USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 732 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 90 THR OG1 : rot 180:sc= 0.268 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -172:sc= 0.291 (180deg=-0.126) USER MOD Set 2.1: A 39 THR OG1 : rot -37:sc= 1.26 USER MOD Set 2.2: A 41 ASN :FLIP amide:sc= -1.37 F(o=-2.1!,f=-0.11) USER MOD Set 3.1: A 34 GLN :FLIP amide:sc= 1.03 F(o=-2.3!,f=1.9) USER MOD Set 3.2: A 37 TYR OH : rot -19:sc= 0.842 USER MOD Set 4.1: A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc=-0.00733 X(o=-0.0073,f=-0.0084) USER MOD Single : A 22 THR OG1 : rot 180:sc= -2.2! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 36 ASN : amide:sc= 0.581 K(o=0.58,f=-5.3!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -136:sc= 0.637 (180deg=0.0461) USER MOD Single : A 50 MET CE :methyl -115:sc= -6.66! (180deg=-10.7!) USER MOD Single : A 51 THR OG1 : rot -137:sc= -2.81! USER MOD Single : A 52 GLN : amide:sc= 0.655 K(o=0.65,f=-0.26) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.032 USER MOD Single : A 64 MET CE :methyl -142:sc= -1.07 (180deg=-4.32!) USER MOD Single : A 65 SER OG : rot -93:sc= 0.0875 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0348 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 147:sc= 1.42 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.073 F(o=-1.6!,f=-0.073) USER MOD Single : A 80 GLN : amide:sc= 0.261 K(o=0.26,f=-2.3!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot -43:sc= 0.551 USER MOD Single : A 88 GLN : amide:sc= -10.2! C(o=-10!,f=-16!) USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 92 THR OG1 : rot -148:sc= -0.963 USER MOD Single : A 94 THR OG1 : rot 120:sc= 1.29 USER MOD Single : A 96 ASN : amide:sc= 0.517 K(o=0.52,f=-4.9!) USER MOD Single : A 97 SER OG : rot 180:sc=0.000127 USER MOD Single : A 98 SER OG : rot -36:sc= 0.614 USER MOD Single : A 102 THR OG1 : rot 175:sc= -0.754 USER MOD Single : A 103 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.2) USER MOD Single : A 106 ASN : amide:sc= 0.345 K(o=0.35,f=-5.9!) USER MOD Single : A 111 SER OG : rot 57:sc= 1.25 USER MOD Single : A 113 ASN : amide:sc=-0.00435 X(o=-0.0044,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -35.006 17.055 -14.759 1.00 0.00 N ATOM 2 CA GLY A 17 -34.200 16.835 -13.534 1.00 0.00 C ATOM 3 C GLY A 17 -35.015 16.189 -12.437 1.00 0.00 C ATOM 4 O GLY A 17 -36.180 15.851 -12.647 1.00 0.00 O ATOM 0 HA2 GLY A 17 -33.343 16.204 -13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -33.806 17.788 -13.181 1.00 0.00 H new ATOM 10 N SER A 18 -34.419 16.022 -11.264 1.00 0.00 N ATOM 11 CA SER A 18 -35.131 15.445 -10.134 1.00 0.00 C ATOM 12 C SER A 18 -36.047 16.481 -9.488 1.00 0.00 C ATOM 13 O SER A 18 -36.944 16.132 -8.721 1.00 0.00 O ATOM 14 CB SER A 18 -34.139 14.889 -9.115 1.00 0.00 C ATOM 15 OG SER A 18 -33.342 13.872 -9.699 1.00 0.00 O ATOM 0 H SER A 18 -33.450 16.276 -11.072 1.00 0.00 H new ATOM 0 HA SER A 18 -35.752 14.625 -10.496 1.00 0.00 H new ATOM 0 HB2 SER A 18 -33.501 15.692 -8.745 1.00 0.00 H new ATOM 0 HB3 SER A 18 -34.677 14.489 -8.256 1.00 0.00 H new ATOM 0 HG SER A 18 -32.711 13.528 -9.033 1.00 0.00 H new ATOM 21 N HIS A 19 -35.791 17.757 -9.797 1.00 0.00 N ATOM 22 CA HIS A 19 -36.649 18.877 -9.387 1.00 0.00 C ATOM 23 C HIS A 19 -36.438 19.253 -7.917 1.00 0.00 C ATOM 24 O HIS A 19 -36.723 20.381 -7.516 1.00 0.00 O ATOM 25 CB HIS A 19 -38.130 18.563 -9.663 1.00 0.00 C ATOM 26 CG HIS A 19 -39.066 19.697 -9.371 1.00 0.00 C ATOM 27 ND1 HIS A 19 -40.060 19.627 -8.419 1.00 0.00 N ATOM 28 CD2 HIS A 19 -39.172 20.925 -9.932 1.00 0.00 C ATOM 29 CE1 HIS A 19 -40.734 20.760 -8.408 1.00 0.00 C ATOM 30 NE2 HIS A 19 -40.218 21.566 -9.314 1.00 0.00 N ATOM 0 H HIS A 19 -34.978 18.045 -10.342 1.00 0.00 H new ATOM 0 HA HIS A 19 -36.361 19.740 -9.987 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -38.240 18.277 -10.709 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -38.424 17.701 -9.064 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -38.550 21.326 -10.719 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -41.570 20.989 -7.764 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -40.542 22.511 -9.522 1.00 0.00 H new ATOM 39 N MET A 20 -35.938 18.320 -7.121 1.00 0.00 N ATOM 40 CA MET A 20 -35.691 18.582 -5.711 1.00 0.00 C ATOM 41 C MET A 20 -34.485 17.795 -5.215 1.00 0.00 C ATOM 42 O MET A 20 -34.411 16.579 -5.399 1.00 0.00 O ATOM 43 CB MET A 20 -36.927 18.226 -4.883 1.00 0.00 C ATOM 44 CG MET A 20 -36.752 18.458 -3.389 1.00 0.00 C ATOM 45 SD MET A 20 -36.404 20.182 -2.987 1.00 0.00 S ATOM 46 CE MET A 20 -36.225 20.080 -1.206 1.00 0.00 C ATOM 0 H MET A 20 -35.696 17.377 -7.426 1.00 0.00 H new ATOM 0 HA MET A 20 -35.478 19.645 -5.594 1.00 0.00 H new ATOM 0 HB2 MET A 20 -37.772 18.816 -5.237 1.00 0.00 H new ATOM 0 HB3 MET A 20 -37.177 17.179 -5.052 1.00 0.00 H new ATOM 0 HG2 MET A 20 -37.657 18.143 -2.868 1.00 0.00 H new ATOM 0 HG3 MET A 20 -35.939 17.832 -3.021 1.00 0.00 H new ATOM 0 HE1 MET A 20 -36.006 21.070 -0.805 1.00 0.00 H new ATOM 0 HE2 MET A 20 -37.151 19.707 -0.768 1.00 0.00 H new ATOM 0 HE3 MET A 20 -35.409 19.401 -0.961 1.00 0.00 H new ATOM 56 N SER A 21 -33.535 18.509 -4.611 1.00 0.00 N ATOM 57 CA SER A 21 -32.366 17.897 -3.986 1.00 0.00 C ATOM 58 C SER A 21 -31.534 17.109 -5.003 1.00 0.00 C ATOM 59 O SER A 21 -31.054 16.011 -4.716 1.00 0.00 O ATOM 60 CB SER A 21 -32.805 16.987 -2.834 1.00 0.00 C ATOM 61 OG SER A 21 -33.609 17.696 -1.897 1.00 0.00 O ATOM 0 H SER A 21 -33.555 19.526 -4.542 1.00 0.00 H new ATOM 0 HA SER A 21 -31.736 18.695 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 21 -33.364 16.139 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 21 -31.927 16.583 -2.331 1.00 0.00 H new ATOM 0 HG SER A 21 -33.877 17.092 -1.173 1.00 0.00 H new ATOM 67 N THR A 22 -31.360 17.680 -6.187 1.00 0.00 N ATOM 68 CA THR A 22 -30.619 17.018 -7.251 1.00 0.00 C ATOM 69 C THR A 22 -29.118 17.290 -7.134 1.00 0.00 C ATOM 70 O THR A 22 -28.302 16.370 -7.147 1.00 0.00 O ATOM 71 CB THR A 22 -31.105 17.486 -8.639 1.00 0.00 C ATOM 72 OG1 THR A 22 -32.536 17.506 -8.677 1.00 0.00 O ATOM 73 CG2 THR A 22 -30.584 16.570 -9.734 1.00 0.00 C ATOM 0 H THR A 22 -31.722 18.601 -6.435 1.00 0.00 H new ATOM 0 HA THR A 22 -30.799 15.948 -7.146 1.00 0.00 H new ATOM 0 HB THR A 22 -30.720 18.491 -8.811 1.00 0.00 H new ATOM 0 HG1 THR A 22 -32.836 17.806 -9.561 1.00 0.00 H new ATOM 0 HG21 THR A 22 -30.940 16.921 -10.702 1.00 0.00 H new ATOM 0 HG22 THR A 22 -29.494 16.575 -9.725 1.00 0.00 H new ATOM 0 HG23 THR A 22 -30.943 15.556 -9.561 1.00 0.00 H new ATOM 81 N LEU A 23 -28.761 18.558 -6.988 1.00 0.00 N ATOM 82 CA LEU A 23 -27.364 18.970 -7.042 1.00 0.00 C ATOM 83 C LEU A 23 -26.741 19.006 -5.656 1.00 0.00 C ATOM 84 O LEU A 23 -25.550 19.283 -5.507 1.00 0.00 O ATOM 85 CB LEU A 23 -27.251 20.350 -7.693 1.00 0.00 C ATOM 86 CG LEU A 23 -27.839 20.446 -9.100 1.00 0.00 C ATOM 87 CD1 LEU A 23 -27.685 21.851 -9.652 1.00 0.00 C ATOM 88 CD2 LEU A 23 -27.183 19.437 -10.024 1.00 0.00 C ATOM 0 H LEU A 23 -29.420 19.321 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 23 -26.822 18.236 -7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -27.751 21.079 -7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -26.199 20.631 -7.734 1.00 0.00 H new ATOM 0 HG LEU A 23 -28.903 20.217 -9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -28.110 21.897 -10.655 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -28.206 22.556 -9.004 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.627 22.111 -9.694 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -27.616 19.521 -11.021 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -26.112 19.633 -10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -27.349 18.430 -9.640 1.00 0.00 H new ATOM 100 N GLU A 24 -27.546 18.728 -4.647 1.00 0.00 N ATOM 101 CA GLU A 24 -27.083 18.802 -3.271 1.00 0.00 C ATOM 102 C GLU A 24 -26.779 17.416 -2.717 1.00 0.00 C ATOM 103 O GLU A 24 -26.448 17.265 -1.543 1.00 0.00 O ATOM 104 CB GLU A 24 -28.125 19.507 -2.407 1.00 0.00 C ATOM 105 CG GLU A 24 -28.482 20.890 -2.924 1.00 0.00 C ATOM 106 CD GLU A 24 -29.463 21.615 -2.033 1.00 0.00 C ATOM 107 OE1 GLU A 24 -30.668 21.297 -2.089 1.00 0.00 O ATOM 108 OE2 GLU A 24 -29.037 22.523 -1.292 1.00 0.00 O ATOM 0 H GLU A 24 -28.522 18.449 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 24 -26.158 19.378 -3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -29.027 18.897 -2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -27.748 19.592 -1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -27.573 21.485 -3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -28.905 20.800 -3.925 1.00 0.00 H new ATOM 115 N ARG A 25 -26.881 16.406 -3.567 1.00 0.00 N ATOM 116 CA ARG A 25 -26.588 15.038 -3.166 1.00 0.00 C ATOM 117 C ARG A 25 -25.686 14.372 -4.196 1.00 0.00 C ATOM 118 O ARG A 25 -26.138 13.996 -5.275 1.00 0.00 O ATOM 119 CB ARG A 25 -27.882 14.237 -3.004 1.00 0.00 C ATOM 120 CG ARG A 25 -28.792 14.767 -1.908 1.00 0.00 C ATOM 121 CD ARG A 25 -30.049 13.929 -1.778 1.00 0.00 C ATOM 122 NE ARG A 25 -30.972 14.491 -0.797 1.00 0.00 N ATOM 123 CZ ARG A 25 -32.267 14.195 -0.742 1.00 0.00 C ATOM 124 NH1 ARG A 25 -32.782 13.313 -1.591 1.00 0.00 N ATOM 125 NH2 ARG A 25 -33.041 14.763 0.170 1.00 0.00 N ATOM 0 H ARG A 25 -27.165 16.508 -4.541 1.00 0.00 H new ATOM 0 HA ARG A 25 -26.072 15.062 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -28.424 14.243 -3.950 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -27.632 13.199 -2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -28.256 14.771 -0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -29.063 15.800 -2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -30.544 13.862 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -29.781 12.914 -1.486 1.00 0.00 H new ATOM 0 HE ARG A 25 -30.601 15.150 -0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -32.184 12.863 -2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -33.775 13.085 -1.550 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -32.644 15.429 0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -34.034 14.534 0.210 1.00 0.00 H new ATOM 139 N VAL A 26 -24.409 14.244 -3.865 1.00 0.00 N ATOM 140 CA VAL A 26 -23.443 13.653 -4.779 1.00 0.00 C ATOM 141 C VAL A 26 -23.427 12.125 -4.683 1.00 0.00 C ATOM 142 O VAL A 26 -24.195 11.450 -5.374 1.00 0.00 O ATOM 143 CB VAL A 26 -22.023 14.235 -4.565 1.00 0.00 C ATOM 144 CG1 VAL A 26 -21.910 15.593 -5.231 1.00 0.00 C ATOM 145 CG2 VAL A 26 -21.689 14.363 -3.082 1.00 0.00 C ATOM 0 H VAL A 26 -24.018 14.541 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 26 -23.763 13.916 -5.787 1.00 0.00 H new ATOM 0 HB VAL A 26 -21.311 13.545 -5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -20.908 15.993 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.097 15.491 -6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -22.644 16.273 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -20.686 14.774 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -22.409 15.026 -2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -21.733 13.380 -2.613 1.00 0.00 H new ATOM 155 N VAL A 27 -22.567 11.580 -3.828 1.00 0.00 N ATOM 156 CA VAL A 27 -22.456 10.148 -3.654 1.00 0.00 C ATOM 157 C VAL A 27 -21.691 9.843 -2.360 1.00 0.00 C ATOM 158 O VAL A 27 -21.240 10.769 -1.679 1.00 0.00 O ATOM 159 CB VAL A 27 -21.738 9.535 -4.876 1.00 0.00 C ATOM 160 CG1 VAL A 27 -20.225 9.660 -4.759 1.00 0.00 C ATOM 161 CG2 VAL A 27 -22.161 8.092 -5.113 1.00 0.00 C ATOM 0 H VAL A 27 -21.933 12.122 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 27 -23.450 9.707 -3.578 1.00 0.00 H new ATOM 0 HB VAL A 27 -22.046 10.110 -5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -19.754 9.218 -5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -19.951 10.713 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -19.885 9.139 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -21.634 7.696 -5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -21.917 7.493 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -23.236 8.053 -5.292 1.00 0.00 H new ATOM 171 N TYR A 28 -21.572 8.561 -2.019 1.00 0.00 N ATOM 172 CA TYR A 28 -20.796 8.130 -0.860 1.00 0.00 C ATOM 173 C TYR A 28 -19.368 8.660 -0.946 1.00 0.00 C ATOM 174 O TYR A 28 -18.743 8.622 -2.008 1.00 0.00 O ATOM 175 CB TYR A 28 -20.790 6.603 -0.792 1.00 0.00 C ATOM 176 CG TYR A 28 -20.234 6.034 0.493 1.00 0.00 C ATOM 177 CD1 TYR A 28 -21.015 5.991 1.637 1.00 0.00 C ATOM 178 CD2 TYR A 28 -18.944 5.526 0.559 1.00 0.00 C ATOM 179 CE1 TYR A 28 -20.524 5.463 2.817 1.00 0.00 C ATOM 180 CE2 TYR A 28 -18.446 4.993 1.733 1.00 0.00 C ATOM 181 CZ TYR A 28 -19.241 4.962 2.860 1.00 0.00 C ATOM 182 OH TYR A 28 -18.753 4.421 4.032 1.00 0.00 O ATOM 0 H TYR A 28 -22.008 7.797 -2.535 1.00 0.00 H new ATOM 0 HA TYR A 28 -21.254 8.530 0.044 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -21.810 6.242 -0.922 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -20.206 6.217 -1.628 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -22.024 6.376 1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -18.319 5.548 -0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -21.144 5.443 3.701 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -17.440 4.603 1.768 1.00 0.00 H new ATOM 0 HH TYR A 28 -17.833 4.112 3.892 1.00 0.00 H new ATOM 192 N ARG A 29 -18.859 9.149 0.173 1.00 0.00 N ATOM 193 CA ARG A 29 -17.545 9.770 0.210 1.00 0.00 C ATOM 194 C ARG A 29 -16.483 8.785 0.682 1.00 0.00 C ATOM 195 O ARG A 29 -16.489 8.358 1.840 1.00 0.00 O ATOM 196 CB ARG A 29 -17.574 10.991 1.129 1.00 0.00 C ATOM 197 CG ARG A 29 -18.509 12.091 0.653 1.00 0.00 C ATOM 198 CD ARG A 29 -18.674 13.177 1.701 1.00 0.00 C ATOM 199 NE ARG A 29 -17.405 13.820 2.050 1.00 0.00 N ATOM 200 CZ ARG A 29 -17.225 14.578 3.131 1.00 0.00 C ATOM 201 NH1 ARG A 29 -18.219 14.763 3.990 1.00 0.00 N ATOM 202 NH2 ARG A 29 -16.045 15.143 3.354 1.00 0.00 N ATOM 0 H ARG A 29 -19.339 9.127 1.073 1.00 0.00 H new ATOM 0 HA ARG A 29 -17.287 10.084 -0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -17.876 10.676 2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -16.565 11.395 1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -18.119 12.528 -0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -19.483 11.664 0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -19.369 13.931 1.332 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -19.118 12.746 2.599 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.610 13.679 1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -19.125 14.324 3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -18.077 15.344 4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.277 14.997 2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.906 15.724 4.181 1.00 0.00 H new ATOM 216 N PRO A 30 -15.574 8.391 -0.225 1.00 0.00 N ATOM 217 CA PRO A 30 -14.425 7.549 0.107 1.00 0.00 C ATOM 218 C PRO A 30 -13.600 8.130 1.252 1.00 0.00 C ATOM 219 O PRO A 30 -13.529 9.350 1.420 1.00 0.00 O ATOM 220 CB PRO A 30 -13.604 7.537 -1.182 1.00 0.00 C ATOM 221 CG PRO A 30 -14.580 7.828 -2.259 1.00 0.00 C ATOM 222 CD PRO A 30 -15.615 8.721 -1.656 1.00 0.00 C ATOM 0 HA PRO A 30 -14.730 6.558 0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.813 8.286 -1.153 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.123 6.571 -1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.093 8.313 -3.105 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.030 6.909 -2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.387 9.772 -1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.601 8.534 -2.081 1.00 0.00 H new ATOM 230 N ASP A 31 -12.993 7.257 2.043 1.00 0.00 N ATOM 231 CA ASP A 31 -12.201 7.685 3.186 1.00 0.00 C ATOM 232 C ASP A 31 -10.996 8.489 2.747 1.00 0.00 C ATOM 233 O ASP A 31 -10.918 9.702 2.946 1.00 0.00 O ATOM 234 CB ASP A 31 -11.759 6.473 4.011 1.00 0.00 C ATOM 235 CG ASP A 31 -12.920 5.782 4.691 1.00 0.00 C ATOM 236 OD1 ASP A 31 -13.255 6.160 5.832 1.00 0.00 O ATOM 237 OD2 ASP A 31 -13.508 4.862 4.086 1.00 0.00 O ATOM 0 H ASP A 31 -13.034 6.246 1.913 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.826 8.326 3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.247 5.763 3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.039 6.793 4.764 1.00 0.00 H new ATOM 242 N ILE A 32 -10.065 7.794 2.155 1.00 0.00 N ATOM 243 CA ILE A 32 -8.853 8.403 1.643 1.00 0.00 C ATOM 244 C ILE A 32 -9.043 8.897 0.216 1.00 0.00 C ATOM 245 O ILE A 32 -9.695 8.247 -0.601 1.00 0.00 O ATOM 246 CB ILE A 32 -7.690 7.406 1.686 1.00 0.00 C ATOM 247 CG1 ILE A 32 -7.556 6.863 3.100 1.00 0.00 C ATOM 248 CG2 ILE A 32 -6.399 8.075 1.247 1.00 0.00 C ATOM 249 CD1 ILE A 32 -7.181 7.923 4.105 1.00 0.00 C ATOM 0 H ILE A 32 -10.118 6.786 2.010 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.622 9.257 2.280 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.891 6.584 0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.499 6.405 3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.802 6.076 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.584 7.352 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.510 8.446 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.176 8.908 1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.101 7.474 5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.224 8.365 3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.947 8.698 4.120 1.00 0.00 H new ATOM 261 N ASN A 33 -8.455 10.050 -0.067 1.00 0.00 N ATOM 262 CA ASN A 33 -8.513 10.645 -1.398 1.00 0.00 C ATOM 263 C ASN A 33 -7.530 9.931 -2.302 1.00 0.00 C ATOM 264 O ASN A 33 -7.782 9.713 -3.486 1.00 0.00 O ATOM 265 CB ASN A 33 -8.157 12.134 -1.337 1.00 0.00 C ATOM 266 CG ASN A 33 -8.946 12.888 -0.286 1.00 0.00 C ATOM 267 OD1 ASN A 33 -10.011 13.442 -0.561 1.00 0.00 O ATOM 268 ND2 ASN A 33 -8.424 12.921 0.928 1.00 0.00 N ATOM 0 H ASN A 33 -7.927 10.598 0.613 1.00 0.00 H new ATOM 0 HA ASN A 33 -9.526 10.543 -1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.092 12.239 -1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -8.338 12.586 -2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.906 13.418 1.677 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.539 12.449 1.116 1.00 0.00 H new ATOM 275 N GLN A 34 -6.407 9.555 -1.712 1.00 0.00 N ATOM 276 CA GLN A 34 -5.343 8.875 -2.424 1.00 0.00 C ATOM 277 C GLN A 34 -5.421 7.374 -2.191 1.00 0.00 C ATOM 278 O GLN A 34 -4.422 6.707 -1.929 1.00 0.00 O ATOM 279 CB GLN A 34 -3.995 9.423 -1.977 1.00 0.00 C ATOM 280 CG GLN A 34 -3.764 9.339 -0.475 1.00 0.00 C ATOM 281 CD GLN A 34 -2.500 10.038 -0.034 1.00 0.00 C ATOM 282 OE1 GLN A 34 -1.401 9.312 -0.055 1.00 0.00 O flip ATOM 283 NE2 GLN A 34 -2.511 11.218 0.312 1.00 0.00 N flip ATOM 0 H GLN A 34 -6.209 9.714 -0.724 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.457 9.055 -3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.203 8.875 -2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.915 10.464 -2.290 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.616 9.779 0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.716 8.291 -0.178 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.387 11.741 0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.645 11.674 0.599 1.00 0.00 H new ATOM 292 N GLY A 35 -6.627 6.860 -2.287 1.00 0.00 N ATOM 293 CA GLY A 35 -6.860 5.449 -2.068 1.00 0.00 C ATOM 294 C GLY A 35 -6.800 4.649 -3.353 1.00 0.00 C ATOM 295 O GLY A 35 -7.615 3.758 -3.577 1.00 0.00 O ATOM 0 H GLY A 35 -7.463 7.398 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.117 5.065 -1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.836 5.312 -1.603 1.00 0.00 H new ATOM 299 N ASN A 36 -5.840 4.979 -4.201 1.00 0.00 N ATOM 300 CA ASN A 36 -5.638 4.264 -5.455 1.00 0.00 C ATOM 301 C ASN A 36 -4.686 3.097 -5.242 1.00 0.00 C ATOM 302 O ASN A 36 -4.693 2.122 -5.997 1.00 0.00 O ATOM 303 CB ASN A 36 -5.095 5.200 -6.546 1.00 0.00 C ATOM 304 CG ASN A 36 -3.822 5.917 -6.157 1.00 0.00 C ATOM 305 OD1 ASN A 36 -3.598 6.244 -4.991 1.00 0.00 O ATOM 306 ND2 ASN A 36 -2.976 6.169 -7.136 1.00 0.00 N ATOM 0 H ASN A 36 -5.183 5.743 -4.044 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.603 3.882 -5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.912 4.620 -7.451 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.858 5.940 -6.790 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.099 6.651 -6.940 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.199 5.882 -8.089 1.00 0.00 H new ATOM 313 N TYR A 37 -3.870 3.206 -4.207 1.00 0.00 N ATOM 314 CA TYR A 37 -2.957 2.151 -3.831 1.00 0.00 C ATOM 315 C TYR A 37 -3.220 1.709 -2.394 1.00 0.00 C ATOM 316 O TYR A 37 -4.254 2.048 -1.816 1.00 0.00 O ATOM 317 CB TYR A 37 -1.504 2.614 -4.013 1.00 0.00 C ATOM 318 CG TYR A 37 -1.230 4.027 -3.536 1.00 0.00 C ATOM 319 CD1 TYR A 37 -1.479 4.404 -2.222 1.00 0.00 C ATOM 320 CD2 TYR A 37 -0.722 4.983 -4.406 1.00 0.00 C ATOM 321 CE1 TYR A 37 -1.232 5.691 -1.789 1.00 0.00 C ATOM 322 CE2 TYR A 37 -0.471 6.273 -3.980 1.00 0.00 C ATOM 323 CZ TYR A 37 -0.728 6.621 -2.671 1.00 0.00 C ATOM 324 OH TYR A 37 -0.476 7.905 -2.246 1.00 0.00 O ATOM 0 H TYR A 37 -3.825 4.030 -3.607 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.121 1.292 -4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.848 1.929 -3.476 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.243 2.543 -5.069 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.873 3.677 -1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.520 4.714 -5.432 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.433 5.967 -0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.076 7.005 -4.669 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.973 8.080 -1.420 1.00 0.00 H new ATOM 334 N LEU A 38 -2.294 0.954 -1.827 1.00 0.00 N ATOM 335 CA LEU A 38 -2.438 0.466 -0.465 1.00 0.00 C ATOM 336 C LEU A 38 -2.151 1.573 0.545 1.00 0.00 C ATOM 337 O LEU A 38 -1.562 2.601 0.212 1.00 0.00 O ATOM 338 CB LEU A 38 -1.481 -0.700 -0.215 1.00 0.00 C ATOM 339 CG LEU A 38 -1.747 -1.482 1.066 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.857 -2.478 0.831 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.497 -2.181 1.564 1.00 0.00 C ATOM 0 H LEU A 38 -1.432 0.665 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.467 0.129 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.537 -1.385 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.462 -0.315 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.053 -0.778 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.045 -3.036 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.763 -1.950 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.565 -3.169 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.726 -2.728 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.142 -2.877 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.277 -1.441 1.768 1.00 0.00 H new ATOM 353 N THR A 39 -2.609 1.365 1.767 1.00 0.00 N ATOM 354 CA THR A 39 -2.244 2.209 2.885 1.00 0.00 C ATOM 355 C THR A 39 -1.725 1.358 4.038 1.00 0.00 C ATOM 356 O THR A 39 -1.742 0.130 3.960 1.00 0.00 O ATOM 357 CB THR A 39 -3.433 3.057 3.374 1.00 0.00 C ATOM 358 OG1 THR A 39 -4.429 2.227 3.989 1.00 0.00 O ATOM 359 CG2 THR A 39 -4.052 3.801 2.215 1.00 0.00 C ATOM 0 H THR A 39 -3.245 0.605 2.010 1.00 0.00 H new ATOM 0 HA THR A 39 -1.462 2.885 2.540 1.00 0.00 H new ATOM 0 HB THR A 39 -3.061 3.770 4.110 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.494 1.379 3.502 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.892 4.397 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.307 4.457 1.764 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.405 3.087 1.471 1.00 0.00 H new ATOM 367 N ALA A 40 -1.297 1.999 5.115 1.00 0.00 N ATOM 368 CA ALA A 40 -0.818 1.265 6.288 1.00 0.00 C ATOM 369 C ALA A 40 -1.977 0.595 7.006 1.00 0.00 C ATOM 370 O ALA A 40 -1.819 -0.460 7.616 1.00 0.00 O ATOM 371 CB ALA A 40 -0.084 2.181 7.241 1.00 0.00 C ATOM 0 H ALA A 40 -1.269 3.015 5.206 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.123 0.500 5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.260 1.609 8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.773 2.623 6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.756 2.972 7.575 1.00 0.00 H new ATOM 377 N ASN A 41 -3.140 1.223 6.919 1.00 0.00 N ATOM 378 CA ASN A 41 -4.367 0.679 7.491 1.00 0.00 C ATOM 379 C ASN A 41 -4.615 -0.710 6.941 1.00 0.00 C ATOM 380 O ASN A 41 -4.935 -1.647 7.672 1.00 0.00 O ATOM 381 CB ASN A 41 -5.552 1.571 7.126 1.00 0.00 C ATOM 382 CG ASN A 41 -5.319 3.019 7.456 1.00 0.00 C ATOM 383 OD1 ASN A 41 -4.921 3.773 6.458 1.00 0.00 O flip ATOM 384 ND2 ASN A 41 -5.520 3.465 8.585 1.00 0.00 N flip ATOM 0 H ASN A 41 -3.262 2.121 6.452 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.260 0.636 8.575 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.757 1.475 6.060 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.439 1.222 7.654 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.829 2.843 9.332 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.378 4.457 8.774 1.00 0.00 H new ATOM 391 N ASP A 42 -4.443 -0.820 5.638 1.00 0.00 N ATOM 392 CA ASP A 42 -4.637 -2.078 4.935 1.00 0.00 C ATOM 393 C ASP A 42 -3.582 -3.102 5.335 1.00 0.00 C ATOM 394 O ASP A 42 -3.817 -4.303 5.260 1.00 0.00 O ATOM 395 CB ASP A 42 -4.602 -1.872 3.423 1.00 0.00 C ATOM 396 CG ASP A 42 -5.704 -0.968 2.908 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.852 -1.443 2.766 1.00 0.00 O ATOM 398 OD2 ASP A 42 -5.414 0.216 2.617 1.00 0.00 O ATOM 0 H ASP A 42 -4.166 -0.044 5.037 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.619 -2.457 5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.637 -1.449 3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.679 -2.841 2.931 1.00 0.00 H new ATOM 403 N VAL A 43 -2.420 -2.632 5.762 1.00 0.00 N ATOM 404 CA VAL A 43 -1.379 -3.527 6.248 1.00 0.00 C ATOM 405 C VAL A 43 -1.852 -4.242 7.510 1.00 0.00 C ATOM 406 O VAL A 43 -1.567 -5.420 7.719 1.00 0.00 O ATOM 407 CB VAL A 43 -0.066 -2.780 6.545 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.942 -3.718 7.174 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.513 -2.191 5.283 1.00 0.00 C ATOM 0 H VAL A 43 -2.174 -1.642 5.782 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.181 -4.253 5.459 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.289 -1.971 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.865 -3.176 7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.539 -4.113 8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.149 -4.542 6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.440 -1.668 5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.717 -2.989 4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.199 -1.489 4.849 1.00 0.00 H new ATOM 419 N SER A 44 -2.589 -3.522 8.341 1.00 0.00 N ATOM 420 CA SER A 44 -3.177 -4.097 9.543 1.00 0.00 C ATOM 421 C SER A 44 -4.243 -5.135 9.174 1.00 0.00 C ATOM 422 O SER A 44 -4.584 -6.007 9.973 1.00 0.00 O ATOM 423 CB SER A 44 -3.768 -2.994 10.416 1.00 0.00 C ATOM 424 OG SER A 44 -4.123 -3.481 11.703 1.00 0.00 O ATOM 0 H SER A 44 -2.796 -2.532 8.205 1.00 0.00 H new ATOM 0 HA SER A 44 -2.396 -4.603 10.111 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.046 -2.184 10.519 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.649 -2.576 9.929 1.00 0.00 H new ATOM 0 HG SER A 44 -4.497 -2.750 12.238 1.00 0.00 H new ATOM 430 N LYS A 45 -4.752 -5.035 7.950 1.00 0.00 N ATOM 431 CA LYS A 45 -5.725 -5.991 7.436 1.00 0.00 C ATOM 432 C LYS A 45 -5.070 -7.338 7.159 1.00 0.00 C ATOM 433 O LYS A 45 -5.708 -8.383 7.289 1.00 0.00 O ATOM 434 CB LYS A 45 -6.374 -5.453 6.168 1.00 0.00 C ATOM 435 CG LYS A 45 -7.236 -4.220 6.401 1.00 0.00 C ATOM 436 CD LYS A 45 -7.698 -3.621 5.088 1.00 0.00 C ATOM 437 CE LYS A 45 -8.507 -4.609 4.284 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.511 -4.253 2.840 1.00 0.00 N ATOM 0 H LYS A 45 -4.504 -4.296 7.292 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.494 -6.134 8.195 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.595 -5.210 5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.988 -6.236 5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.102 -4.487 7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.670 -3.478 6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.297 -2.732 5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.832 -3.301 4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.096 -5.610 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.531 -4.634 4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.474 -4.351 2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.192 -3.270 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.869 -4.888 2.324 1.00 0.00 H new ATOM 452 N ILE A 46 -3.800 -7.321 6.767 1.00 0.00 N ATOM 453 CA ILE A 46 -3.085 -8.552 6.533 1.00 0.00 C ATOM 454 C ILE A 46 -2.298 -8.989 7.745 1.00 0.00 C ATOM 455 O ILE A 46 -2.252 -8.309 8.771 1.00 0.00 O ATOM 456 CB ILE A 46 -2.122 -8.492 5.339 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.024 -7.442 5.523 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.896 -8.257 4.066 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.129 -7.646 4.566 1.00 0.00 C ATOM 0 H ILE A 46 -3.257 -6.473 6.608 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.869 -9.276 6.308 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.615 -9.455 5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.446 -6.448 5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.654 -7.481 6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.206 -8.216 3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.605 -9.072 3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.438 -7.314 4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.883 -6.877 4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.570 -8.629 4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.233 -7.580 3.540 1.00 0.00 H new ATOM 471 N ARG A 47 -1.670 -10.136 7.589 1.00 0.00 N ATOM 472 CA ARG A 47 -0.946 -10.786 8.663 1.00 0.00 C ATOM 473 C ARG A 47 -0.190 -11.972 8.113 1.00 0.00 C ATOM 474 O ARG A 47 -0.572 -12.546 7.091 1.00 0.00 O ATOM 475 CB ARG A 47 -1.899 -11.252 9.769 1.00 0.00 C ATOM 476 CG ARG A 47 -3.007 -12.172 9.284 1.00 0.00 C ATOM 477 CD ARG A 47 -4.209 -11.383 8.793 1.00 0.00 C ATOM 478 NE ARG A 47 -4.652 -10.394 9.777 1.00 0.00 N ATOM 479 CZ ARG A 47 -5.929 -10.138 10.056 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.892 -10.819 9.447 1.00 0.00 N ATOM 481 NH2 ARG A 47 -6.242 -9.209 10.949 1.00 0.00 N ATOM 0 H ARG A 47 -1.647 -10.648 6.707 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.249 -10.067 9.094 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.323 -11.768 10.537 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.347 -10.377 10.240 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.631 -12.803 8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.312 -12.835 10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.956 -10.879 7.860 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.028 -12.068 8.573 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.938 -9.868 10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.654 -11.539 8.765 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.870 -10.622 9.661 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.504 -8.689 11.424 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.221 -9.015 11.161 1.00 0.00 H new ATOM 495 N VAL A 48 0.877 -12.325 8.795 1.00 0.00 N ATOM 496 CA VAL A 48 1.721 -13.416 8.376 1.00 0.00 C ATOM 497 C VAL A 48 1.012 -14.741 8.605 1.00 0.00 C ATOM 498 O VAL A 48 0.257 -14.894 9.567 1.00 0.00 O ATOM 499 CB VAL A 48 3.050 -13.407 9.141 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.162 -13.951 8.269 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.377 -12.005 9.611 1.00 0.00 C ATOM 0 H VAL A 48 1.181 -11.864 9.653 1.00 0.00 H new ATOM 0 HA VAL A 48 1.930 -13.293 7.313 1.00 0.00 H new ATOM 0 HB VAL A 48 2.954 -14.049 10.017 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.099 -13.939 8.825 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.927 -14.974 7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.261 -13.332 7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.323 -12.014 10.152 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.458 -11.342 8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.585 -11.648 10.270 1.00 0.00 H new ATOM 511 N GLY A 49 1.241 -15.690 7.718 1.00 0.00 N ATOM 512 CA GLY A 49 0.577 -16.968 7.832 1.00 0.00 C ATOM 513 C GLY A 49 -0.245 -17.295 6.606 1.00 0.00 C ATOM 514 O GLY A 49 -0.309 -18.450 6.191 1.00 0.00 O ATOM 0 H GLY A 49 1.873 -15.600 6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.321 -17.749 7.988 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.069 -16.963 8.710 1.00 0.00 H new ATOM 518 N MET A 50 -0.876 -16.285 6.014 1.00 0.00 N ATOM 519 CA MET A 50 -1.659 -16.518 4.808 1.00 0.00 C ATOM 520 C MET A 50 -0.781 -16.469 3.563 1.00 0.00 C ATOM 521 O MET A 50 0.398 -16.112 3.631 1.00 0.00 O ATOM 522 CB MET A 50 -2.859 -15.566 4.670 1.00 0.00 C ATOM 523 CG MET A 50 -2.603 -14.112 5.036 1.00 0.00 C ATOM 524 SD MET A 50 -3.993 -13.057 4.558 1.00 0.00 S ATOM 525 CE MET A 50 -3.271 -11.424 4.665 1.00 0.00 C ATOM 0 H MET A 50 -0.862 -15.319 6.341 1.00 0.00 H new ATOM 0 HA MET A 50 -2.072 -17.522 4.905 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.211 -15.604 3.639 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.668 -15.941 5.297 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.434 -14.030 6.110 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.695 -13.765 4.543 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.765 -10.859 5.456 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.208 -11.510 4.890 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.400 -10.906 3.714 1.00 0.00 H new ATOM 535 N THR A 51 -1.364 -16.839 2.431 1.00 0.00 N ATOM 536 CA THR A 51 -0.613 -17.001 1.196 1.00 0.00 C ATOM 537 C THR A 51 -0.473 -15.693 0.440 1.00 0.00 C ATOM 538 O THR A 51 -0.857 -14.629 0.935 1.00 0.00 O ATOM 539 CB THR A 51 -1.289 -18.012 0.260 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.538 -17.501 -0.205 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.533 -19.303 0.981 1.00 0.00 C ATOM 0 H THR A 51 -2.361 -17.033 2.344 1.00 0.00 H new ATOM 0 HA THR A 51 0.373 -17.360 1.491 1.00 0.00 H new ATOM 0 HB THR A 51 -0.627 -18.184 -0.588 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.213 -18.211 -0.178 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.013 -20.012 0.306 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.583 -19.714 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.181 -19.124 1.839 1.00 0.00 H new ATOM 549 N GLN A 52 0.062 -15.786 -0.766 1.00 0.00 N ATOM 550 CA GLN A 52 0.138 -14.650 -1.648 1.00 0.00 C ATOM 551 C GLN A 52 -1.250 -14.248 -2.105 1.00 0.00 C ATOM 552 O GLN A 52 -1.585 -13.069 -2.127 1.00 0.00 O ATOM 553 CB GLN A 52 1.000 -14.965 -2.861 1.00 0.00 C ATOM 554 CG GLN A 52 2.409 -15.399 -2.513 1.00 0.00 C ATOM 555 CD GLN A 52 3.334 -15.430 -3.711 1.00 0.00 C ATOM 556 OE1 GLN A 52 3.449 -16.444 -4.397 1.00 0.00 O ATOM 557 NE2 GLN A 52 4.011 -14.319 -3.962 1.00 0.00 N ATOM 0 H GLN A 52 0.451 -16.646 -1.152 1.00 0.00 H new ATOM 0 HA GLN A 52 0.592 -13.825 -1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.520 -15.753 -3.442 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.049 -14.083 -3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.817 -14.721 -1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.376 -16.390 -2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.886 -13.500 -3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.658 -14.283 -4.750 1.00 0.00 H new ATOM 566 N GLN A 53 -2.073 -15.233 -2.441 1.00 0.00 N ATOM 567 CA GLN A 53 -3.387 -14.933 -2.991 1.00 0.00 C ATOM 568 C GLN A 53 -4.250 -14.260 -1.948 1.00 0.00 C ATOM 569 O GLN A 53 -5.048 -13.381 -2.261 1.00 0.00 O ATOM 570 CB GLN A 53 -4.095 -16.175 -3.522 1.00 0.00 C ATOM 571 CG GLN A 53 -4.427 -17.217 -2.485 1.00 0.00 C ATOM 572 CD GLN A 53 -5.528 -18.146 -2.944 1.00 0.00 C ATOM 573 OE1 GLN A 53 -5.274 -19.174 -3.572 1.00 0.00 O ATOM 574 NE2 GLN A 53 -6.764 -17.790 -2.626 1.00 0.00 N ATOM 0 H GLN A 53 -1.860 -16.226 -2.345 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.232 -14.259 -3.834 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.018 -15.866 -4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.467 -16.633 -4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.534 -17.799 -2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.730 -16.725 -1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.929 -16.929 -2.104 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.551 -18.377 -2.903 1.00 0.00 H new ATOM 583 N GLN A 54 -4.082 -14.687 -0.710 1.00 0.00 N ATOM 584 CA GLN A 54 -4.787 -14.076 0.405 1.00 0.00 C ATOM 585 C GLN A 54 -4.458 -12.594 0.475 1.00 0.00 C ATOM 586 O GLN A 54 -5.344 -11.739 0.472 1.00 0.00 O ATOM 587 CB GLN A 54 -4.378 -14.722 1.716 1.00 0.00 C ATOM 588 CG GLN A 54 -4.393 -16.225 1.669 1.00 0.00 C ATOM 589 CD GLN A 54 -5.708 -16.844 2.086 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.780 -16.287 1.856 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.624 -17.994 2.737 1.00 0.00 N ATOM 0 H GLN A 54 -3.463 -15.455 -0.450 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.856 -14.218 0.248 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.377 -14.384 1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.050 -14.383 2.505 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.157 -16.548 0.655 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.603 -16.606 2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.712 -18.420 2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.471 -18.454 3.070 1.00 0.00 H new ATOM 600 N VAL A 55 -3.164 -12.304 0.524 1.00 0.00 N ATOM 601 CA VAL A 55 -2.690 -10.936 0.634 1.00 0.00 C ATOM 602 C VAL A 55 -3.030 -10.119 -0.604 1.00 0.00 C ATOM 603 O VAL A 55 -3.433 -8.972 -0.488 1.00 0.00 O ATOM 604 CB VAL A 55 -1.176 -10.885 0.884 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.685 -9.451 0.872 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.851 -11.532 2.208 1.00 0.00 C ATOM 0 H VAL A 55 -2.423 -13.004 0.489 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.204 -10.498 1.490 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.672 -11.431 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.390 -9.433 1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.899 -9.001 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.192 -8.886 1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.225 -11.492 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.365 -11.000 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.178 -12.572 2.195 1.00 0.00 H new ATOM 616 N ALA A 56 -2.880 -10.709 -1.781 1.00 0.00 N ATOM 617 CA ALA A 56 -3.213 -10.011 -3.022 1.00 0.00 C ATOM 618 C ALA A 56 -4.665 -9.566 -2.997 1.00 0.00 C ATOM 619 O ALA A 56 -5.027 -8.537 -3.556 1.00 0.00 O ATOM 620 CB ALA A 56 -2.962 -10.898 -4.230 1.00 0.00 C ATOM 0 H ALA A 56 -2.534 -11.660 -1.907 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.570 -9.134 -3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.218 -10.355 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.910 -11.182 -4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.578 -11.794 -4.157 1.00 0.00 H new ATOM 626 N TYR A 57 -5.495 -10.359 -2.353 1.00 0.00 N ATOM 627 CA TYR A 57 -6.904 -10.054 -2.245 1.00 0.00 C ATOM 628 C TYR A 57 -7.184 -9.045 -1.128 1.00 0.00 C ATOM 629 O TYR A 57 -8.059 -8.187 -1.254 1.00 0.00 O ATOM 630 CB TYR A 57 -7.683 -11.341 -2.052 1.00 0.00 C ATOM 631 CG TYR A 57 -7.997 -12.016 -3.369 1.00 0.00 C ATOM 632 CD1 TYR A 57 -7.066 -12.028 -4.413 1.00 0.00 C ATOM 633 CD2 TYR A 57 -9.230 -12.618 -3.584 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.362 -12.623 -5.616 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.529 -13.215 -4.793 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.594 -13.213 -5.805 1.00 0.00 C ATOM 637 OH TYR A 57 -8.890 -13.807 -7.010 1.00 0.00 O ATOM 0 H TYR A 57 -5.215 -11.225 -1.894 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.233 -9.580 -3.170 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.109 -12.022 -1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.612 -11.127 -1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.101 -11.563 -4.272 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.966 -12.619 -2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.631 -12.628 -6.411 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.491 -13.681 -4.944 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.797 -14.176 -6.979 1.00 0.00 H new ATOM 647 N ALA A 58 -6.438 -9.160 -0.032 1.00 0.00 N ATOM 648 CA ALA A 58 -6.591 -8.266 1.112 1.00 0.00 C ATOM 649 C ALA A 58 -5.985 -6.894 0.842 1.00 0.00 C ATOM 650 O ALA A 58 -6.561 -5.859 1.192 1.00 0.00 O ATOM 651 CB ALA A 58 -5.942 -8.883 2.338 1.00 0.00 C ATOM 0 H ALA A 58 -5.716 -9.870 0.088 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.658 -8.130 1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.059 -8.212 3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.419 -9.837 2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.881 -9.044 2.146 1.00 0.00 H new ATOM 657 N LEU A 59 -4.818 -6.908 0.222 1.00 0.00 N ATOM 658 CA LEU A 59 -4.024 -5.712 0.008 1.00 0.00 C ATOM 659 C LEU A 59 -4.275 -5.104 -1.365 1.00 0.00 C ATOM 660 O LEU A 59 -3.952 -3.945 -1.615 1.00 0.00 O ATOM 661 CB LEU A 59 -2.547 -6.075 0.160 1.00 0.00 C ATOM 662 CG LEU A 59 -1.824 -5.391 1.305 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.735 -5.312 2.509 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.570 -6.156 1.642 1.00 0.00 C ATOM 0 H LEU A 59 -4.392 -7.757 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.311 -4.964 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.467 -7.154 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.033 -5.831 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.548 -4.379 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.212 -4.820 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.627 -4.741 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.023 -6.318 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.053 -5.662 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.832 -7.173 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.083 -6.187 0.770 1.00 0.00 H new ATOM 676 N GLY A 60 -4.859 -5.890 -2.249 1.00 0.00 N ATOM 677 CA GLY A 60 -5.035 -5.449 -3.611 1.00 0.00 C ATOM 678 C GLY A 60 -3.878 -5.898 -4.473 1.00 0.00 C ATOM 679 O GLY A 60 -2.716 -5.724 -4.101 1.00 0.00 O ATOM 0 H GLY A 60 -5.214 -6.825 -2.048 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.968 -5.848 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.115 -4.362 -3.639 1.00 0.00 H new ATOM 683 N THR A 61 -4.187 -6.497 -5.606 1.00 0.00 N ATOM 684 CA THR A 61 -3.162 -7.018 -6.482 1.00 0.00 C ATOM 685 C THR A 61 -2.294 -5.895 -7.051 1.00 0.00 C ATOM 686 O THR A 61 -2.794 -4.851 -7.478 1.00 0.00 O ATOM 687 CB THR A 61 -3.783 -7.851 -7.607 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.968 -7.208 -8.101 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.118 -9.241 -7.115 1.00 0.00 C ATOM 0 H THR A 61 -5.141 -6.634 -5.940 1.00 0.00 H new ATOM 0 HA THR A 61 -2.517 -7.668 -5.891 1.00 0.00 H new ATOM 0 HB THR A 61 -3.058 -7.933 -8.417 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.357 -7.747 -8.821 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.558 -9.818 -7.928 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.209 -9.734 -6.771 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.829 -9.174 -6.291 1.00 0.00 H new ATOM 697 N PRO A 62 -0.969 -6.112 -7.035 1.00 0.00 N ATOM 698 CA PRO A 62 0.031 -5.111 -7.423 1.00 0.00 C ATOM 699 C PRO A 62 -0.005 -4.774 -8.904 1.00 0.00 C ATOM 700 O PRO A 62 -0.702 -5.427 -9.680 1.00 0.00 O ATOM 701 CB PRO A 62 1.366 -5.775 -7.064 1.00 0.00 C ATOM 702 CG PRO A 62 1.007 -6.903 -6.156 1.00 0.00 C ATOM 703 CD PRO A 62 -0.335 -7.370 -6.631 1.00 0.00 C ATOM 0 HA PRO A 62 -0.145 -4.162 -6.917 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.880 -6.135 -7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.037 -5.071 -6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.745 -7.703 -6.210 1.00 0.00 H new ATOM 0 HG3 PRO A 62 0.966 -6.576 -5.117 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.253 -8.071 -7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.894 -7.874 -5.843 1.00 0.00 H new ATOM 711 N LEU A 63 0.751 -3.753 -9.276 1.00 0.00 N ATOM 712 CA LEU A 63 0.809 -3.265 -10.650 1.00 0.00 C ATOM 713 C LEU A 63 1.031 -4.405 -11.640 1.00 0.00 C ATOM 714 O LEU A 63 0.327 -4.515 -12.650 1.00 0.00 O ATOM 715 CB LEU A 63 1.948 -2.264 -10.753 1.00 0.00 C ATOM 716 CG LEU A 63 2.022 -1.281 -9.588 1.00 0.00 C ATOM 717 CD1 LEU A 63 3.405 -0.667 -9.511 1.00 0.00 C ATOM 718 CD2 LEU A 63 0.964 -0.198 -9.733 1.00 0.00 C ATOM 0 H LEU A 63 1.347 -3.234 -8.631 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.142 -2.795 -10.900 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.891 -2.808 -10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.841 -1.703 -11.681 1.00 0.00 H new ATOM 0 HG LEU A 63 1.829 -1.823 -8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.446 0.033 -8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.145 -1.454 -9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.620 -0.138 -10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.033 0.493 -8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.125 0.346 -10.664 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.025 -0.655 -9.746 1.00 0.00 H new ATOM 730 N MET A 64 2.011 -5.253 -11.337 1.00 0.00 N ATOM 731 CA MET A 64 2.296 -6.424 -12.159 1.00 0.00 C ATOM 732 C MET A 64 1.078 -7.342 -12.234 1.00 0.00 C ATOM 733 O MET A 64 0.340 -7.492 -11.264 1.00 0.00 O ATOM 734 CB MET A 64 3.508 -7.179 -11.608 1.00 0.00 C ATOM 735 CG MET A 64 3.476 -7.385 -10.100 1.00 0.00 C ATOM 736 SD MET A 64 4.987 -8.137 -9.477 1.00 0.00 S ATOM 737 CE MET A 64 4.710 -7.960 -7.722 1.00 0.00 C ATOM 0 H MET A 64 2.622 -5.150 -10.526 1.00 0.00 H new ATOM 0 HA MET A 64 2.528 -6.087 -13.169 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.570 -8.152 -12.096 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.414 -6.632 -11.871 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.322 -6.424 -9.608 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.626 -8.016 -9.840 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.651 -7.717 -7.228 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.990 -7.161 -7.546 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.320 -8.895 -7.319 1.00 0.00 H new ATOM 747 N SER A 65 0.894 -7.966 -13.390 1.00 0.00 N ATOM 748 CA SER A 65 -0.313 -8.734 -13.694 1.00 0.00 C ATOM 749 C SER A 65 -0.377 -10.062 -12.940 1.00 0.00 C ATOM 750 O SER A 65 -1.328 -10.830 -13.096 1.00 0.00 O ATOM 751 CB SER A 65 -0.370 -8.977 -15.200 1.00 0.00 C ATOM 752 OG SER A 65 0.938 -9.196 -15.720 1.00 0.00 O ATOM 0 H SER A 65 1.577 -7.956 -14.147 1.00 0.00 H new ATOM 0 HA SER A 65 -1.175 -8.153 -13.364 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.001 -9.840 -15.411 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.826 -8.120 -15.696 1.00 0.00 H new ATOM 0 HG SER A 65 1.311 -8.346 -16.035 1.00 0.00 H new ATOM 758 N ASP A 66 0.618 -10.312 -12.114 1.00 0.00 N ATOM 759 CA ASP A 66 0.708 -11.553 -11.373 1.00 0.00 C ATOM 760 C ASP A 66 1.516 -11.357 -10.102 1.00 0.00 C ATOM 761 O ASP A 66 2.724 -11.143 -10.140 1.00 0.00 O ATOM 762 CB ASP A 66 1.323 -12.655 -12.239 1.00 0.00 C ATOM 763 CG ASP A 66 1.880 -13.801 -11.421 1.00 0.00 C ATOM 764 OD1 ASP A 66 1.142 -14.363 -10.590 1.00 0.00 O ATOM 765 OD2 ASP A 66 3.073 -14.131 -11.601 1.00 0.00 O ATOM 0 H ASP A 66 1.385 -9.663 -11.938 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.300 -11.861 -11.095 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.566 -13.038 -12.924 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.119 -12.229 -12.849 1.00 0.00 H new ATOM 770 N PRO A 67 0.836 -11.381 -8.958 1.00 0.00 N ATOM 771 CA PRO A 67 1.476 -11.276 -7.646 1.00 0.00 C ATOM 772 C PRO A 67 2.228 -12.552 -7.240 1.00 0.00 C ATOM 773 O PRO A 67 3.194 -12.500 -6.477 1.00 0.00 O ATOM 774 CB PRO A 67 0.288 -11.023 -6.708 1.00 0.00 C ATOM 775 CG PRO A 67 -0.886 -11.647 -7.390 1.00 0.00 C ATOM 776 CD PRO A 67 -0.634 -11.470 -8.865 1.00 0.00 C ATOM 0 HA PRO A 67 2.238 -10.497 -7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.458 -11.469 -5.728 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.131 -9.956 -6.550 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.976 -12.702 -7.131 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.816 -11.165 -7.090 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.022 -12.310 -9.442 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.115 -10.570 -9.249 1.00 0.00 H new ATOM 784 N PHE A 68 1.811 -13.687 -7.786 1.00 0.00 N ATOM 785 CA PHE A 68 2.300 -14.988 -7.346 1.00 0.00 C ATOM 786 C PHE A 68 3.651 -15.346 -7.967 1.00 0.00 C ATOM 787 O PHE A 68 4.255 -16.358 -7.611 1.00 0.00 O ATOM 788 CB PHE A 68 1.275 -16.057 -7.712 1.00 0.00 C ATOM 789 CG PHE A 68 -0.145 -15.646 -7.435 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.508 -15.178 -6.186 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.109 -15.718 -8.426 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.809 -14.792 -5.927 1.00 0.00 C ATOM 793 CE2 PHE A 68 -2.412 -15.334 -8.174 1.00 0.00 C ATOM 794 CZ PHE A 68 -2.762 -14.872 -6.922 1.00 0.00 C ATOM 0 H PHE A 68 1.128 -13.733 -8.542 1.00 0.00 H new ATOM 0 HA PHE A 68 2.441 -14.940 -6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.375 -16.298 -8.770 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.497 -16.967 -7.155 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.234 -15.113 -5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.839 -16.079 -9.408 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.080 -14.428 -4.947 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.155 -15.395 -8.955 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.780 -14.573 -6.721 1.00 0.00 H new ATOM 804 N GLY A 69 4.131 -14.515 -8.877 1.00 0.00 N ATOM 805 CA GLY A 69 5.344 -14.842 -9.606 1.00 0.00 C ATOM 806 C GLY A 69 6.587 -14.293 -8.946 1.00 0.00 C ATOM 807 O GLY A 69 7.708 -14.610 -9.348 1.00 0.00 O ATOM 0 H GLY A 69 3.706 -13.622 -9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.431 -15.925 -9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.271 -14.448 -10.620 1.00 0.00 H new ATOM 811 N THR A 70 6.394 -13.477 -7.931 1.00 0.00 N ATOM 812 CA THR A 70 7.502 -12.871 -7.225 1.00 0.00 C ATOM 813 C THR A 70 7.415 -13.211 -5.741 1.00 0.00 C ATOM 814 O THR A 70 6.422 -13.781 -5.282 1.00 0.00 O ATOM 815 CB THR A 70 7.502 -11.338 -7.405 1.00 0.00 C ATOM 816 OG1 THR A 70 8.747 -10.785 -6.966 1.00 0.00 O ATOM 817 CG2 THR A 70 6.371 -10.714 -6.616 1.00 0.00 C ATOM 0 H THR A 70 5.474 -13.217 -7.575 1.00 0.00 H new ATOM 0 HA THR A 70 8.429 -13.267 -7.640 1.00 0.00 H new ATOM 0 HB THR A 70 7.365 -11.120 -8.464 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.734 -9.813 -7.087 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.385 -9.633 -6.753 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.419 -11.112 -6.967 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.493 -10.947 -5.558 1.00 0.00 H new ATOM 825 N ASN A 71 8.452 -12.861 -5.000 1.00 0.00 N ATOM 826 CA ASN A 71 8.488 -13.102 -3.566 1.00 0.00 C ATOM 827 C ASN A 71 8.619 -11.778 -2.828 1.00 0.00 C ATOM 828 O ASN A 71 8.710 -11.744 -1.599 1.00 0.00 O ATOM 829 CB ASN A 71 9.662 -14.015 -3.194 1.00 0.00 C ATOM 830 CG ASN A 71 9.586 -15.384 -3.845 1.00 0.00 C ATOM 831 OD1 ASN A 71 10.088 -15.585 -4.952 1.00 0.00 O ATOM 832 ND2 ASN A 71 8.971 -16.337 -3.157 1.00 0.00 N ATOM 0 H ASN A 71 9.286 -12.406 -5.370 1.00 0.00 H new ATOM 0 HA ASN A 71 7.560 -13.596 -3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.595 -13.533 -3.485 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.690 -14.136 -2.111 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.900 -17.279 -3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.569 -16.128 -2.243 1.00 0.00 H new ATOM 839 N THR A 72 8.648 -10.693 -3.591 1.00 0.00 N ATOM 840 CA THR A 72 8.804 -9.368 -3.032 1.00 0.00 C ATOM 841 C THR A 72 7.686 -8.446 -3.517 1.00 0.00 C ATOM 842 O THR A 72 7.580 -8.165 -4.709 1.00 0.00 O ATOM 843 CB THR A 72 10.157 -8.771 -3.449 1.00 0.00 C ATOM 844 OG1 THR A 72 11.165 -9.793 -3.463 1.00 0.00 O ATOM 845 CG2 THR A 72 10.569 -7.677 -2.491 1.00 0.00 C ATOM 0 H THR A 72 8.564 -10.712 -4.607 1.00 0.00 H new ATOM 0 HA THR A 72 8.758 -9.453 -1.946 1.00 0.00 H new ATOM 0 HB THR A 72 10.052 -8.350 -4.449 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.023 -9.403 -3.732 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.529 -7.265 -2.801 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.817 -6.888 -2.495 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.658 -8.088 -1.486 1.00 0.00 H new ATOM 853 N TRP A 73 6.848 -7.992 -2.599 1.00 0.00 N ATOM 854 CA TRP A 73 5.749 -7.100 -2.951 1.00 0.00 C ATOM 855 C TRP A 73 6.007 -5.695 -2.426 1.00 0.00 C ATOM 856 O TRP A 73 6.540 -5.529 -1.333 1.00 0.00 O ATOM 857 CB TRP A 73 4.428 -7.636 -2.397 1.00 0.00 C ATOM 858 CG TRP A 73 3.954 -8.883 -3.083 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.620 -9.603 -4.029 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.708 -9.548 -2.879 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.863 -10.677 -4.423 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.688 -10.668 -3.731 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.610 -9.316 -2.055 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.612 -11.541 -3.785 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.542 -10.184 -2.111 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.552 -11.287 -2.969 1.00 0.00 C ATOM 0 H TRP A 73 6.905 -8.224 -1.607 1.00 0.00 H new ATOM 0 HA TRP A 73 5.681 -7.055 -4.038 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.545 -7.838 -1.332 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.663 -6.865 -2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.601 -9.363 -4.413 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.135 -11.370 -5.120 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.596 -8.470 -1.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.615 -12.392 -4.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.318 -10.009 -1.481 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.299 -11.952 -2.985 1.00 0.00 H new ATOM 877 N PHE A 74 5.638 -4.690 -3.214 1.00 0.00 N ATOM 878 CA PHE A 74 5.851 -3.300 -2.826 1.00 0.00 C ATOM 879 C PHE A 74 4.519 -2.562 -2.732 1.00 0.00 C ATOM 880 O PHE A 74 3.770 -2.489 -3.706 1.00 0.00 O ATOM 881 CB PHE A 74 6.762 -2.586 -3.832 1.00 0.00 C ATOM 882 CG PHE A 74 7.962 -3.390 -4.251 1.00 0.00 C ATOM 883 CD1 PHE A 74 8.998 -3.641 -3.364 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.046 -3.899 -5.537 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.096 -4.384 -3.757 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.142 -4.641 -5.934 1.00 0.00 C ATOM 887 CZ PHE A 74 10.167 -4.885 -5.043 1.00 0.00 C ATOM 0 H PHE A 74 5.191 -4.812 -4.123 1.00 0.00 H new ATOM 0 HA PHE A 74 6.334 -3.296 -1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.180 -2.334 -4.718 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.102 -1.647 -3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.947 -3.253 -2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.245 -3.714 -6.238 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.898 -4.573 -3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.196 -5.029 -6.940 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.024 -5.467 -5.350 1.00 0.00 H new ATOM 897 N TYR A 75 4.228 -2.036 -1.552 1.00 0.00 N ATOM 898 CA TYR A 75 3.011 -1.264 -1.321 1.00 0.00 C ATOM 899 C TYR A 75 3.351 0.077 -0.684 1.00 0.00 C ATOM 900 O TYR A 75 4.508 0.330 -0.354 1.00 0.00 O ATOM 901 CB TYR A 75 2.053 -2.027 -0.421 1.00 0.00 C ATOM 902 CG TYR A 75 1.525 -3.302 -1.013 1.00 0.00 C ATOM 903 CD1 TYR A 75 0.532 -3.291 -1.981 1.00 0.00 C ATOM 904 CD2 TYR A 75 2.010 -4.513 -0.577 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.038 -4.468 -2.500 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.531 -5.699 -1.087 1.00 0.00 C ATOM 907 CZ TYR A 75 0.538 -5.671 -2.052 1.00 0.00 C ATOM 908 OH TYR A 75 0.041 -6.842 -2.570 1.00 0.00 O ATOM 0 H TYR A 75 4.824 -2.130 -0.730 1.00 0.00 H new ATOM 0 HA TYR A 75 2.529 -1.094 -2.284 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.561 -2.259 0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.211 -1.379 -0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.141 -2.348 -2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.781 -4.534 0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.736 -4.448 -3.253 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.926 -6.642 -0.738 1.00 0.00 H new ATOM 0 HH TYR A 75 0.752 -7.516 -2.596 1.00 0.00 H new ATOM 918 N VAL A 76 2.343 0.925 -0.500 1.00 0.00 N ATOM 919 CA VAL A 76 2.563 2.292 -0.045 1.00 0.00 C ATOM 920 C VAL A 76 1.750 2.560 1.219 1.00 0.00 C ATOM 921 O VAL A 76 0.740 1.910 1.463 1.00 0.00 O ATOM 922 CB VAL A 76 2.162 3.310 -1.151 1.00 0.00 C ATOM 923 CG1 VAL A 76 2.490 4.748 -0.761 1.00 0.00 C ATOM 924 CG2 VAL A 76 2.823 2.959 -2.476 1.00 0.00 C ATOM 0 H VAL A 76 1.364 0.688 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 76 3.624 2.414 0.175 1.00 0.00 H new ATOM 0 HB VAL A 76 1.080 3.241 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.191 5.420 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.951 5.010 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.562 4.843 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.528 3.685 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.906 2.978 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.509 1.962 -2.786 1.00 0.00 H new ATOM 934 N PHE A 77 2.233 3.479 2.039 1.00 0.00 N ATOM 935 CA PHE A 77 1.474 3.976 3.183 1.00 0.00 C ATOM 936 C PHE A 77 0.793 5.285 2.810 1.00 0.00 C ATOM 937 O PHE A 77 1.281 6.023 1.952 1.00 0.00 O ATOM 938 CB PHE A 77 2.379 4.178 4.402 1.00 0.00 C ATOM 939 CG PHE A 77 2.717 2.906 5.133 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.453 1.663 4.572 1.00 0.00 C ATOM 941 CD2 PHE A 77 3.302 2.957 6.386 1.00 0.00 C ATOM 942 CE1 PHE A 77 2.770 0.501 5.247 1.00 0.00 C ATOM 943 CE2 PHE A 77 3.621 1.797 7.065 1.00 0.00 C ATOM 944 CZ PHE A 77 3.355 0.568 6.496 1.00 0.00 C ATOM 0 H PHE A 77 3.156 3.901 1.935 1.00 0.00 H new ATOM 0 HA PHE A 77 0.720 3.235 3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.304 4.656 4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.891 4.864 5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.994 1.605 3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.512 3.915 6.838 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.561 -0.459 4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.079 1.852 8.042 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.604 -0.339 7.026 1.00 0.00 H new ATOM 954 N ARG A 78 -0.321 5.578 3.467 1.00 0.00 N ATOM 955 CA ARG A 78 -1.150 6.712 3.088 1.00 0.00 C ATOM 956 C ARG A 78 -0.569 8.019 3.616 1.00 0.00 C ATOM 957 O ARG A 78 0.077 8.042 4.668 1.00 0.00 O ATOM 958 CB ARG A 78 -2.584 6.537 3.613 1.00 0.00 C ATOM 959 CG ARG A 78 -2.789 7.027 5.040 1.00 0.00 C ATOM 960 CD ARG A 78 -4.207 6.794 5.533 1.00 0.00 C ATOM 961 NE ARG A 78 -4.416 7.420 6.835 1.00 0.00 N ATOM 962 CZ ARG A 78 -5.523 7.309 7.573 1.00 0.00 C ATOM 963 NH1 ARG A 78 -6.539 6.555 7.174 1.00 0.00 N ATOM 964 NH2 ARG A 78 -5.604 7.956 8.726 1.00 0.00 N ATOM 0 H ARG A 78 -0.671 5.046 4.264 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.171 6.753 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.268 7.073 2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.852 5.482 3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.089 6.516 5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.559 8.091 5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.918 7.199 4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.400 5.724 5.605 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.656 7.987 7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.482 6.048 6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.377 6.482 7.751 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.825 8.533 9.043 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.446 7.877 9.297 1.00 0.00 H new ATOM 978 N GLN A 79 -0.814 9.097 2.872 1.00 0.00 N ATOM 979 CA GLN A 79 -0.454 10.443 3.290 1.00 0.00 C ATOM 980 C GLN A 79 1.026 10.538 3.683 1.00 0.00 C ATOM 981 O GLN A 79 1.376 10.821 4.829 1.00 0.00 O ATOM 982 CB GLN A 79 -1.381 10.855 4.424 1.00 0.00 C ATOM 983 CG GLN A 79 -1.211 12.284 4.908 1.00 0.00 C ATOM 984 CD GLN A 79 -2.260 12.669 5.934 1.00 0.00 C ATOM 985 OE1 GLN A 79 -3.444 12.088 5.815 1.00 0.00 O flip ATOM 986 NE2 GLN A 79 -2.009 13.481 6.825 1.00 0.00 N flip ATOM 0 H GLN A 79 -1.269 9.057 1.960 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.580 11.134 2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.412 10.719 4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.222 10.181 5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.219 12.403 5.343 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.270 12.963 4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.084 13.906 6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.727 13.728 7.506 1.00 0.00 H new ATOM 995 N GLN A 80 1.888 10.233 2.724 1.00 0.00 N ATOM 996 CA GLN A 80 3.314 10.413 2.878 1.00 0.00 C ATOM 997 C GLN A 80 3.808 11.425 1.848 1.00 0.00 C ATOM 998 O GLN A 80 3.075 11.747 0.913 1.00 0.00 O ATOM 999 CB GLN A 80 4.010 9.077 2.665 1.00 0.00 C ATOM 1000 CG GLN A 80 3.416 7.948 3.484 1.00 0.00 C ATOM 1001 CD GLN A 80 3.984 7.881 4.885 1.00 0.00 C ATOM 1002 OE1 GLN A 80 4.977 7.194 5.131 1.00 0.00 O ATOM 1003 NE2 GLN A 80 3.363 8.596 5.812 1.00 0.00 N ATOM 0 H GLN A 80 1.612 9.854 1.818 1.00 0.00 H new ATOM 0 HA GLN A 80 3.537 10.782 3.879 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.959 8.814 1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.065 9.182 2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.335 8.075 3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.599 7.001 2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.544 9.151 5.564 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.704 8.591 6.773 1.00 0.00 H new ATOM 1012 N PRO A 81 5.039 11.933 1.985 1.00 0.00 N ATOM 1013 CA PRO A 81 5.590 12.883 1.020 1.00 0.00 C ATOM 1014 C PRO A 81 5.767 12.254 -0.353 1.00 0.00 C ATOM 1015 O PRO A 81 5.135 12.655 -1.335 1.00 0.00 O ATOM 1016 CB PRO A 81 6.935 13.301 1.621 1.00 0.00 C ATOM 1017 CG PRO A 81 7.265 12.269 2.650 1.00 0.00 C ATOM 1018 CD PRO A 81 5.969 11.642 3.085 1.00 0.00 C ATOM 0 HA PRO A 81 4.926 13.732 0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.708 13.348 0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.871 14.292 2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 81 7.937 11.516 2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.777 12.722 3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 81 6.078 10.569 3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.618 12.066 4.026 1.00 0.00 H new ATOM 1026 N GLY A 82 6.625 11.261 -0.395 1.00 0.00 N ATOM 1027 CA GLY A 82 6.811 10.457 -1.592 1.00 0.00 C ATOM 1028 C GLY A 82 7.649 11.143 -2.653 1.00 0.00 C ATOM 1029 O GLY A 82 8.685 10.621 -3.064 1.00 0.00 O ATOM 0 H GLY A 82 7.213 10.985 0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.285 9.515 -1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.835 10.212 -2.012 1.00 0.00 H new ATOM 1033 N HIS A 83 7.198 12.309 -3.093 1.00 0.00 N ATOM 1034 CA HIS A 83 7.875 13.051 -4.149 1.00 0.00 C ATOM 1035 C HIS A 83 9.170 13.654 -3.626 1.00 0.00 C ATOM 1036 O HIS A 83 10.263 13.199 -3.968 1.00 0.00 O ATOM 1037 CB HIS A 83 6.971 14.161 -4.698 1.00 0.00 C ATOM 1038 CG HIS A 83 5.661 13.666 -5.227 1.00 0.00 C ATOM 1039 ND1 HIS A 83 4.441 14.053 -4.712 1.00 0.00 N ATOM 1040 CD2 HIS A 83 5.383 12.803 -6.231 1.00 0.00 C ATOM 1041 CE1 HIS A 83 3.474 13.450 -5.376 1.00 0.00 C ATOM 1042 NE2 HIS A 83 4.019 12.685 -6.302 1.00 0.00 N ATOM 0 H HIS A 83 6.360 12.765 -2.732 1.00 0.00 H new ATOM 0 HA HIS A 83 8.106 12.356 -4.957 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.782 14.887 -3.908 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.499 14.686 -5.494 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.102 12.300 -6.860 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.416 13.563 -5.193 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.508 12.100 -6.964 1.00 0.00 H new ATOM 1051 N GLU A 84 9.037 14.669 -2.791 1.00 0.00 N ATOM 1052 CA GLU A 84 10.183 15.332 -2.197 1.00 0.00 C ATOM 1053 C GLU A 84 10.379 14.838 -0.772 1.00 0.00 C ATOM 1054 O GLU A 84 9.402 14.604 -0.059 1.00 0.00 O ATOM 1055 CB GLU A 84 9.967 16.841 -2.225 1.00 0.00 C ATOM 1056 CG GLU A 84 9.816 17.392 -3.634 1.00 0.00 C ATOM 1057 CD GLU A 84 9.225 18.783 -3.659 1.00 0.00 C ATOM 1058 OE1 GLU A 84 9.981 19.761 -3.499 1.00 0.00 O ATOM 1059 OE2 GLU A 84 7.997 18.906 -3.849 1.00 0.00 O ATOM 0 H GLU A 84 8.137 15.055 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 84 11.082 15.099 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.076 17.086 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.808 17.332 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.792 17.408 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.182 16.722 -4.215 1.00 0.00 H new ATOM 1066 N GLY A 85 11.630 14.669 -0.368 1.00 0.00 N ATOM 1067 CA GLY A 85 11.914 14.109 0.937 1.00 0.00 C ATOM 1068 C GLY A 85 11.452 12.671 1.036 1.00 0.00 C ATOM 1069 O GLY A 85 10.517 12.357 1.776 1.00 0.00 O ATOM 0 H GLY A 85 12.453 14.910 -0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.985 14.162 1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.420 14.705 1.705 1.00 0.00 H new ATOM 1073 N VAL A 86 12.102 11.794 0.281 1.00 0.00 N ATOM 1074 CA VAL A 86 11.685 10.404 0.211 1.00 0.00 C ATOM 1075 C VAL A 86 11.856 9.725 1.555 1.00 0.00 C ATOM 1076 O VAL A 86 12.929 9.751 2.154 1.00 0.00 O ATOM 1077 CB VAL A 86 12.460 9.604 -0.835 1.00 0.00 C ATOM 1078 CG1 VAL A 86 11.733 8.305 -1.134 1.00 0.00 C ATOM 1079 CG2 VAL A 86 12.662 10.422 -2.096 1.00 0.00 C ATOM 0 H VAL A 86 12.917 12.022 -0.289 1.00 0.00 H new ATOM 0 HA VAL A 86 10.634 10.421 -0.079 1.00 0.00 H new ATOM 0 HB VAL A 86 13.446 9.364 -0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.291 7.739 -1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.649 7.716 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.736 8.526 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.216 9.833 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.692 10.696 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.223 11.325 -1.858 1.00 0.00 H new ATOM 1089 N THR A 87 10.785 9.118 2.007 1.00 0.00 N ATOM 1090 CA THR A 87 10.757 8.447 3.292 1.00 0.00 C ATOM 1091 C THR A 87 9.453 7.669 3.456 1.00 0.00 C ATOM 1092 O THR A 87 9.102 7.245 4.558 1.00 0.00 O ATOM 1093 CB THR A 87 10.894 9.464 4.438 1.00 0.00 C ATOM 1094 OG1 THR A 87 11.099 8.790 5.690 1.00 0.00 O ATOM 1095 CG2 THR A 87 9.652 10.340 4.514 1.00 0.00 C ATOM 0 H THR A 87 9.904 9.073 1.495 1.00 0.00 H new ATOM 0 HA THR A 87 11.598 7.754 3.330 1.00 0.00 H new ATOM 0 HB THR A 87 11.760 10.094 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.491 8.024 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 87 9.761 11.056 5.329 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.527 10.877 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.777 9.716 4.694 1.00 0.00 H new ATOM 1103 N GLN A 88 8.737 7.501 2.350 1.00 0.00 N ATOM 1104 CA GLN A 88 7.497 6.762 2.332 1.00 0.00 C ATOM 1105 C GLN A 88 7.736 5.354 2.861 1.00 0.00 C ATOM 1106 O GLN A 88 8.562 4.623 2.326 1.00 0.00 O ATOM 1107 CB GLN A 88 6.979 6.751 0.893 1.00 0.00 C ATOM 1108 CG GLN A 88 6.544 5.411 0.390 1.00 0.00 C ATOM 1109 CD GLN A 88 5.226 4.955 0.985 1.00 0.00 C ATOM 1110 OE1 GLN A 88 4.970 3.766 1.114 1.00 0.00 O ATOM 1111 NE2 GLN A 88 4.381 5.905 1.360 1.00 0.00 N ATOM 0 H GLN A 88 9.008 7.878 1.442 1.00 0.00 H new ATOM 0 HA GLN A 88 6.748 7.226 2.974 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.138 7.441 0.820 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.762 7.132 0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.453 5.448 -0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.314 4.675 0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.630 6.886 1.237 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.482 5.654 1.772 1.00 0.00 H new ATOM 1120 N GLN A 89 7.052 4.991 3.929 1.00 0.00 N ATOM 1121 CA GLN A 89 7.203 3.663 4.487 1.00 0.00 C ATOM 1122 C GLN A 89 6.453 2.656 3.638 1.00 0.00 C ATOM 1123 O GLN A 89 5.234 2.581 3.682 1.00 0.00 O ATOM 1124 CB GLN A 89 6.709 3.626 5.928 1.00 0.00 C ATOM 1125 CG GLN A 89 7.586 4.415 6.882 1.00 0.00 C ATOM 1126 CD GLN A 89 6.973 4.548 8.262 1.00 0.00 C ATOM 1127 OE1 GLN A 89 6.198 3.552 8.664 1.00 0.00 O flip ATOM 1128 NE2 GLN A 89 7.199 5.533 8.961 1.00 0.00 N flip ATOM 0 H GLN A 89 6.392 5.592 4.423 1.00 0.00 H new ATOM 0 HA GLN A 89 8.261 3.401 4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.694 4.021 5.967 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.661 2.590 6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.557 3.927 6.965 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.763 5.408 6.470 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.802 6.278 8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.783 5.606 9.890 1.00 0.00 H new ATOM 1137 N THR A 90 7.194 1.898 2.860 1.00 0.00 N ATOM 1138 CA THR A 90 6.616 0.935 1.959 1.00 0.00 C ATOM 1139 C THR A 90 6.441 -0.409 2.636 1.00 0.00 C ATOM 1140 O THR A 90 7.233 -0.798 3.504 1.00 0.00 O ATOM 1141 CB THR A 90 7.509 0.755 0.722 1.00 0.00 C ATOM 1142 OG1 THR A 90 8.877 0.581 1.128 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.392 1.957 -0.194 1.00 0.00 C ATOM 0 H THR A 90 8.213 1.934 2.837 1.00 0.00 H new ATOM 0 HA THR A 90 5.639 1.313 1.658 1.00 0.00 H new ATOM 0 HB THR A 90 7.180 -0.131 0.179 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.441 0.465 0.335 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.031 1.814 -1.066 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.357 2.069 -0.517 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.704 2.854 0.341 1.00 0.00 H new ATOM 1151 N LEU A 91 5.396 -1.114 2.246 1.00 0.00 N ATOM 1152 CA LEU A 91 5.215 -2.471 2.713 1.00 0.00 C ATOM 1153 C LEU A 91 5.877 -3.412 1.733 1.00 0.00 C ATOM 1154 O LEU A 91 5.432 -3.555 0.595 1.00 0.00 O ATOM 1155 CB LEU A 91 3.743 -2.853 2.874 1.00 0.00 C ATOM 1156 CG LEU A 91 3.536 -4.225 3.514 1.00 0.00 C ATOM 1157 CD1 LEU A 91 4.049 -4.208 4.935 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.085 -4.655 3.505 1.00 0.00 C ATOM 0 H LEU A 91 4.670 -0.774 1.616 1.00 0.00 H new ATOM 0 HA LEU A 91 5.670 -2.546 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.244 -2.098 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.264 -2.841 1.895 1.00 0.00 H new ATOM 0 HG LEU A 91 4.095 -4.947 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.899 -5.188 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.112 -3.967 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.506 -3.457 5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.993 -5.636 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.488 -3.932 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.727 -4.707 2.477 1.00 0.00 H new ATOM 1170 N THR A 92 6.953 -4.022 2.170 1.00 0.00 N ATOM 1171 CA THR A 92 7.680 -4.958 1.350 1.00 0.00 C ATOM 1172 C THR A 92 7.388 -6.360 1.841 1.00 0.00 C ATOM 1173 O THR A 92 7.904 -6.793 2.865 1.00 0.00 O ATOM 1174 CB THR A 92 9.192 -4.686 1.391 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.434 -3.307 1.077 1.00 0.00 O ATOM 1176 CG2 THR A 92 9.924 -5.574 0.399 1.00 0.00 C ATOM 0 H THR A 92 7.347 -3.883 3.101 1.00 0.00 H new ATOM 0 HA THR A 92 7.358 -4.846 0.315 1.00 0.00 H new ATOM 0 HB THR A 92 9.563 -4.908 2.391 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.294 -3.223 0.614 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.993 -5.366 0.444 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.748 -6.620 0.648 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.557 -5.374 -0.608 1.00 0.00 H new ATOM 1184 N LEU A 93 6.538 -7.063 1.132 1.00 0.00 N ATOM 1185 CA LEU A 93 6.072 -8.335 1.626 1.00 0.00 C ATOM 1186 C LEU A 93 7.003 -9.449 1.189 1.00 0.00 C ATOM 1187 O LEU A 93 7.304 -9.588 0.001 1.00 0.00 O ATOM 1188 CB LEU A 93 4.644 -8.612 1.171 1.00 0.00 C ATOM 1189 CG LEU A 93 3.851 -9.430 2.156 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.704 -8.656 3.447 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.498 -9.782 1.606 1.00 0.00 C ATOM 0 H LEU A 93 6.161 -6.782 0.227 1.00 0.00 H new ATOM 0 HA LEU A 93 6.072 -8.295 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.134 -7.664 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.670 -9.134 0.214 1.00 0.00 H new ATOM 0 HG LEU A 93 4.386 -10.361 2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.130 -9.246 4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.691 -8.446 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.185 -7.718 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.949 -10.372 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.945 -8.868 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.617 -10.361 0.690 1.00 0.00 H new ATOM 1203 N THR A 94 7.461 -10.228 2.159 1.00 0.00 N ATOM 1204 CA THR A 94 8.388 -11.291 1.919 1.00 0.00 C ATOM 1205 C THR A 94 7.665 -12.633 1.960 1.00 0.00 C ATOM 1206 O THR A 94 7.041 -12.989 2.970 1.00 0.00 O ATOM 1207 CB THR A 94 9.504 -11.252 2.973 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.343 -10.105 2.768 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.320 -12.516 2.921 1.00 0.00 C ATOM 0 H THR A 94 7.189 -10.128 3.137 1.00 0.00 H new ATOM 0 HA THR A 94 8.831 -11.166 0.931 1.00 0.00 H new ATOM 0 HB THR A 94 9.047 -11.176 3.960 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.320 -9.536 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.107 -12.472 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.676 -13.373 3.118 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.769 -12.619 1.933 1.00 0.00 H new ATOM 1217 N PHE A 95 7.744 -13.363 0.857 1.00 0.00 N ATOM 1218 CA PHE A 95 7.025 -14.618 0.719 1.00 0.00 C ATOM 1219 C PHE A 95 7.952 -15.816 0.678 1.00 0.00 C ATOM 1220 O PHE A 95 9.081 -15.750 0.187 1.00 0.00 O ATOM 1221 CB PHE A 95 6.148 -14.608 -0.530 1.00 0.00 C ATOM 1222 CG PHE A 95 4.827 -13.951 -0.307 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.877 -14.577 0.470 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.536 -12.719 -0.857 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.655 -13.994 0.698 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.312 -12.128 -0.631 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.371 -12.769 0.149 1.00 0.00 C ATOM 0 H PHE A 95 8.301 -13.105 0.043 1.00 0.00 H new ATOM 0 HA PHE A 95 6.397 -14.712 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.674 -14.092 -1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.987 -15.633 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.097 -15.540 0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.271 -12.216 -1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.920 -14.498 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.089 -11.164 -1.064 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.411 -12.307 0.327 1.00 0.00 H new ATOM 1237 N ASN A 96 7.431 -16.913 1.197 1.00 0.00 N ATOM 1238 CA ASN A 96 8.122 -18.188 1.247 1.00 0.00 C ATOM 1239 C ASN A 96 8.169 -18.823 -0.138 1.00 0.00 C ATOM 1240 O ASN A 96 7.526 -18.331 -1.064 1.00 0.00 O ATOM 1241 CB ASN A 96 7.367 -19.106 2.207 1.00 0.00 C ATOM 1242 CG ASN A 96 8.240 -20.079 2.935 1.00 0.00 C ATOM 1243 OD1 ASN A 96 9.306 -20.473 2.465 1.00 0.00 O ATOM 1244 ND2 ASN A 96 7.753 -20.504 4.078 1.00 0.00 N ATOM 0 H ASN A 96 6.496 -16.943 1.604 1.00 0.00 H new ATOM 0 HA ASN A 96 9.146 -18.037 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 96 6.836 -18.494 2.936 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.613 -19.659 1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.265 -21.197 4.625 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.863 -20.142 4.419 1.00 0.00 H new ATOM 1251 N SER A 97 8.891 -19.923 -0.272 1.00 0.00 N ATOM 1252 CA SER A 97 8.980 -20.630 -1.543 1.00 0.00 C ATOM 1253 C SER A 97 7.603 -21.145 -1.979 1.00 0.00 C ATOM 1254 O SER A 97 7.303 -21.235 -3.174 1.00 0.00 O ATOM 1255 CB SER A 97 9.965 -21.791 -1.413 1.00 0.00 C ATOM 1256 OG SER A 97 11.163 -21.368 -0.780 1.00 0.00 O ATOM 0 H SER A 97 9.426 -20.348 0.485 1.00 0.00 H new ATOM 0 HA SER A 97 9.336 -19.938 -2.306 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.510 -22.597 -0.838 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.193 -22.193 -2.400 1.00 0.00 H new ATOM 0 HG SER A 97 11.779 -22.127 -0.705 1.00 0.00 H new ATOM 1262 N SER A 98 6.755 -21.450 -0.999 1.00 0.00 N ATOM 1263 CA SER A 98 5.416 -21.953 -1.271 1.00 0.00 C ATOM 1264 C SER A 98 4.429 -20.800 -1.448 1.00 0.00 C ATOM 1265 O SER A 98 3.227 -21.017 -1.612 1.00 0.00 O ATOM 1266 CB SER A 98 4.958 -22.866 -0.127 1.00 0.00 C ATOM 1267 OG SER A 98 3.701 -23.460 -0.410 1.00 0.00 O ATOM 0 H SER A 98 6.975 -21.356 -0.007 1.00 0.00 H new ATOM 0 HA SER A 98 5.444 -22.526 -2.198 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.702 -23.646 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.890 -22.290 0.796 1.00 0.00 H new ATOM 0 HG SER A 98 3.137 -22.818 -0.890 1.00 0.00 H new ATOM 1273 N GLY A 99 4.946 -19.578 -1.421 1.00 0.00 N ATOM 1274 CA GLY A 99 4.095 -18.411 -1.525 1.00 0.00 C ATOM 1275 C GLY A 99 3.323 -18.157 -0.246 1.00 0.00 C ATOM 1276 O GLY A 99 2.181 -17.705 -0.277 1.00 0.00 O ATOM 0 H GLY A 99 5.941 -19.375 -1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.704 -17.538 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.396 -18.544 -2.350 1.00 0.00 H new ATOM 1280 N VAL A 100 3.951 -18.458 0.879 1.00 0.00 N ATOM 1281 CA VAL A 100 3.345 -18.239 2.182 1.00 0.00 C ATOM 1282 C VAL A 100 4.028 -17.059 2.852 1.00 0.00 C ATOM 1283 O VAL A 100 5.240 -16.908 2.734 1.00 0.00 O ATOM 1284 CB VAL A 100 3.498 -19.488 3.072 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.653 -19.365 4.332 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.140 -20.744 2.290 1.00 0.00 C ATOM 0 H VAL A 100 4.889 -18.858 0.915 1.00 0.00 H new ATOM 0 HA VAL A 100 2.282 -18.036 2.048 1.00 0.00 H new ATOM 0 HB VAL A 100 4.541 -19.565 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.778 -20.259 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.971 -18.490 4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.604 -19.258 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.253 -21.617 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.108 -20.677 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.803 -20.838 1.430 1.00 0.00 H new ATOM 1296 N LEU A 101 3.260 -16.205 3.514 1.00 0.00 N ATOM 1297 CA LEU A 101 3.831 -15.073 4.214 1.00 0.00 C ATOM 1298 C LEU A 101 4.792 -15.512 5.295 1.00 0.00 C ATOM 1299 O LEU A 101 4.463 -16.338 6.151 1.00 0.00 O ATOM 1300 CB LEU A 101 2.739 -14.206 4.812 1.00 0.00 C ATOM 1301 CG LEU A 101 2.425 -12.964 4.000 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.411 -12.105 4.720 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.694 -12.179 3.734 1.00 0.00 C ATOM 0 H LEU A 101 2.245 -16.277 3.579 1.00 0.00 H new ATOM 0 HA LEU A 101 4.390 -14.488 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.831 -14.801 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.037 -13.905 5.817 1.00 0.00 H new ATOM 0 HG LEU A 101 1.998 -13.269 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.197 -11.218 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.493 -12.673 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.811 -11.804 5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.456 -11.290 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.143 -11.882 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.396 -12.800 3.179 1.00 0.00 H new ATOM 1315 N THR A 102 5.981 -14.952 5.239 1.00 0.00 N ATOM 1316 CA THR A 102 7.009 -15.245 6.218 1.00 0.00 C ATOM 1317 C THR A 102 7.355 -13.996 7.000 1.00 0.00 C ATOM 1318 O THR A 102 7.555 -14.034 8.217 1.00 0.00 O ATOM 1319 CB THR A 102 8.268 -15.798 5.542 1.00 0.00 C ATOM 1320 OG1 THR A 102 8.788 -14.852 4.603 1.00 0.00 O ATOM 1321 CG2 THR A 102 7.920 -17.074 4.822 1.00 0.00 C ATOM 0 H THR A 102 6.263 -14.286 4.520 1.00 0.00 H new ATOM 0 HA THR A 102 6.622 -16.002 6.900 1.00 0.00 H new ATOM 0 HB THR A 102 9.025 -15.990 6.303 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.635 -15.184 4.239 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.811 -17.474 4.338 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.538 -17.803 5.537 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.159 -16.871 4.069 1.00 0.00 H new ATOM 1329 N ASN A 103 7.409 -12.885 6.290 1.00 0.00 N ATOM 1330 CA ASN A 103 7.673 -11.598 6.931 1.00 0.00 C ATOM 1331 C ASN A 103 6.903 -10.463 6.264 1.00 0.00 C ATOM 1332 O ASN A 103 6.620 -10.499 5.065 1.00 0.00 O ATOM 1333 CB ASN A 103 9.166 -11.263 6.909 1.00 0.00 C ATOM 1334 CG ASN A 103 9.507 -10.107 7.837 1.00 0.00 C ATOM 1335 OD1 ASN A 103 8.904 -9.948 8.901 1.00 0.00 O ATOM 1336 ND2 ASN A 103 10.453 -9.277 7.436 1.00 0.00 N ATOM 0 H ASN A 103 7.276 -12.840 5.280 1.00 0.00 H new ATOM 0 HA ASN A 103 7.337 -11.694 7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.739 -12.143 7.201 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.466 -11.011 5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.705 -8.474 8.013 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.931 -9.439 6.550 1.00 0.00 H new ATOM 1343 N ILE A 104 6.564 -9.466 7.066 1.00 0.00 N ATOM 1344 CA ILE A 104 5.956 -8.241 6.572 1.00 0.00 C ATOM 1345 C ILE A 104 6.952 -7.103 6.774 1.00 0.00 C ATOM 1346 O ILE A 104 7.006 -6.514 7.855 1.00 0.00 O ATOM 1347 CB ILE A 104 4.662 -7.870 7.345 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.872 -9.113 7.787 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.785 -6.942 6.506 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.257 -9.916 6.667 1.00 0.00 C ATOM 0 H ILE A 104 6.702 -9.483 8.076 1.00 0.00 H new ATOM 0 HA ILE A 104 5.700 -8.395 5.524 1.00 0.00 H new ATOM 0 HB ILE A 104 4.965 -7.345 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.537 -9.763 8.356 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.079 -8.797 8.464 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.882 -6.692 7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.335 -6.029 6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.511 -7.442 5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.722 -10.770 7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.561 -9.289 6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.042 -10.270 5.999 1.00 0.00 H new ATOM 1362 N ASP A 105 7.747 -6.798 5.760 1.00 0.00 N ATOM 1363 CA ASP A 105 8.759 -5.767 5.890 1.00 0.00 C ATOM 1364 C ASP A 105 8.139 -4.387 5.725 1.00 0.00 C ATOM 1365 O ASP A 105 7.970 -3.898 4.611 1.00 0.00 O ATOM 1366 CB ASP A 105 9.861 -5.959 4.843 1.00 0.00 C ATOM 1367 CG ASP A 105 10.677 -7.218 5.049 1.00 0.00 C ATOM 1368 OD1 ASP A 105 10.202 -8.311 4.672 1.00 0.00 O ATOM 1369 OD2 ASP A 105 11.816 -7.120 5.555 1.00 0.00 O ATOM 0 H ASP A 105 7.710 -7.247 4.845 1.00 0.00 H new ATOM 0 HA ASP A 105 9.195 -5.847 6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.409 -5.987 3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.527 -5.096 4.865 1.00 0.00 H new ATOM 1374 N ASN A 106 7.802 -3.757 6.835 1.00 0.00 N ATOM 1375 CA ASN A 106 7.255 -2.421 6.808 1.00 0.00 C ATOM 1376 C ASN A 106 8.286 -1.422 7.291 1.00 0.00 C ATOM 1377 O ASN A 106 8.539 -1.280 8.488 1.00 0.00 O ATOM 1378 CB ASN A 106 5.978 -2.335 7.647 1.00 0.00 C ATOM 1379 CG ASN A 106 6.116 -2.894 9.058 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.878 -3.827 9.313 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.376 -2.323 9.992 1.00 0.00 N ATOM 0 H ASN A 106 7.900 -4.155 7.769 1.00 0.00 H new ATOM 0 HA ASN A 106 6.993 -2.177 5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.669 -1.292 7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.182 -2.873 7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.427 -2.653 10.956 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.754 -1.552 9.749 1.00 0.00 H new ATOM 1388 N LYS A 107 8.869 -0.729 6.339 1.00 0.00 N ATOM 1389 CA LYS A 107 9.926 0.222 6.607 1.00 0.00 C ATOM 1390 C LYS A 107 9.897 1.300 5.527 1.00 0.00 C ATOM 1391 O LYS A 107 9.189 1.147 4.538 1.00 0.00 O ATOM 1392 CB LYS A 107 11.279 -0.495 6.599 1.00 0.00 C ATOM 1393 CG LYS A 107 11.820 -0.743 5.206 1.00 0.00 C ATOM 1394 CD LYS A 107 11.064 -1.838 4.473 1.00 0.00 C ATOM 1395 CE LYS A 107 11.534 -1.965 3.034 1.00 0.00 C ATOM 1396 NZ LYS A 107 11.277 -0.729 2.242 1.00 0.00 N ATOM 0 H LYS A 107 8.623 -0.809 5.352 1.00 0.00 H new ATOM 0 HA LYS A 107 9.780 0.679 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.000 0.099 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.180 -1.449 7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.765 0.180 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.873 -1.015 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.205 -2.788 4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.996 -1.620 4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.601 -2.186 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.028 -2.807 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.488 -0.909 1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.279 -0.454 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.884 0.040 2.591 1.00 0.00 H new ATOM 1410 N PRO A 108 10.668 2.386 5.667 1.00 0.00 N ATOM 1411 CA PRO A 108 10.662 3.456 4.679 1.00 0.00 C ATOM 1412 C PRO A 108 11.332 3.032 3.375 1.00 0.00 C ATOM 1413 O PRO A 108 12.117 2.077 3.340 1.00 0.00 O ATOM 1414 CB PRO A 108 11.446 4.587 5.349 1.00 0.00 C ATOM 1415 CG PRO A 108 12.282 3.939 6.399 1.00 0.00 C ATOM 1416 CD PRO A 108 11.607 2.644 6.770 1.00 0.00 C ATOM 0 HA PRO A 108 9.649 3.746 4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 108 12.068 5.114 4.625 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.772 5.324 5.786 1.00 0.00 H new ATOM 0 HG2 PRO A 108 13.290 3.755 6.028 1.00 0.00 H new ATOM 0 HG3 PRO A 108 12.376 4.587 7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 108 12.330 1.835 6.872 1.00 0.00 H new ATOM 0 HD3 PRO A 108 11.085 2.728 7.723 1.00 0.00 H new ATOM 1424 N ALA A 109 10.975 3.715 2.299 1.00 0.00 N ATOM 1425 CA ALA A 109 11.607 3.511 1.009 1.00 0.00 C ATOM 1426 C ALA A 109 13.012 4.064 1.013 1.00 0.00 C ATOM 1427 O ALA A 109 13.478 4.595 2.022 1.00 0.00 O ATOM 1428 CB ALA A 109 10.799 4.163 -0.091 1.00 0.00 C ATOM 0 H ALA A 109 10.241 4.424 2.297 1.00 0.00 H new ATOM 0 HA ALA A 109 11.652 2.438 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.290 3.998 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.800 3.728 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 109 10.724 5.234 0.099 1.00 0.00 H new ATOM 1434 N LEU A 110 13.671 3.930 -0.120 1.00 0.00 N ATOM 1435 CA LEU A 110 15.029 4.421 -0.293 1.00 0.00 C ATOM 1436 C LEU A 110 15.117 5.899 0.059 1.00 0.00 C ATOM 1437 O LEU A 110 14.720 6.769 -0.718 1.00 0.00 O ATOM 1438 CB LEU A 110 15.470 4.196 -1.727 1.00 0.00 C ATOM 1439 CG LEU A 110 15.145 2.805 -2.274 1.00 0.00 C ATOM 1440 CD1 LEU A 110 15.452 2.735 -3.757 1.00 0.00 C ATOM 1441 CD2 LEU A 110 15.948 1.746 -1.543 1.00 0.00 C ATOM 0 H LEU A 110 13.283 3.478 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 110 15.690 3.873 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 110 14.995 4.944 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.546 4.358 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 110 14.082 2.619 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 110 15.215 1.739 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 110 14.852 3.474 -4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 110 16.510 2.942 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 110 15.704 0.763 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 110 17.012 1.939 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 110 15.705 1.774 -0.481 1.00 0.00 H new ATOM 1453 N SER A 111 15.629 6.162 1.242 1.00 0.00 N ATOM 1454 CA SER A 111 15.684 7.506 1.777 1.00 0.00 C ATOM 1455 C SER A 111 17.118 7.994 1.850 1.00 0.00 C ATOM 1456 O SER A 111 17.394 9.196 1.808 1.00 0.00 O ATOM 1457 CB SER A 111 15.029 7.541 3.164 1.00 0.00 C ATOM 1458 OG SER A 111 14.920 8.866 3.662 1.00 0.00 O ATOM 0 H SER A 111 16.019 5.451 1.860 1.00 0.00 H new ATOM 0 HA SER A 111 15.135 8.173 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.038 7.090 3.109 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.615 6.939 3.858 1.00 0.00 H new ATOM 0 HG SER A 111 14.412 9.413 3.027 1.00 0.00 H new ATOM 1464 N GLY A 112 18.019 7.045 1.925 1.00 0.00 N ATOM 1465 CA GLY A 112 19.425 7.350 2.049 1.00 0.00 C ATOM 1466 C GLY A 112 20.039 6.661 3.246 1.00 0.00 C ATOM 1467 O GLY A 112 19.336 6.290 4.187 1.00 0.00 O ATOM 0 H GLY A 112 17.802 6.049 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 112 19.946 7.041 1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 112 19.558 8.428 2.141 1.00 0.00 H new ATOM 1471 N ASN A 113 21.346 6.486 3.216 1.00 0.00 N ATOM 1472 CA ASN A 113 22.041 5.799 4.289 1.00 0.00 C ATOM 1473 C ASN A 113 23.425 6.395 4.475 1.00 0.00 C ATOM 1474 O ASN A 113 24.328 6.057 3.681 1.00 0.00 O ATOM 1475 CB ASN A 113 22.149 4.300 3.988 1.00 0.00 C ATOM 1476 CG ASN A 113 22.535 3.494 5.212 1.00 0.00 C ATOM 1477 OD1 ASN A 113 21.671 3.013 5.945 1.00 0.00 O ATOM 1478 ND2 ASN A 113 23.827 3.342 5.444 1.00 0.00 N ATOM 1479 OXT ASN A 113 23.607 7.204 5.405 1.00 0.00 O ATOM 0 H ASN A 113 21.949 6.810 2.460 1.00 0.00 H new ATOM 0 HA ASN A 113 21.471 5.926 5.210 1.00 0.00 H new ATOM 0 HB2 ASN A 113 21.195 3.939 3.604 1.00 0.00 H new ATOM 0 HB3 ASN A 113 22.889 4.142 3.203 1.00 0.00 H new ATOM 0 HD21 ASN A 113 24.140 2.810 6.256 1.00 0.00 H new ATOM 0 HD22 ASN A 113 24.511 3.757 4.811 1.00 0.00 H new TER 1486 ASN A 113