 NE ARG A 63 -4.821 -7.976 2.234 1.00 0.00 N ATOM 847 CZ ARG A 63 -3.618 -7.819 1.641 1.00 0.00 C ATOM 848 NH1 ARG A 63 -3.008 -6.615 1.637 1.00 0.00 N ATOM 849 NH2 ARG A 63 -3.048 -8.862 1.067 1.00 0.00 N ATOM 0 H ARG A 63 -8.800 -3.676 3.966 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.227 -5.608 1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.263 -4.169 1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.751 -4.754 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.176 -6.896 1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.885 -5.778 1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.859 -6.172 3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.150 -7.290 3.731 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.246 -8.903 2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.456 -5.815 2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.099 -6.505 1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.516 -9.768 1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.139 -8.762 0.614 1.00 0.00 H new ATOM 859 N HIS A 64 -9.191 -6.739 4.882 1.00 0.00 N ATOM 860 CA HIS A 64 -9.237 -7.918 5.729 1.00 0.00 C ATOM 861 C HIS A 64 -10.337 -8.861 5.239 1.00 0.00 C ATOM 862 O HIS A 64 -10.078 -10.031 4.957 1.00 0.00 O ATOM 863 CB HIS A 64 -9.405 -7.525 7.199 1.00 0.00 C ATOM 864 CG HIS A 64 -8.468 -8.246 8.138 1.00 0.00 C ATOM 865 ND1 HIS A 64 -7.211 -8.739 7.940 1.00 0.00 N flip ATOM 866 CD2 HIS A 64 -8.795 -8.528 9.453 1.00 0.00 C flip ATOM 867 CE1 HIS A 64 -6.793 -9.290 9.071 1.00 0.00 C flip ATOM 868 NE2 HIS A 64 -7.773 -9.161 10.012 1.00 0.00 N flip ATOM 0 H HIS A 64 -9.587 -5.897 5.300 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.291 -8.454 5.662 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -9.247 -6.451 7.298 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.433 -7.725 7.503 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.725 -8.275 9.941 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.834 -9.763 9.223 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.727 -9.493 10.975 1.00 0.00 H new ATOM 875 N ASN A 65 -11.542 -8.317 5.149 1.00 0.00 N ATOM 876 CA ASN A 65 -12.683 -9.095 4.698 1.00 0.00 C ATOM 877 C ASN A 65 -13.190 -8.524 3.371 1.00 0.00 C ATOM 878 O ASN A 65 -13.402 -9.266 2.413 1.00 0.00 O ATOM 879 CB ASN A 65 -13.829 -9.032 5.709 1.00 0.00 C ATOM 880 CG ASN A 65 -14.412 -10.422 5.964 1.00 0.00 C ATOM 881 OD1 ASN A 65 -14.312 -10.977 7.047 1.00 0.00 O ATOM 882 ND2 ASN A 65 -15.025 -10.954 4.911 1.00 0.00 N ATOM 0 H ASN A 65 -11.753 -7.346 5.381 1.00 0.00 H new ATOM 0 HA ASN A 65 -12.361 -10.130 4.584 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.469 -8.607 6.646 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.610 -8.369 5.338 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.447 -11.880 4.981 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.073 -10.436 4.034 1.00 0.00 H new ATOM 888 N VAL A 66 -13.370 -7.212 3.359 1.00 0.00 N ATOM 889 CA VAL A 66 -13.849 -6.533 2.167 1.00 0.00 C ATOM 890 C VAL A 66 -12.654 -6.006 1.370 1.00 0.00 C ATOM 891 O VAL A 66 -11.558 -6.559 1.452 1.00 0.00 O ATOM 892 CB VAL A 66 -14.842 -5.434 2.553 1.00 0.00 C ATOM 893 CG1 VAL A 66 -15.870 -5.210 1.443 1.00 0.00 C ATOM 894 CG2 VAL A 66 -15.529 -5.758 3.881 1.00 0.00 C ATOM 0 H VAL A 66 -13.193 -6.601 4.156 1.00 0.00 H new ATOM 0 HA VAL A 66 -14.388 -7.228 1.523 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.283 -4.507 2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.564 -4.424 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.358 -4.913 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.422 -6.133 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -16.229 -4.961 4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -16.069 -6.701 3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.779 -5.843 4.667 1.00 0.00 H new ATOM 904 N ASP A 67 -12.905 -4.944 0.620 1.00 0.00 N ATOM 905 CA ASP A 67 -11.864 -4.336 -0.190 1.00 0.00 C ATOM 906 C ASP A 67 -11.958 -2.813 -0.075 1.00 0.00 C ATOM 907 O ASP A 67 -13.046 -2.247 -0.164 1.00 0.00 O ATOM 908 CB ASP A 67 -12.024 -4.711 -1.664 1.00 0.00 C ATOM 909 CG ASP A 67 -10.848 -4.318 -2.562 1.00 0.00 C ATOM 910 OD1 ASP A 67 -9.695 -4.697 -2.307 1.00 0.00 O ATOM 911 OD2 ASP A 67 -11.158 -3.582 -3.576 1.00 0.00 O ATOM 0 H ASP A 67 -13.815 -4.488 0.556 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.901 -4.698 0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.172 -5.789 -1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.928 -4.239 -2.048 1.00 0.00 H new ATOM 916 N GLU A 68 -10.803 -2.193 0.118 1.00 0.00 N ATOM 917 CA GLU A 68 -10.742 -0.747 0.245 1.00 0.00 C ATOM 918 C GLU A 68 -9.456 -0.212 -0.389 1.00 0.00 C ATOM 919 O GLU A 68 -8.394 -0.816 -0.251 1.00 0.00 O ATOM 920 CB GLU A 68 -10.849 -0.320 1.710 1.00 0.00 C ATOM 921 CG GLU A 68 -10.642 1.189 1.858 1.00 0.00 C ATOM 922 CD GLU A 68 -11.823 1.836 2.585 1.00 0.00 C ATOM 923 OE1 GLU A 68 -12.939 1.297 2.556 1.00 0.00 O ATOM 924 OE2 GLU A 68 -11.548 2.938 3.198 1.00 0.00 O ATOM 0 H GLU A 68 -9.902 -2.666 0.189 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.592 -0.319 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.827 -0.597 2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.105 -0.853 2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.722 1.381 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.524 1.642 0.874 1.00 0.00 H new ATOM 930 N LEU A 69 -9.595 0.915 -1.070 1.00 0.00 N ATOM 931 CA LEU A 69 -8.458 1.538 -1.727 1.00 0.00 C ATOM 932 C LEU A 69 -8.472 3.042 -1.443 1.00 0.00 C ATOM 933 O LEU A 69 -9.495 3.701 -1.623 1.00 0.00 O ATOM 934 CB LEU A 69 -8.444 1.193 -3.217 1.00 0.00 C ATOM 935 CG LEU A 69 -9.570 0.279 -3.704 1.00 0.00 C ATOM 936 CD1 LEU A 69 -9.818 0.466 -5.203 1.00 0.00 C ATOM 937 CD2 LEU A 69 -9.284 -1.181 -3.349 1.00 0.00 C ATOM 0 H LEU A 69 -10.478 1.414 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.524 1.146 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.486 2.122 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.491 0.719 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.487 0.562 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.623 -0.195 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.098 1.501 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.909 0.226 -5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.100 -1.809 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.352 -1.494 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.196 -1.282 -2.267 1.00 0.00 H new ATOM 948 N HIS A 70 -7.325 3.540 -1.006 1.00 0.00 N ATOM 949 CA HIS A 70 -7.193 4.954 -0.696 1.00 0.00 C ATOM 950 C HIS A 70 -5.823 5.454 -1.158 1.00 0.00 C ATOM 951 O HIS A 70 -4.821 4.756 -1.009 1.00 0.00 O ATOM 952 CB HIS A 70 -7.448 5.210 0.790 1.00 0.00 C ATOM 953 CG HIS A 70 -7.950 6.602 1.097 1.00 0.00 C ATOM 954 ND1 HIS A 70 -9.285 6.883 1.323 1.00 0.00 N ATOM 955 CD2 HIS A 70 -7.281 7.785 1.210 1.00 0.00 C ATOM 956 CE1 HIS A 70 -9.405 8.181 1.561 1.00 0.00 C ATOM 957 NE2 HIS A 70 -8.162 8.738 1.491 1.00 0.00 N ATOM 0 H HIS A 70 -6.479 2.990 -0.859 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.950 5.522 -1.237 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.175 4.484 1.154 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.524 5.038 1.342 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.216 7.923 1.091 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.325 8.705 1.773 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.945 9.725 1.631 1.00 0.00 H new ATOM 964 N ILE A 71 -5.824 6.658 -1.709 1.00 0.00 N ATOM 965 CA ILE A 71 -4.593 7.261 -2.194 1.00 0.00 C ATOM 966 C ILE A 71 -4.529 8.719 -1.735 1.00 0.00 C ATOM 967 O ILE A 71 -5.484 9.473 -1.916 1.00 0.00 O ATOM 968 CB ILE A 71 -4.472 7.087 -3.709 1.00 0.00 C ATOM 969 CG1 ILE A 71 -3.556 8.153 -4.312 1.00 0.00 C ATOM 970 CG2 ILE A 71 -5.851 7.074 -4.372 1.00 0.00 C ATOM 971 CD1 ILE A 71 -4.363 9.362 -4.789 1.00 0.00 C ATOM 0 H ILE A 71 -6.657 7.233 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.727 6.754 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.012 6.119 -3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.823 8.470 -3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.000 7.729 -5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.736 6.949 -5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.439 6.248 -3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.361 8.015 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.688 10.105 -5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.078 9.045 -5.548 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.898 9.798 -3.946 1.00 0.00 H new ATOM 982 N ASP A 72 -3.394 9.073 -1.152 1.00 0.00 N ATOM 983 CA ASP A 72 -3.192 10.428 -0.666 1.00 0.00 C ATOM 984 C ASP A 72 -1.728 10.823 -0.863 1.00 0.00 C ATOM 985 O ASP A 72 -0.828 10.013 -0.649 1.00 0.00 O ATOM 986 CB ASP A 72 -3.514 10.532 0.826 1.00 0.00 C ATOM 987 CG ASP A 72 -2.401 10.052 1.762 1.00 0.00 C ATOM 988 OD1 ASP A 72 -1.730 9.045 1.492 1.00 0.00 O ATOM 989 OD2 ASP A 72 -2.233 10.768 2.821 1.00 0.00 O ATOM 0 H ASP A 72 -2.604 8.445 -1.005 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.855 11.089 -1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.743 11.571 1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.415 9.953 1.029 1.00 0.00 H new ATOM 994 N GLY A 73 -1.534 12.070 -1.269 1.00 0.00 N ATOM 995 CA GLY A 73 -0.194 12.582 -1.498 1.00 0.00 C ATOM 996 C GLY A 73 -0.029 13.976 -0.888 1.00 0.00 C ATOM 997 O GLY A 73 -0.854 14.860 -1.118 1.00 0.00 O ATOM 0 H GLY A 73 -2.283 12.740 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.538 11.902 -1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.005 12.624 -2.569 1.00 0.00 H new ATOM 1001 N ASN A 74 1.042 14.129 -0.123 1.00 0.00 N ATOM 1002 CA ASN A 74 1.326 15.401 0.521 1.00 0.00 C ATOM 1003 C ASN A 74 2.840 15.618 0.566 1.00 0.00 C ATOM 1004 O ASN A 74 3.589 14.719 0.945 1.00 0.00 O ATOM 1005 CB ASN A 74 0.803 15.417 1.959 1.00 0.00 C ATOM 1006 CG ASN A 74 0.143 16.759 2.286 1.00 0.00 C ATOM 1007 OD1 ASN A 74 0.443 17.787 1.702 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -0.771 16.691 3.250 1.00 0.00 N ATOM 0 H ASN A 74 1.723 13.394 0.065 1.00 0.00 H new ATOM 0 HA ASN A 74 0.834 16.187 -0.051 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.083 14.610 2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.625 15.233 2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.269 17.532 3.541 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.974 15.797 3.698 1.00 0.00 H new ATOM 1014 N TYR A 75 3.245 16.816 0.172 1.00 0.00 N ATOM 1015 CA TYR A 75 4.656 17.163 0.162 1.00 0.00 C ATOM 1016 C TYR A 75 5.202 17.278 1.587 1.00 0.00 C ATOM 1017 O TYR A 75 6.401 17.468 1.782 1.00 0.00 O ATOM 1018 CB TYR A 75 4.749 18.530 -0.518 1.00 0.00 C ATOM 1019 CG TYR A 75 3.776 19.571 0.039 1.00 0.00 C ATOM 1020 CD1 TYR A 75 3.890 19.989 1.350 1.00 0.00 C ATOM 1021 CD2 TYR A 75 2.785 20.091 -0.768 1.00 0.00 C ATOM 1022 CE1 TYR A 75 2.974 20.969 1.874 1.00 0.00 C ATOM 1023 CE2 TYR A 75 1.869 21.070 -0.243 1.00 0.00 C ATOM 1024 CZ TYR A 75 2.008 21.461 1.052 1.00 0.00 C ATOM 1025 OH TYR A 75 1.143 22.386 1.548 1.00 0.00 O ATOM 0 H TYR A 75 2.621 17.559 -0.143 1.00 0.00 H new ATOM 0 HA TYR A 75 5.236 16.398 -0.355 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.766 18.907 -0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.562 18.407 -1.585 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.665 19.581 1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.696 19.764 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.052 21.306 2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.089 21.485 -0.864 1.00 0.00 H new ATOM 0 HH TYR A 75 0.508 22.648 0.849 1.00 0.00 H new ATOM 1034 N GLN A 76 4.296 17.156 2.545 1.00 0.00 N ATOM 1035 CA GLN A 76 4.672 17.244 3.947 1.00 0.00 C ATOM 1036 C GLN A 76 4.536 15.876 4.618 1.00 0.00 C ATOM 1037 O GLN A 76 4.993 15.686 5.745 1.00 0.00 O ATOM 1038 CB GLN A 76 3.835 18.298 4.674 1.00 0.00 C ATOM 1039 CG GLN A 76 2.529 17.697 5.195 1.00 0.00 C ATOM 1040 CD GLN A 76 2.638 17.351 6.682 1.00 0.00 C ATOM 1041 OE1 GLN A 76 2.603 16.047 6.937 1.00 0.00 O flip ATOM 1042 NE2 GLN A 76 2.747 18.212 7.539 1.00 0.00 N flip ATOM 0 H GLN A 76 3.302 16.997 2.379 1.00 0.00 H new ATOM 0 HA GLN A 76 5.715 17.554 4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.406 18.711 5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.615 19.123 3.997 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.713 18.403 5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.285 16.800 4.626 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.767 19.197 7.273 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.818 17.947 8.522 1.00 0.00 H new ATOM 1049 N LEU A 77 3.905 14.959 3.900 1.00 0.00 N ATOM 1050 CA LEU A 77 3.704 13.614 4.413 1.00 0.00 C ATOM 1051 C LEU A 77 5.034 13.065 4.930 1.00 0.00 C ATOM 1052 O LEU A 77 5.187 12.820 6.126 1.00 0.00 O ATOM 1053 CB LEU A 77 3.044 12.730 3.353 1.00 0.00 C ATOM 1054 CG LEU A 77 2.040 11.697 3.872 1.00 0.00 C ATOM 1055 CD1 LEU A 77 0.667 12.331 4.094 1.00 0.00 C ATOM 1056 CD2 LEU A 77 1.969 10.487 2.939 1.00 0.00 C ATOM 0 H LEU A 77 3.526 15.121 2.967 1.00 0.00 H new ATOM 0 HA LEU A 77 3.015 13.628 5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.535 13.375 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.828 12.204 2.808 1.00 0.00 H new ATOM 0 HG LEU A 77 2.388 11.338 4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.027 11.576 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.751 13.134 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.296 12.736 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.249 9.768 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.656 10.811 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.951 10.019 2.875 1.00 0.00 H new ATOM 1067 N GLY A 78 5.965 12.888 4.003 1.00 0.00 N ATOM 1068 CA GLY A 78 7.279 12.372 4.350 1.00 0.00 C ATOM 1069 C GLY A 78 8.046 11.938 3.099 1.00 0.00 C ATOM 1070 O GLY A 78 8.892 11.049 3.163 1.00 0.00 O ATOM 0 H GLY A 78 5.835 13.093 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.845 13.137 4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.174 11.525 5.028 1.00 0.00 H new ATOM 1074 N ARG A 79 7.720 12.588 1.991 1.00 0.00 N ATOM 1075 CA ARG A 79 8.368 12.280 0.726 1.00 0.00 C ATOM 1076 C ARG A 79 8.388 10.767 0.494 1.00 0.00 C ATOM 1077 O ARG A 79 9.442 10.188 0.239 1.00 0.00 O ATOM 1078 CB ARG A 79 9.803 12.811 0.699 1.00 0.00 C ATOM 1079 CG ARG A 79 9.858 14.266 1.169 1.00 0.00 C ATOM 1080 CD ARG A 79 9.888 15.226 -0.022 1.00 0.00 C ATOM 1081 NE ARG A 79 11.285 15.449 -0.458 1.00 0.00 N ATOM 1082 CZ ARG A 79 12.218 16.080 0.287 1.00 0.00 C ATOM 1083 NH1 ARG A 79 11.910 16.556 1.511 1.00 0.00 N ATOM 1084 NH2 ARG A 79 13.436 16.224 -0.202 1.00 0.00 N ATOM 0 H ARG A 79 7.017 13.325 1.942 1.00 0.00 H new ATOM 0 HA ARG A 79 7.797 12.765 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.435 12.194 1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.203 12.736 -0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.992 14.483 1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.743 14.419 1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.303 14.816 -0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.429 16.175 0.254 1.00 0.00 H new ATOM 0 HE ARG A 79 11.560 15.105 -1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.966 16.441 1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.621 17.031 2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.660 15.861 -1.129 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.153 16.698 0.347 1.00 0.00 H new ATOM 1094 N ASN A 80 7.208 10.172 0.590 1.00 0.00 N ATOM 1095 CA ASN A 80 7.075 8.738 0.393 1.00 0.00 C ATOM 1096 C ASN A 80 6.189 8.475 -0.826 1.00 0.00 C ATOM 1097 O ASN A 80 5.024 8.869 -0.847 1.00 0.00 O ATOM 1098 CB ASN A 80 6.421 8.074 1.606 1.00 0.00 C ATOM 1099 CG ASN A 80 6.980 8.643 2.911 1.00 0.00 C ATOM 1100 OD1 ASN A 80 6.364 9.456 3.580 1.00 0.00 O ATOM 1101 ND2 ASN A 80 8.181 8.171 3.236 1.00 0.00 N ATOM 0 H ASN A 80 6.336 10.656 0.801 1.00 0.00 H new ATOM 0 HA ASN A 80 8.073 8.323 0.250 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.342 8.227 1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.592 6.998 1.572 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.640 8.489 4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.643 7.491 2.632 1.00 0.00 H new ATOM 1107 N VAL A 81 6.775 7.810 -1.811 1.00 0.00 N ATOM 1108 CA VAL A 81 6.053 7.489 -3.030 1.00 0.00 C ATOM 1109 C VAL A 81 5.977 5.969 -3.188 1.00 0.00 C ATOM 1110 O VAL A 81 6.987 5.319 -3.453 1.00 0.00 O ATOM 1111 CB VAL A 81 6.710 8.183 -4.225 1.00 0.00 C ATOM 1112 CG1 VAL A 81 8.104 7.611 -4.492 1.00 0.00 C ATOM 1113 CG2 VAL A 81 5.828 8.082 -5.471 1.00 0.00 C ATOM 0 H VAL A 81 7.742 7.485 -1.789 1.00 0.00 H new ATOM 0 HA VAL A 81 5.030 7.861 -2.977 1.00 0.00 H new ATOM 0 HB VAL A 81 6.822 9.239 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.549 8.121 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.732 7.758 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.025 6.545 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.318 8.583 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.669 7.033 -5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.867 8.558 -5.276 1.00 0.00 H new ATOM 1123 N LEU A 82 4.770 5.448 -3.020 1.00 0.00 N ATOM 1124 CA LEU A 82 4.551 4.017 -3.140 1.00 0.00 C ATOM 1125 C LEU A 82 3.516 3.755 -4.237 1.00 0.00 C ATOM 1126 O LEU A 82 2.381 4.220 -4.147 1.00 0.00 O ATOM 1127 CB LEU A 82 4.175 3.416 -1.784 1.00 0.00 C ATOM 1128 CG LEU A 82 5.295 3.356 -0.744 1.00 0.00 C ATOM 1129 CD1 LEU A 82 6.367 2.342 -1.151 1.00 0.00 C ATOM 1130 CD2 LEU A 82 5.886 4.745 -0.493 1.00 0.00 C ATOM 0 H LEU A 82 3.935 5.991 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 82 5.470 3.515 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.351 3.995 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.803 2.404 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 82 4.868 3.013 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.152 2.319 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.918 1.353 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.796 2.631 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.680 4.674 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.294 5.140 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.105 5.412 -0.127 1.00 0.00 H new ATOM 1141 N LEU A 83 3.945 3.011 -5.245 1.00 0.00 N ATOM 1142 CA LEU A 83 3.070 2.682 -6.358 1.00 0.00 C ATOM 1143 C LEU A 83 2.839 1.170 -6.390 1.00 0.00 C ATOM 1144 O LEU A 83 3.751 0.406 -6.702 1.00 0.00 O ATOM 1145 CB LEU A 83 3.630 3.246 -7.665 1.00 0.00 C ATOM 1146 CG LEU A 83 2.637 4.005 -8.547 1.00 0.00 C ATOM 1147 CD1 LEU A 83 3.045 5.472 -8.695 1.00 0.00 C ATOM 1148 CD2 LEU A 83 2.473 3.317 -9.904 1.00 0.00 C ATOM 0 H LEU A 83 4.887 2.626 -5.315 1.00 0.00 H new ATOM 0 HA LEU A 83 2.095 3.151 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.457 3.914 -7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.045 2.422 -8.245 1.00 0.00 H new ATOM 0 HG LEU A 83 1.663 3.989 -8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.322 5.989 -9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.071 5.943 -7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.033 5.531 -9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.762 3.876 -10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.436 3.282 -10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.104 2.302 -9.755 1.00 0.00 H new ATOM 1159 N LYS A 84 1.615 0.783 -6.060 1.00 0.00 N ATOM 1160 CA LYS A 84 1.253 -0.624 -6.047 1.00 0.00 C ATOM 1161 C LYS A 84 0.030 -0.840 -6.941 1.00 0.00 C ATOM 1162 O LYS A 84 -1.028 -0.262 -6.700 1.00 0.00 O ATOM 1163 CB LYS A 84 1.059 -1.114 -4.611 1.00 0.00 C ATOM 1164 CG LYS A 84 1.490 -2.575 -4.467 1.00 0.00 C ATOM 1165 CD LYS A 84 0.916 -3.192 -3.190 1.00 0.00 C ATOM 1166 CE LYS A 84 2.027 -3.506 -2.186 1.00 0.00 C ATOM 1167 NZ LYS A 84 2.510 -4.895 -2.364 1.00 0.00 N ATOM 0 H LYS A 84 0.862 1.420 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 84 2.061 -1.229 -6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.638 -0.491 -3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.012 -1.010 -4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.154 -3.144 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.578 -2.637 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.198 -2.506 -2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.373 -4.105 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.853 -2.808 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.656 -3.371 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.124 -5.154 -1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.697 -5.543 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.048 -4.964 -3.251 1.00 0.00 H new ATOM 1176 N ASN A 85 0.217 -1.674 -7.953 1.00 0.00 N ATOM 1177 CA ASN A 85 -0.858 -1.973 -8.884 1.00 0.00 C ATOM 1178 C ASN A 85 -1.235 -3.450 -8.762 1.00 0.00 C ATOM 1179 O ASN A 85 -0.450 -4.327 -9.123 1.00 0.00 O ATOM 1180 CB ASN A 85 -0.424 -1.713 -10.328 1.00 0.00 C ATOM 1181 CG ASN A 85 0.698 -2.668 -10.743 1.00 0.00 C ATOM 1182 OD1 ASN A 85 1.894 -2.334 -10.267 1.00 0.00 O flip ATOM 1183 ND2 ASN A 85 0.491 -3.640 -11.450 1.00 0.00 N flip ATOM 0 H ASN A 85 1.096 -2.152 -8.149 1.00 0.00 H new ATOM 0 HA ASN A 85 -1.704 -1.330 -8.641 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.277 -1.836 -10.996 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.085 -0.682 -10.430 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.453 -3.838 -11.781 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.262 -4.255 -11.710 1.00 0.00 H new ATOM 1189 N GLY A 86 -2.436 -3.682 -8.253 1.00 0.00 N ATOM 1190 CA GLY A 86 -2.927 -5.038 -8.080 1.00 0.00 C ATOM 1191 C GLY A 86 -4.195 -5.273 -8.904 1.00 0.00 C ATOM 1192 O GLY A 86 -5.201 -4.593 -8.708 1.00 0.00 O ATOM 0 H GLY A 86 -3.084 -2.953 -7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.157 -5.748 -8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.135 -5.221 -7.026 1.00 0.00 H new ATOM 1196 N GLU A 87 -4.104 -6.236 -9.809 1.00 0.00 N ATOM 1197 CA GLU A 87 -5.231 -6.568 -10.664 1.00 0.00 C ATOM 1198 C GLU A 87 -5.597 -8.046 -10.509 1.00 0.00 C ATOM 1199 O GLU A 87 -4.789 -8.923 -10.809 1.00 0.00 O ATOM 1200 CB GLU A 87 -4.930 -6.227 -12.125 1.00 0.00 C ATOM 1201 CG GLU A 87 -3.806 -5.194 -12.227 1.00 0.00 C ATOM 1202 CD GLU A 87 -4.262 -3.833 -11.700 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -3.666 -3.304 -10.751 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -5.276 -3.323 -12.313 1.00 0.00 O ATOM 0 H GLU A 87 -3.267 -6.797 -9.969 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.087 -5.968 -10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.647 -7.132 -12.662 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.829 -5.840 -12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.940 -5.536 -11.660 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.489 -5.098 -13.265 1.00 0.00 H new ATOM 1210 N ASP A 88 -6.816 -8.274 -10.043 1.00 0.00 N ATOM 1211 CA ASP A 88 -7.298 -9.631 -9.844 1.00 0.00 C ATOM 1212 C ASP A 88 -8.734 -9.737 -10.363 1.00 0.00 C ATOM 1213 O ASP A 88 -9.636 -9.085 -9.841 1.00 0.00 O ATOM 1214 CB ASP A 88 -7.302 -10.003 -8.361 1.00 0.00 C ATOM 1215 CG ASP A 88 -6.415 -11.193 -7.989 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -5.900 -11.903 -8.866 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -6.260 -11.383 -6.723 1.00 0.00 O ATOM 0 H ASP A 88 -7.484 -7.543 -9.798 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.634 -10.308 -10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.981 -9.136 -7.784 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.326 -10.225 -8.061 1.00 0.00 H new ATOM 1222 N ARG A 89 -8.900 -10.564 -11.384 1.00 0.00 N ATOM 1223 CA ARG A 89 -10.211 -10.765 -11.980 1.00 0.00 C ATOM 1224 C ARG A 89 -10.433 -12.247 -12.287 1.00 0.00 C ATOM 1225 O ARG A 89 -9.477 -12.988 -12.513 1.00 0.00 O ATOM 1226 CB ARG A 89 -10.360 -9.955 -13.270 1.00 0.00 C ATOM 1227 CG ARG A 89 -9.384 -10.446 -14.341 1.00 0.00 C ATOM 1228 CD ARG A 89 -8.099 -9.616 -14.336 1.00 0.00 C ATOM 1229 NE ARG A 89 -7.185 -10.090 -15.397 1.00 0.00 N ATOM 1230 CZ ARG A 89 -6.276 -11.075 -15.229 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -6.155 -11.699 -14.038 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -5.510 -11.419 -16.247 1.00 0.00 N ATOM 0 H ARG A 89 -8.149 -11.103 -11.814 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.957 -10.424 -11.263 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -11.382 -10.037 -13.639 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.179 -8.900 -13.064 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.144 -11.495 -14.166 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.855 -10.387 -15.322 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.336 -8.564 -14.492 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.611 -9.692 -13.364 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.245 -9.645 -16.313 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.752 -11.428 -13.257 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.466 -12.442 -13.919 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.609 -10.943 -17.144 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.819 -12.161 -16.137 1.00 0.00 H new ATOM 1242 N LEU A 90 -11.700 -12.635 -12.286 1.00 0.00 N ATOM 1243 CA LEU A 90 -12.060 -14.015 -12.563 1.00 0.00 C ATOM 1244 C LEU A 90 -13.253 -14.044 -13.521 1.00 0.00 C ATOM 1245 O LEU A 90 -14.006 -13.077 -13.609 1.00 0.00 O ATOM 1246 CB LEU A 90 -12.299 -14.777 -11.259 1.00 0.00 C ATOM 1247 CG LEU A 90 -11.159 -14.741 -10.240 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -11.433 -13.708 -9.146 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -10.894 -16.132 -9.662 1.00 0.00 C ATOM 0 H LEU A 90 -12.490 -12.018 -12.098 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.239 -14.531 -13.061 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -13.195 -14.375 -10.786 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -12.508 -15.818 -11.504 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.251 -14.430 -10.756 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.607 -13.703 -8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -11.531 -12.720 -9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -12.357 -13.964 -8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.079 -16.077 -8.941 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.793 -16.497 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.621 -16.814 -10.467 1.00 0.00 H new ATOM 1260 N ARG A 91 -13.387 -15.166 -14.215 1.00 0.00 N ATOM 1261 CA ARG A 91 -14.475 -15.334 -15.162 1.00 0.00 C ATOM 1262 C ARG A 91 -15.823 -15.209 -14.450 1.00 0.00 C ATOM 1263 O ARG A 91 -16.824 -14.849 -15.067 1.00 0.00 O ATOM 1264 CB ARG A 91 -14.396 -16.696 -15.855 1.00 0.00 C ATOM 1265 CG ARG A 91 -13.175 -16.774 -16.773 1.00 0.00 C ATOM 1266 CD ARG A 91 -13.382 -15.933 -18.034 1.00 0.00 C ATOM 1267 NE ARG A 91 -13.176 -16.766 -19.239 1.00 0.00 N ATOM 1268 CZ ARG A 91 -12.013 -17.381 -19.544 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -10.941 -17.261 -18.732 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -11.941 -18.103 -20.647 1.00 0.00 N ATOM 0 H ARG A 91 -12.760 -15.967 -14.140 1.00 0.00 H new ATOM 0 HA ARG A 91 -14.384 -14.550 -15.914 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -14.344 -17.486 -15.106 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -15.303 -16.866 -16.435 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.291 -16.424 -16.239 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.990 -17.812 -17.050 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -14.388 -15.513 -18.040 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.687 -15.094 -18.039 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.961 -16.883 -19.879 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.006 -16.703 -17.881 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.066 -17.729 -18.970 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.756 -18.190 -21.254 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.070 -18.574 -20.892 1.00 0.00 H new ATOM 1280 N PHE A 92 -15.806 -15.513 -13.161 1.00 0.00 N ATOM 1281 CA PHE A 92 -17.014 -15.440 -12.358 1.00 0.00 C ATOM 1282 C PHE A 92 -17.505 -13.995 -12.236 1.00 0.00 C ATOM 1283 O PHE A 92 -18.611 -13.749 -11.759 1.00 0.00 O ATOM 1284 CB PHE A 92 -16.659 -15.963 -10.964 1.00 0.00 C ATOM 1285 CG PHE A 92 -17.374 -17.262 -10.587 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -17.619 -18.204 -11.537 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -17.765 -17.475 -9.302 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -18.283 -19.409 -11.187 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -18.428 -18.680 -8.952 1.00 0.00 C ATOM 1290 CZ PHE A 92 -18.673 -19.622 -9.901 1.00 0.00 C ATOM 0 H PHE A 92 -14.974 -15.811 -12.652 1.00 0.00 H new ATOM 0 HA PHE A 92 -17.805 -16.028 -12.824 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.582 -16.124 -10.911 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -16.904 -15.198 -10.227 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -17.308 -18.035 -12.558 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.571 -16.727 -8.548 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -18.479 -20.157 -11.941 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.738 -18.849 -7.931 1.00 0.00 H new ATOM 0 HZ PHE A 92 -19.177 -20.539 -9.634 1.00 0.00 H new ATOM 1299 N TYR A 93 -16.658 -13.077 -12.679 1.00 0.00 N ATOM 1300 CA TYR A 93 -16.991 -11.664 -12.625 1.00 0.00 C ATOM 1301 C TYR A 93 -17.515 -11.173 -13.976 1.00 0.00 C ATOM 1302 O TYR A 93 -17.055 -11.623 -15.025 1.00 0.00 O ATOM 1303 CB TYR A 93 -15.685 -10.934 -12.303 1.00 0.00 C ATOM 1304 CG TYR A 93 -15.756 -10.055 -11.052 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -16.900 -9.333 -10.781 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -14.677 -9.986 -10.196 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -16.967 -8.506 -9.604 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -14.743 -9.158 -9.019 1.00 0.00 C ATOM 1309 CZ TYR A 93 -15.886 -8.459 -8.781 1.00 0.00 C ATOM 1310 OH TYR A 93 -15.949 -7.678 -7.669 1.00 0.00 O ATOM 0 H TYR A 93 -15.742 -13.285 -13.077 1.00 0.00 H new ATOM 0 HA TYR A 93 -17.767 -11.481 -11.881 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.892 -11.670 -12.173 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -15.408 -10.314 -13.155 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -17.745 -9.388 -11.451 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.782 -10.553 -10.408 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -17.856 -7.936 -9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.905 -9.094 -8.341 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.105 -7.743 -7.175 1.00 0.00 H new ATOM 1319 N VAL A 94 -18.468 -10.256 -13.908 1.00 0.00 N ATOM 1320 CA VAL A 94 -19.060 -9.700 -15.113 1.00 0.00 C ATOM 1321 C VAL A 94 -18.514 -8.288 -15.337 1.00 0.00 C ATOM 1322 O VAL A 94 -18.635 -7.740 -16.433 1.00 0.00 O ATOM 1323 CB VAL A 94 -20.586 -9.743 -15.015 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -21.103 -8.677 -14.045 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -21.229 -9.587 -16.395 1.00 0.00 C ATOM 0 H VAL A 94 -18.845 -9.884 -13.037 1.00 0.00 H new ATOM 0 HA VAL A 94 -18.788 -10.297 -15.984 1.00 0.00 H new ATOM 0 HB VAL A 94 -20.869 -10.720 -14.622 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -22.191 -8.729 -13.993 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -20.684 -8.853 -13.054 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -20.803 -7.690 -14.396 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -22.314 -9.621 -16.297 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -20.934 -8.631 -16.828 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -20.898 -10.397 -17.044 1.00 0.00 H new ATOM 1335 N LYS A 95 -17.927 -7.741 -14.285 1.00 0.00 N ATOM 1336 CA LYS A 95 -17.362 -6.403 -14.354 1.00 0.00 C ATOM 1337 C LYS A 95 -15.861 -6.502 -14.633 1.00 0.00 C ATOM 1338 O LYS A 95 -15.321 -5.727 -15.421 1.00 0.00 O ATOM 1339 CB LYS A 95 -17.702 -5.612 -13.088 1.00 0.00 C ATOM 1340 CG LYS A 95 -16.980 -4.264 -13.074 1.00 0.00 C ATOM 1341 CD LYS A 95 -16.411 -3.961 -11.686 1.00 0.00 C ATOM 1342 CE LYS A 95 -17.131 -2.772 -11.047 1.00 0.00 C ATOM 1343 NZ LYS A 95 -18.050 -3.233 -9.982 1.00 0.00 N ATOM 0 H LYS A 95 -17.829 -8.199 -13.379 1.00 0.00 H new ATOM 0 HA LYS A 95 -17.804 -5.845 -15.179 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -18.779 -5.452 -13.033 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.420 -6.189 -12.207 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.174 -4.272 -13.808 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.671 -3.474 -13.368 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.513 -4.839 -11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -15.345 -3.746 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.401 -2.079 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -17.690 -2.227 -11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -18.530 -2.413 -9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.758 -3.877 -10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -17.508 -3.733 -9.249 1.00 0.00 H new ATOM 1352 N PHE A 96 -15.230 -7.459 -13.970 1.00 0.00 N ATOM 1353 CA PHE A 96 -13.802 -7.669 -14.136 1.00 0.00 C ATOM 1354 C PHE A 96 -13.070 -6.337 -14.316 1.00 0.00 C ATOM 1355 O PHE A 96 -12.324 -6.159 -15.277 1.00 0.00 O ATOM 1356 CB PHE A 96 -13.618 -8.513 -15.400 1.00 0.00 C ATOM 1357 CG PHE A 96 -14.313 -7.940 -16.637 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -15.624 -8.212 -16.868 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -13.618 -7.157 -17.506 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -16.269 -7.680 -18.016 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -14.262 -6.625 -18.654 1.00 0.00 C ATOM 1362 CZ PHE A 96 -15.574 -6.898 -18.885 1.00 0.00 C ATOM 0 H PHE A 96 -15.682 -8.098 -13.316 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.393 -8.162 -13.254 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -12.552 -8.611 -15.607 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -14.000 -9.517 -15.213 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -16.176 -8.833 -16.178 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -12.576 -6.940 -17.322 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -17.311 -7.896 -18.199 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -13.710 -6.004 -19.344 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.064 -6.494 -19.758 1.00 0.00 H new ATOM 1371 N GLY A 97 -13.308 -5.436 -13.374 1.00 0.00 N ATOM 1372 CA GLY A 97 -12.681 -4.127 -13.416 1.00 0.00 C ATOM 1373 C GLY A 97 -11.370 -4.121 -12.626 1.00 0.00 C ATOM 1374 O GLY A 97 -11.378 -4.247 -11.403 1.00 0.00 O ATOM 0 H GLY A 97 -13.927 -5.587 -12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.487 -3.846 -14.451 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.361 -3.381 -13.005 1.00 0.00 H new ATOM 1378 N PRO A 98 -10.246 -3.970 -13.378 1.00 0.00 N ATOM 1379 CA PRO A 98 -8.931 -3.947 -12.762 1.00 0.00 C ATOM 1380 C PRO A 98 -8.680 -2.612 -12.056 1.00 0.00 C ATOM 1381 O PRO A 98 -8.488 -1.588 -12.710 1.00 0.00 O ATOM 1382 CB PRO A 98 -7.959 -4.210 -13.899 1.00 0.00 C ATOM 1383 CG PRO A 98 -8.723 -3.909 -15.179 1.00 0.00 C ATOM 1384 CD PRO A 98 -10.200 -3.819 -14.829 1.00 0.00 C ATOM 0 HA PRO A 98 -8.819 -4.698 -11.980 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -7.076 -3.576 -13.813 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -7.612 -5.243 -13.885 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.377 -2.974 -15.619 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.553 -4.692 -15.918 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.624 -2.865 -15.142 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.773 -4.601 -15.327 1.00 0.00 H new ATOM 1389 N GLY A 99 -8.689 -2.668 -10.732 1.00 0.00 N ATOM 1390 CA GLY A 99 -8.464 -1.476 -9.932 1.00 0.00 C ATOM 1391 C GLY A 99 -7.246 -0.700 -10.435 1.00 0.00 C ATOM 1392 O GLY A 99 -6.112 -1.015 -10.077 1.00 0.00 O ATOM 0 H GLY A 99 -8.848 -3.520 -10.194 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.347 -0.838 -9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.316 -1.756 -8.889 1.00 0.00 H new ATOM 1396 N ALA A 100 -7.521 0.302 -11.258 1.00 0.00 N ATOM 1397 CA ALA A 100 -6.463 1.126 -11.813 1.00 0.00 C ATOM 1398 C ALA A 100 -6.143 2.263 -10.840 1.00 0.00 C ATOM 1399 O ALA A 100 -6.998 2.674 -10.058 1.00 0.00 O ATOM 1400 CB ALA A 100 -6.885 1.640 -13.191 1.00 0.00 C ATOM 0 H ALA A 100 -8.462 0.561 -11.553 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.553 0.541 -11.948 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.090 2.259 -13.608 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.072 0.795 -13.853 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.794 2.233 -13.095 1.00 0.00 H new ATOM 1406 N VAL A 101 -4.908 2.737 -10.919 1.00 0.00 N ATOM 1407 CA VAL A 101 -4.464 3.818 -10.056 1.00 0.00 C ATOM 1408 C VAL A 101 -5.491 4.952 -10.097 1.00 0.00 C ATOM 1409 O VAL A 101 -5.767 5.581 -9.076 1.00 0.00 O ATOM 1410 CB VAL A 101 -3.059 4.268 -10.459 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -2.013 3.224 -10.062 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -2.990 4.571 -11.958 1.00 0.00 C ATOM 0 H VAL A 101 -4.201 2.392 -11.568 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.396 3.478 -9.023 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.834 5.188 -9.920 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.023 3.569 -10.360 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.036 3.078 -8.982 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.234 2.280 -10.561 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.981 4.889 -12.219 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.245 3.674 -12.523 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.695 5.366 -12.201 1.00 0.00 H new ATOM 1422 N ILE A 102 -6.027 5.178 -11.287 1.00 0.00 N ATOM 1423 CA ILE A 102 -7.017 6.225 -11.474 1.00 0.00 C ATOM 1424 C ILE A 102 -8.277 5.880 -10.678 1.00 0.00 C ATOM 1425 O ILE A 102 -8.767 6.696 -9.899 1.00 0.00 O ATOM 1426 CB ILE A 102 -7.275 6.458 -12.964 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -6.451 7.636 -13.486 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -8.770 6.636 -13.240 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -6.891 8.946 -12.830 1.00 0.00 C ATOM 0 H ILE A 102 -5.795 4.654 -12.131 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.646 7.173 -11.086 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.950 5.572 -13.510 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.394 7.462 -13.286 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.562 7.711 -14.568 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -8.926 6.800 -14.306 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.307 5.740 -12.928 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.143 7.495 -12.682 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.289 9.768 -13.219 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.942 9.129 -13.052 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.755 8.876 -11.751 1.00 0.00 H new ATOM 1440 N LYS A 103 -8.765 4.668 -10.902 1.00 0.00 N ATOM 1441 CA LYS A 103 -9.958 4.204 -10.215 1.00 0.00 C ATOM 1442 C LYS A 103 -9.856 4.555 -8.729 1.00 0.00 C ATOM 1443 O LYS A 103 -10.773 5.149 -8.163 1.00 0.00 O ATOM 1444 CB LYS A 103 -10.184 2.715 -10.481 1.00 0.00 C ATOM 1445 CG LYS A 103 -11.522 2.479 -11.185 1.00 0.00 C ATOM 1446 CD LYS A 103 -11.525 3.112 -12.578 1.00 0.00 C ATOM 1447 CE LYS A 103 -10.607 2.343 -13.532 1.00 0.00 C ATOM 1448 NZ LYS A 103 -11.394 1.413 -14.372 1.00 0.00 N ATOM 0 H LYS A 103 -8.356 3.994 -11.549 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.842 4.711 -10.602 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.372 2.325 -11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.163 2.167 -9.539 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -11.710 1.409 -11.267 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.331 2.900 -10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.540 3.123 -12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -11.198 4.150 -12.511 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -10.063 3.043 -14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.864 1.786 -12.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.756 0.900 -15.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.894 0.734 -13.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.086 1.951 -14.931 1.00 0.00 H new ATOM 1457 N GLU A 104 -8.732 4.173 -8.140 1.00 0.00 N ATOM 1458 CA GLU A 104 -8.498 4.440 -6.731 1.00 0.00 C ATOM 1459 C GLU A 104 -8.847 5.893 -6.401 1.00 0.00 C ATOM 1460 O GLU A 104 -9.614 6.156 -5.477 1.00 0.00 O ATOM 1461 CB GLU A 104 -7.052 4.123 -6.345 1.00 0.00 C ATOM 1462 CG GLU A 104 -6.783 2.618 -6.418 1.00 0.00 C ATOM 1463 CD GLU A 104 -5.302 2.338 -6.680 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -4.434 3.059 -6.166 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -5.066 1.328 -7.447 1.00 0.00 O ATOM 0 H GLU A 104 -7.974 3.681 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.147 3.788 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.370 4.651 -7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.854 4.483 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.087 2.145 -5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.386 2.175 -7.210 1.00 0.00 H new ATOM 1471 N PHE A 105 -8.265 6.798 -7.174 1.00 0.00 N ATOM 1472 CA PHE A 105 -8.505 8.218 -6.975 1.00 0.00 C ATOM 1473 C PHE A 105 -9.995 8.498 -6.769 1.00 0.00 C ATOM 1474 O PHE A 105 -10.362 9.386 -6.001 1.00 0.00 O ATOM 1475 CB PHE A 105 -8.034 8.933 -8.244 1.00 0.00 C ATOM 1476 CG PHE A 105 -7.093 10.109 -7.982 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -7.385 11.009 -7.006 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -5.965 10.256 -8.726 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -6.511 12.102 -6.763 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -5.091 11.350 -8.483 1.00 0.00 C ATOM 1481 CZ PHE A 105 -5.383 12.249 -7.506 1.00 0.00 C ATOM 0 H PHE A 105 -7.628 6.576 -7.939 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.972 8.566 -6.090 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -7.529 8.213 -8.888 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -8.906 9.293 -8.791 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -8.282 10.893 -6.415 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.733 9.541 -9.502 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.743 12.817 -5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.195 11.467 -9.074 1.00 0.00 H new ATOM 0 HZ PHE A 105 -4.718 13.080 -7.320 1.00 0.00 H new ATOM 1490 N LYS A 106 -10.812 7.725 -7.467 1.00 0.00 N ATOM 1491 CA LYS A 106 -12.254 7.879 -7.370 1.00 0.00 C ATOM 1492 C LYS A 106 -12.657 7.945 -5.895 1.00 0.00 C ATOM 1493 O LYS A 106 -13.704 8.495 -5.558 1.00 0.00 O ATOM 1494 CB LYS A 106 -12.965 6.774 -8.153 1.00 0.00 C ATOM 1495 CG LYS A 106 -13.187 5.538 -7.278 1.00 0.00 C ATOM 1496 CD LYS A 106 -14.651 5.425 -6.849 1.00 0.00 C ATOM 1497 CE LYS A 106 -15.229 4.059 -7.226 1.00 0.00 C ATOM 1498 NZ LYS A 106 -15.453 3.976 -8.687 1.00 0.00 N ATOM 0 H LYS A 106 -10.504 6.989 -8.103 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.569 8.816 -7.829 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.924 7.142 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.372 6.504 -9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.895 4.643 -7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.549 5.593 -6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.731 5.573 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.235 6.214 -7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.547 3.269 -6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.169 3.897 -6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.845 3.043 -8.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -16.122 4.717 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.550 4.109 -9.185 1.00 0.00 H new ATOM 1507 N ILE A 107 -11.804 7.376 -5.055 1.00 0.00 N ATOM 1508 CA ILE A 107 -12.058 7.364 -3.625 1.00 0.00 C ATOM 1509 C ILE A 107 -12.677 8.699 -3.209 1.00 0.00 C ATOM 1510 O ILE A 107 -13.563 8.739 -2.357 1.00 0.00 O ATOM 1511 CB ILE A 107 -10.782 7.012 -2.858 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -11.064 6.875 -1.360 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -9.674 8.028 -3.141 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -11.940 5.654 -1.076 1.00 0.00 C ATOM 0 H ILE A 107 -10.937 6.920 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 107 -12.779 6.587 -3.373 1.00 0.00 H new ATOM 0 HB ILE A 107 -10.428 6.043 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.124 6.787 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.560 7.775 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.778 7.754 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.450 8.034 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -10.003 9.021 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -12.125 5.580 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -12.889 5.757 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.431 4.753 -1.419 1.00 0.00 H new ATOM 1525 N THR A 108 -12.187 9.761 -3.831 1.00 0.00 N ATOM 1526 CA THR A 108 -12.681 11.095 -3.537 1.00 0.00 C ATOM 1527 C THR A 108 -12.841 11.901 -4.827 1.00 0.00 C ATOM 1528 O THR A 108 -13.860 12.560 -5.029 1.00 0.00 O ATOM 1529 CB THR A 108 -11.726 11.743 -2.530 1.00 0.00 C ATOM 1530 OG1 THR A 108 -12.262 13.049 -2.334 1.00 0.00 O ATOM 1531 CG2 THR A 108 -10.337 11.993 -3.119 1.00 0.00 C ATOM 0 H THR A 108 -11.453 9.725 -4.538 1.00 0.00 H new ATOM 0 HA THR A 108 -13.674 11.058 -3.088 1.00 0.00 H new ATOM 0 HB THR A 108 -11.637 11.105 -1.651 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.705 13.539 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.699 12.453 -2.364 1.00 0.00 H new ATOM 0 HG22 THR A 108 -9.900 11.046 -3.435 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.421 12.658 -3.978 1.00 0.00 H new ATOM 1539 N ASP A 109 -11.819 11.825 -5.666 1.00 0.00 N ATOM 1540 CA ASP A 109 -11.834 12.539 -6.931 1.00 0.00 C ATOM 1541 C ASP A 109 -13.182 12.321 -7.619 1.00 0.00 C ATOM 1542 O ASP A 109 -14.030 13.213 -7.629 1.00 0.00 O ATOM 1543 CB ASP A 109 -10.737 12.025 -7.867 1.00 0.00 C ATOM 1544 CG ASP A 109 -10.329 12.994 -8.978 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -9.134 13.203 -9.235 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -11.310 13.554 -9.600 1.00 0.00 O ATOM 0 H ASP A 109 -10.974 11.279 -5.494 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.665 13.596 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -9.855 11.786 -7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.076 11.095 -8.323 1.00 0.00 H new TER 1551 ASP A 109