USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1081 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 77 HIS : no HD1:sc= -0.574 K(o=0.72,f=-6.9!) USER MOD Set 1.2: B 159 THR OG1 : rot -43:sc= 1.3 USER MOD Set 2.1: A 112 THR OG1 : rot 180:sc= 0.396 USER MOD Set 2.2: A 113 SER OG : rot 43:sc= 0.0554 USER MOD Set 3.1: A 18 THR OG1 : rot -119:sc= -0.742! USER MOD Set 3.2: A 57 LYS NZ :NH3+ -170:sc= 0.717 (180deg=-0.0556) USER MOD Single : A 1 LYS NZ :NH3+ 170:sc=-0.00934 (180deg=-0.0832) USER MOD Single : A 5 THR OG1 : rot -43:sc= 0.548 USER MOD Single : A 7 ASN : amide:sc= 0.912 K(o=0.91,f=-1.2) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ 145:sc= 0.161 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 127:sc= -0.116 (180deg=-0.536) USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= -0.587 (180deg=-0.682) USER MOD Single : A 23 SER OG : rot 180:sc= 0.467 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -2.42! USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 1:sc= 0.763 USER MOD Single : A 58 MET CE :methyl 150:sc= -0.813 (180deg=-2.08) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.256 USER MOD Single : A 66 SER OG : rot 121:sc= 1.12 USER MOD Single : A 68 ASN :FLIP amide:sc= -10.8! C(o=-15!,f=-11!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot -53:sc= 0.14 USER MOD Single : A 75 HIS : no HE2:sc= -1.55 K(o=-1.6,f=-5.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.035) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.189) USER MOD Single : A 85 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.2) USER MOD Single : A 86 SER OG : rot 98:sc= 1.23 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -14:sc= -1.36 USER MOD Single : A 101 TYR OH : rot 142:sc= 1.04 USER MOD Single : A 111 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 152 SER OG : rot 180:sc= 0 USER MOD Single : B 153 SER OG : rot 0:sc= 0.571 USER MOD Single : B 155 THR OG1 : rot 180:sc= 0 USER MOD Single : B 160 GLN :FLIP amide:sc= -0.0938 F(o=-1.6!,f=-0.094) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 112.789 14.829 -12.562 1.00 0.00 N ATOM 2 CA GLY A -3 113.993 14.361 -13.241 1.00 0.00 C ATOM 3 C GLY A -3 114.006 12.869 -13.255 1.00 0.00 C ATOM 4 O GLY A -3 113.359 12.259 -12.406 1.00 0.00 O ATOM 0 H1 GLY A -3 113.004 15.699 -12.034 1.00 0.00 H new ATOM 0 H2 GLY A -3 112.048 15.025 -13.265 1.00 0.00 H new ATOM 0 H3 GLY A -3 112.456 14.097 -11.903 1.00 0.00 H new ATOM 0 HA2 GLY A -3 114.022 14.745 -14.261 1.00 0.00 H new ATOM 0 HA3 GLY A -3 114.880 14.739 -12.733 1.00 0.00 H new ATOM 10 N ALA A -2 114.698 12.260 -14.205 1.00 0.00 N ATOM 11 CA ALA A -2 114.770 10.821 -14.246 1.00 0.00 C ATOM 12 C ALA A -2 116.056 10.306 -14.889 1.00 0.00 C ATOM 13 O ALA A -2 117.009 10.022 -14.204 1.00 0.00 O ATOM 14 CB ALA A -2 113.536 10.218 -14.927 1.00 0.00 C ATOM 0 H ALA A -2 115.210 12.739 -14.946 1.00 0.00 H new ATOM 0 HA ALA A -2 114.786 10.489 -13.208 1.00 0.00 H new ATOM 0 HB1 ALA A -2 113.623 9.132 -14.941 1.00 0.00 H new ATOM 0 HB2 ALA A -2 112.640 10.504 -14.376 1.00 0.00 H new ATOM 0 HB3 ALA A -2 113.467 10.590 -15.949 1.00 0.00 H new ATOM 20 N MET A -1 116.096 10.305 -16.204 1.00 0.00 N ATOM 21 CA MET A -1 117.138 9.607 -16.978 1.00 0.00 C ATOM 22 C MET A -1 118.574 10.043 -16.684 1.00 0.00 C ATOM 23 O MET A -1 118.951 11.201 -16.900 1.00 0.00 O ATOM 24 CB MET A -1 116.839 9.638 -18.478 1.00 0.00 C ATOM 25 CG MET A -1 117.811 8.824 -19.327 1.00 0.00 C ATOM 26 SD MET A -1 117.468 8.957 -21.098 1.00 0.00 S ATOM 27 CE MET A -1 118.727 7.860 -21.763 1.00 0.00 C ATOM 0 H MET A -1 115.409 10.787 -16.784 1.00 0.00 H new ATOM 0 HA MET A -1 117.090 8.575 -16.630 1.00 0.00 H new ATOM 0 HB2 MET A -1 115.829 9.264 -18.643 1.00 0.00 H new ATOM 0 HB3 MET A -1 116.855 10.673 -18.819 1.00 0.00 H new ATOM 0 HG2 MET A -1 118.829 9.162 -19.132 1.00 0.00 H new ATOM 0 HG3 MET A -1 117.759 7.777 -19.028 1.00 0.00 H new ATOM 0 HE1 MET A -1 118.648 7.833 -22.850 1.00 0.00 H new ATOM 0 HE2 MET A -1 119.714 8.225 -21.480 1.00 0.00 H new ATOM 0 HE3 MET A -1 118.583 6.856 -21.363 1.00 0.00 H new ATOM 37 N GLY A 0 119.360 9.081 -16.200 1.00 0.00 N ATOM 38 CA GLY A 0 120.760 9.297 -15.880 1.00 0.00 C ATOM 39 C GLY A 0 120.966 9.420 -14.391 1.00 0.00 C ATOM 40 O GLY A 0 122.098 9.491 -13.894 1.00 0.00 O ATOM 0 H GLY A 0 119.037 8.130 -16.021 1.00 0.00 H new ATOM 0 HA2 GLY A 0 121.356 8.469 -16.265 1.00 0.00 H new ATOM 0 HA3 GLY A 0 121.114 10.202 -16.375 1.00 0.00 H new ATOM 44 N LYS A 1 119.866 9.469 -13.684 1.00 0.00 N ATOM 45 CA LYS A 1 119.831 9.643 -12.251 1.00 0.00 C ATOM 46 C LYS A 1 118.686 8.784 -11.739 1.00 0.00 C ATOM 47 O LYS A 1 117.985 8.164 -12.539 1.00 0.00 O ATOM 48 CB LYS A 1 119.474 11.120 -11.880 1.00 0.00 C ATOM 49 CG LYS A 1 120.406 12.253 -12.331 1.00 0.00 C ATOM 50 CD LYS A 1 120.336 12.561 -13.831 1.00 0.00 C ATOM 51 CE LYS A 1 118.909 12.852 -14.297 1.00 0.00 C ATOM 52 NZ LYS A 1 118.280 13.928 -13.514 1.00 0.00 N ATOM 0 H LYS A 1 118.939 9.386 -14.102 1.00 0.00 H new ATOM 0 HA LYS A 1 120.800 9.381 -11.827 1.00 0.00 H new ATOM 0 HB2 LYS A 1 118.484 11.329 -12.285 1.00 0.00 H new ATOM 0 HB3 LYS A 1 119.393 11.175 -10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 1 120.158 13.156 -11.774 1.00 0.00 H new ATOM 0 HG3 LYS A 1 121.432 11.990 -12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 1 120.971 13.419 -14.054 1.00 0.00 H new ATOM 0 HD3 LYS A 1 120.734 11.716 -14.392 1.00 0.00 H new ATOM 0 HE2 LYS A 1 118.922 13.131 -15.351 1.00 0.00 H new ATOM 0 HE3 LYS A 1 118.309 11.946 -14.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 117.386 14.209 -13.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 118.089 13.589 -12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 118.920 14.747 -13.473 1.00 0.00 H new ATOM 66 N PRO A 2 118.504 8.664 -10.434 1.00 0.00 N ATOM 67 CA PRO A 2 117.282 8.126 -9.907 1.00 0.00 C ATOM 68 C PRO A 2 116.278 9.268 -9.784 1.00 0.00 C ATOM 69 O PRO A 2 116.662 10.456 -9.740 1.00 0.00 O ATOM 70 CB PRO A 2 117.675 7.570 -8.533 1.00 0.00 C ATOM 71 CG PRO A 2 118.943 8.273 -8.142 1.00 0.00 C ATOM 72 CD PRO A 2 119.484 8.975 -9.366 1.00 0.00 C ATOM 0 HA PRO A 2 116.826 7.353 -10.526 1.00 0.00 H new ATOM 0 HB2 PRO A 2 116.888 7.751 -7.801 1.00 0.00 H new ATOM 0 HB3 PRO A 2 117.826 6.492 -8.579 1.00 0.00 H new ATOM 0 HG2 PRO A 2 118.750 8.991 -7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 2 119.672 7.559 -7.759 1.00 0.00 H new ATOM 0 HD2 PRO A 2 119.567 10.050 -9.203 1.00 0.00 H new ATOM 0 HD3 PRO A 2 120.480 8.614 -9.623 1.00 0.00 H new ATOM 80 N PHE A 3 115.029 8.952 -9.802 1.00 0.00 N ATOM 81 CA PHE A 3 114.034 9.943 -9.682 1.00 0.00 C ATOM 82 C PHE A 3 113.620 10.079 -8.243 1.00 0.00 C ATOM 83 O PHE A 3 113.508 9.077 -7.514 1.00 0.00 O ATOM 84 CB PHE A 3 112.862 9.689 -10.641 1.00 0.00 C ATOM 85 CG PHE A 3 112.344 8.310 -10.661 1.00 0.00 C ATOM 86 CD1 PHE A 3 111.560 7.878 -9.654 1.00 0.00 C ATOM 87 CD2 PHE A 3 112.625 7.456 -11.712 1.00 0.00 C ATOM 88 CE1 PHE A 3 111.050 6.632 -9.647 1.00 0.00 C ATOM 89 CE2 PHE A 3 112.115 6.179 -11.726 1.00 0.00 C ATOM 90 CZ PHE A 3 111.317 5.763 -10.684 1.00 0.00 C ATOM 0 H PHE A 3 114.676 8.000 -9.900 1.00 0.00 H new ATOM 0 HA PHE A 3 114.445 10.905 -9.988 1.00 0.00 H new ATOM 0 HB2 PHE A 3 112.046 10.361 -10.375 1.00 0.00 H new ATOM 0 HB3 PHE A 3 113.177 9.954 -11.650 1.00 0.00 H new ATOM 0 HD1 PHE A 3 111.336 8.545 -8.835 1.00 0.00 H new ATOM 0 HD2 PHE A 3 113.249 7.794 -12.526 1.00 0.00 H new ATOM 0 HE1 PHE A 3 110.428 6.311 -8.824 1.00 0.00 H new ATOM 0 HE2 PHE A 3 112.338 5.510 -12.544 1.00 0.00 H new ATOM 0 HZ PHE A 3 110.904 4.765 -10.679 1.00 0.00 H new ATOM 100 N PHE A 4 113.458 11.291 -7.834 1.00 0.00 N ATOM 101 CA PHE A 4 113.135 11.606 -6.481 1.00 0.00 C ATOM 102 C PHE A 4 112.150 12.745 -6.384 1.00 0.00 C ATOM 103 O PHE A 4 112.293 13.787 -7.041 1.00 0.00 O ATOM 104 CB PHE A 4 114.401 11.982 -5.670 1.00 0.00 C ATOM 105 CG PHE A 4 114.091 12.732 -4.380 1.00 0.00 C ATOM 106 CD1 PHE A 4 113.801 12.066 -3.218 1.00 0.00 C ATOM 107 CD2 PHE A 4 114.022 14.126 -4.379 1.00 0.00 C ATOM 108 CE1 PHE A 4 113.462 12.763 -2.077 1.00 0.00 C ATOM 109 CE2 PHE A 4 113.675 14.817 -3.255 1.00 0.00 C ATOM 110 CZ PHE A 4 113.395 14.138 -2.095 1.00 0.00 C ATOM 0 H PHE A 4 113.548 12.107 -8.440 1.00 0.00 H new ATOM 0 HA PHE A 4 112.683 10.707 -6.063 1.00 0.00 H new ATOM 0 HB2 PHE A 4 114.953 11.073 -5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 4 115.053 12.596 -6.291 1.00 0.00 H new ATOM 0 HD1 PHE A 4 113.838 10.987 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 4 114.248 14.668 -5.285 1.00 0.00 H new ATOM 0 HE1 PHE A 4 113.248 12.227 -1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 4 113.621 15.895 -3.278 1.00 0.00 H new ATOM 0 HZ PHE A 4 113.124 14.680 -1.201 1.00 0.00 H new ATOM 120 N THR A 5 111.175 12.511 -5.595 1.00 0.00 N ATOM 121 CA THR A 5 110.270 13.487 -5.086 1.00 0.00 C ATOM 122 C THR A 5 109.451 12.839 -3.985 1.00 0.00 C ATOM 123 O THR A 5 108.286 13.170 -3.766 1.00 0.00 O ATOM 124 CB THR A 5 109.402 14.186 -6.188 1.00 0.00 C ATOM 125 OG1 THR A 5 108.561 15.204 -5.614 1.00 0.00 O ATOM 126 CG2 THR A 5 108.547 13.201 -6.967 1.00 0.00 C ATOM 0 H THR A 5 110.966 11.571 -5.259 1.00 0.00 H new ATOM 0 HA THR A 5 110.841 14.317 -4.669 1.00 0.00 H new ATOM 0 HB THR A 5 110.104 14.644 -6.885 1.00 0.00 H new ATOM 0 HG1 THR A 5 108.167 14.871 -4.781 1.00 0.00 H new ATOM 0 HG21 THR A 5 107.966 13.737 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 5 109.190 12.471 -7.459 1.00 0.00 H new ATOM 0 HG23 THR A 5 107.871 12.687 -6.284 1.00 0.00 H new ATOM 134 N ARG A 6 110.138 11.891 -3.270 1.00 0.00 N ATOM 135 CA ARG A 6 109.617 11.093 -2.135 1.00 0.00 C ATOM 136 C ARG A 6 108.221 10.602 -2.352 1.00 0.00 C ATOM 137 O ARG A 6 107.329 10.676 -1.495 1.00 0.00 O ATOM 138 CB ARG A 6 109.756 11.807 -0.854 1.00 0.00 C ATOM 139 CG ARG A 6 109.036 13.110 -0.778 1.00 0.00 C ATOM 140 CD ARG A 6 109.059 13.529 0.593 1.00 0.00 C ATOM 141 NE ARG A 6 108.383 14.800 0.810 1.00 0.00 N ATOM 142 CZ ARG A 6 108.127 15.333 2.003 1.00 0.00 C ATOM 143 NH1 ARG A 6 108.527 14.715 3.112 1.00 0.00 N ATOM 144 NH2 ARG A 6 107.482 16.486 2.080 1.00 0.00 N ATOM 0 H ARG A 6 111.108 11.661 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 6 110.242 10.202 -2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 6 109.393 11.161 -0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 6 110.815 11.983 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 6 109.516 13.853 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 6 108.010 13.004 -1.130 1.00 0.00 H new ATOM 0 HD2 ARG A 6 108.588 12.763 1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 6 110.094 13.613 0.924 1.00 0.00 H new ATOM 0 HE ARG A 6 108.083 15.321 -0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 6 109.031 13.831 3.049 1.00 0.00 H new ATOM 0 HH12 ARG A 6 108.329 15.126 4.024 1.00 0.00 H new ATOM 0 HH21 ARG A 6 107.184 16.961 1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 6 107.283 16.899 2.991 1.00 0.00 H new ATOM 158 N ASN A 7 108.047 10.177 -3.486 1.00 0.00 N ATOM 159 CA ASN A 7 106.815 9.574 -3.933 1.00 0.00 C ATOM 160 C ASN A 7 106.947 8.088 -4.237 1.00 0.00 C ATOM 161 O ASN A 7 107.677 7.659 -5.125 1.00 0.00 O ATOM 162 CB ASN A 7 106.261 10.297 -5.152 1.00 0.00 C ATOM 163 CG ASN A 7 105.233 11.346 -4.802 1.00 0.00 C ATOM 164 OD1 ASN A 7 104.035 11.066 -4.754 1.00 0.00 O ATOM 165 ND2 ASN A 7 105.672 12.530 -4.521 1.00 0.00 N ATOM 0 H ASN A 7 108.765 10.216 -4.209 1.00 0.00 H new ATOM 0 HA ASN A 7 106.120 9.674 -3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 7 107.082 10.768 -5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 7 105.812 9.568 -5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 7 105.019 13.265 -4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 7 106.671 12.729 -4.571 1.00 0.00 H new ATOM 172 N PRO A 8 106.184 7.253 -3.521 1.00 0.00 N ATOM 173 CA PRO A 8 106.112 5.817 -3.825 1.00 0.00 C ATOM 174 C PRO A 8 105.592 5.656 -5.195 1.00 0.00 C ATOM 175 O PRO A 8 105.919 4.756 -5.949 1.00 0.00 O ATOM 176 CB PRO A 8 104.975 5.355 -2.997 1.00 0.00 C ATOM 177 CG PRO A 8 104.685 6.358 -1.964 1.00 0.00 C ATOM 178 CD PRO A 8 105.345 7.622 -2.351 1.00 0.00 C ATOM 0 HA PRO A 8 107.071 5.320 -3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 8 104.096 5.196 -3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 8 105.214 4.398 -2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 8 103.609 6.505 -1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 8 105.049 6.021 -0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 8 104.615 8.389 -2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 8 105.950 8.021 -1.537 1.00 0.00 H new ATOM 186 N SER A 9 104.708 6.525 -5.422 1.00 0.00 N ATOM 187 CA SER A 9 103.975 6.666 -6.542 1.00 0.00 C ATOM 188 C SER A 9 104.851 7.043 -7.787 1.00 0.00 C ATOM 189 O SER A 9 104.452 6.786 -8.928 1.00 0.00 O ATOM 190 CB SER A 9 102.989 7.716 -6.186 1.00 0.00 C ATOM 191 OG SER A 9 102.181 7.277 -5.101 1.00 0.00 O ATOM 0 H SER A 9 104.471 7.230 -4.724 1.00 0.00 H new ATOM 0 HA SER A 9 103.492 5.738 -6.848 1.00 0.00 H new ATOM 0 HB2 SER A 9 103.507 8.636 -5.915 1.00 0.00 H new ATOM 0 HB3 SER A 9 102.362 7.945 -7.048 1.00 0.00 H new ATOM 0 HG SER A 9 101.534 7.976 -4.871 1.00 0.00 H new ATOM 197 N GLU A 10 106.047 7.647 -7.566 1.00 0.00 N ATOM 198 CA GLU A 10 106.942 7.953 -8.685 1.00 0.00 C ATOM 199 C GLU A 10 107.678 6.685 -9.022 1.00 0.00 C ATOM 200 O GLU A 10 107.962 6.411 -10.189 1.00 0.00 O ATOM 201 CB GLU A 10 107.953 9.105 -8.369 1.00 0.00 C ATOM 202 CG GLU A 10 109.029 8.758 -7.360 1.00 0.00 C ATOM 203 CD GLU A 10 109.817 9.933 -6.932 1.00 0.00 C ATOM 204 OE1 GLU A 10 110.386 10.615 -7.801 1.00 0.00 O ATOM 205 OE2 GLU A 10 109.841 10.228 -5.703 1.00 0.00 O ATOM 0 H GLU A 10 106.396 7.921 -6.648 1.00 0.00 H new ATOM 0 HA GLU A 10 106.348 8.311 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 10 108.433 9.411 -9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 10 107.395 9.966 -8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 10 108.566 8.299 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 10 109.699 8.015 -7.792 1.00 0.00 H new ATOM 212 N LEU A 11 107.964 5.902 -7.973 1.00 0.00 N ATOM 213 CA LEU A 11 108.625 4.623 -8.101 1.00 0.00 C ATOM 214 C LEU A 11 107.892 3.699 -9.037 1.00 0.00 C ATOM 215 O LEU A 11 106.660 3.518 -8.979 1.00 0.00 O ATOM 216 CB LEU A 11 108.869 3.998 -6.740 1.00 0.00 C ATOM 217 CG LEU A 11 109.891 4.732 -5.866 1.00 0.00 C ATOM 218 CD1 LEU A 11 109.916 4.138 -4.487 1.00 0.00 C ATOM 219 CD2 LEU A 11 111.280 4.643 -6.482 1.00 0.00 C ATOM 0 H LEU A 11 107.736 6.152 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 11 109.601 4.798 -8.554 1.00 0.00 H new ATOM 0 HB2 LEU A 11 107.922 3.950 -6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 11 109.206 2.971 -6.883 1.00 0.00 H new ATOM 0 HG LEU A 11 109.597 5.780 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 11 110.646 4.668 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 11 108.929 4.229 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 11 110.191 3.085 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 11 111.994 5.170 -5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 11 111.574 3.597 -6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 11 111.269 5.099 -7.472 1.00 0.00 H new ATOM 231 N LYS A 12 108.669 3.171 -9.934 1.00 0.00 N ATOM 232 CA LYS A 12 108.219 2.324 -11.010 1.00 0.00 C ATOM 233 C LYS A 12 107.792 0.949 -10.524 1.00 0.00 C ATOM 234 O LYS A 12 107.984 0.603 -9.362 1.00 0.00 O ATOM 235 CB LYS A 12 109.312 2.191 -12.047 1.00 0.00 C ATOM 236 CG LYS A 12 110.546 1.537 -11.501 1.00 0.00 C ATOM 237 CD LYS A 12 111.561 1.237 -12.583 1.00 0.00 C ATOM 238 CE LYS A 12 112.177 2.512 -13.150 1.00 0.00 C ATOM 239 NZ LYS A 12 113.137 2.235 -14.232 1.00 0.00 N ATOM 0 H LYS A 12 109.678 3.322 -9.941 1.00 0.00 H new ATOM 0 HA LYS A 12 107.342 2.795 -11.453 1.00 0.00 H new ATOM 0 HB2 LYS A 12 108.939 1.609 -12.890 1.00 0.00 H new ATOM 0 HB3 LYS A 12 109.568 3.179 -12.430 1.00 0.00 H new ATOM 0 HG2 LYS A 12 110.998 2.187 -10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 12 110.271 0.611 -10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 12 112.348 0.602 -12.177 1.00 0.00 H new ATOM 0 HD3 LYS A 12 111.082 0.676 -13.386 1.00 0.00 H new ATOM 0 HE2 LYS A 12 111.385 3.159 -13.527 1.00 0.00 H new ATOM 0 HE3 LYS A 12 112.680 3.056 -12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 113.529 3.131 -14.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 113.908 1.639 -13.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 112.653 1.739 -15.007 1.00 0.00 H new ATOM 253 N GLY A 13 107.251 0.172 -11.435 1.00 0.00 N ATOM 254 CA GLY A 13 106.754 -1.127 -11.106 1.00 0.00 C ATOM 255 C GLY A 13 105.415 -1.036 -10.434 1.00 0.00 C ATOM 256 O GLY A 13 104.478 -0.447 -10.973 1.00 0.00 O ATOM 0 H GLY A 13 107.148 0.429 -12.417 1.00 0.00 H new ATOM 0 HA2 GLY A 13 106.670 -1.728 -12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 13 107.461 -1.635 -10.450 1.00 0.00 H new ATOM 260 N LYS A 14 105.339 -1.551 -9.252 1.00 0.00 N ATOM 261 CA LYS A 14 104.118 -1.563 -8.477 1.00 0.00 C ATOM 262 C LYS A 14 104.401 -1.124 -7.071 1.00 0.00 C ATOM 263 O LYS A 14 105.507 -1.284 -6.590 1.00 0.00 O ATOM 264 CB LYS A 14 103.434 -2.943 -8.461 1.00 0.00 C ATOM 265 CG LYS A 14 104.329 -4.090 -8.050 1.00 0.00 C ATOM 266 CD LYS A 14 105.110 -4.680 -9.219 1.00 0.00 C ATOM 267 CE LYS A 14 104.197 -5.406 -10.181 1.00 0.00 C ATOM 268 NZ LYS A 14 104.956 -6.038 -11.269 1.00 0.00 N ATOM 0 H LYS A 14 106.131 -1.986 -8.779 1.00 0.00 H new ATOM 0 HA LYS A 14 103.430 -0.868 -8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 14 102.583 -2.903 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 14 103.038 -3.148 -9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 14 105.029 -3.744 -7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 14 103.723 -4.872 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 14 105.637 -3.884 -9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 14 105.866 -5.369 -8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 14 103.629 -6.165 -9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 14 103.475 -4.705 -10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 104.300 -6.527 -11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 105.478 -5.310 -11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 105.627 -6.725 -10.870 1.00 0.00 H new ATOM 282 N PHE A 15 103.401 -0.625 -6.429 1.00 0.00 N ATOM 283 CA PHE A 15 103.480 -0.107 -5.107 1.00 0.00 C ATOM 284 C PHE A 15 102.604 -0.977 -4.255 1.00 0.00 C ATOM 285 O PHE A 15 101.382 -1.000 -4.418 1.00 0.00 O ATOM 286 CB PHE A 15 102.970 1.327 -5.144 1.00 0.00 C ATOM 287 CG PHE A 15 102.888 2.062 -3.834 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.686 1.730 -2.751 1.00 0.00 C ATOM 289 CD2 PHE A 15 102.021 3.123 -3.718 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.612 2.454 -1.573 1.00 0.00 C ATOM 291 CE2 PHE A 15 101.932 3.847 -2.552 1.00 0.00 C ATOM 292 CZ PHE A 15 102.727 3.519 -1.477 1.00 0.00 C ATOM 0 H PHE A 15 102.465 -0.564 -6.829 1.00 0.00 H new ATOM 0 HA PHE A 15 104.493 -0.105 -4.706 1.00 0.00 H new ATOM 0 HB2 PHE A 15 103.615 1.898 -5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 15 101.976 1.320 -5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 15 104.372 0.899 -2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 15 101.398 3.393 -4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 15 104.239 2.192 -0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 15 101.239 4.672 -2.480 1.00 0.00 H new ATOM 0 HZ PHE A 15 102.662 4.089 -0.562 1.00 0.00 H new ATOM 302 N ILE A 16 103.209 -1.710 -3.394 1.00 0.00 N ATOM 303 CA ILE A 16 102.516 -2.662 -2.595 1.00 0.00 C ATOM 304 C ILE A 16 102.837 -2.515 -1.152 1.00 0.00 C ATOM 305 O ILE A 16 103.895 -2.017 -0.778 1.00 0.00 O ATOM 306 CB ILE A 16 102.728 -4.138 -3.022 1.00 0.00 C ATOM 307 CG1 ILE A 16 104.219 -4.563 -3.084 1.00 0.00 C ATOM 308 CG2 ILE A 16 102.034 -4.396 -4.327 1.00 0.00 C ATOM 309 CD1 ILE A 16 104.998 -4.047 -4.299 1.00 0.00 C ATOM 0 H ILE A 16 104.213 -1.668 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 16 101.464 -2.432 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 16 102.284 -4.759 -2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 16 104.717 -4.214 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 16 104.270 -5.652 -3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.187 -5.434 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 16 100.967 -4.204 -4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.443 -3.738 -5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 16 106.028 -4.400 -4.247 1.00 0.00 H new ATOM 0 HD12 ILE A 16 104.533 -4.417 -5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 16 104.987 -2.957 -4.302 1.00 0.00 H new ATOM 321 N HIS A 17 101.916 -2.910 -0.350 1.00 0.00 N ATOM 322 CA HIS A 17 102.079 -2.855 1.055 1.00 0.00 C ATOM 323 C HIS A 17 101.820 -4.225 1.653 1.00 0.00 C ATOM 324 O HIS A 17 100.734 -4.774 1.536 1.00 0.00 O ATOM 325 CB HIS A 17 101.213 -1.724 1.666 1.00 0.00 C ATOM 326 CG HIS A 17 99.729 -1.760 1.351 1.00 0.00 C ATOM 327 ND1 HIS A 17 99.116 -0.872 0.501 1.00 0.00 N ATOM 328 CD2 HIS A 17 98.745 -2.582 1.794 1.00 0.00 C ATOM 329 CE1 HIS A 17 97.819 -1.170 0.444 1.00 0.00 C ATOM 330 NE2 HIS A 17 97.539 -2.206 1.211 1.00 0.00 N ATOM 0 H HIS A 17 101.018 -3.285 -0.655 1.00 0.00 H new ATOM 0 HA HIS A 17 103.108 -2.596 1.304 1.00 0.00 H new ATOM 0 HB2 HIS A 17 101.332 -1.751 2.749 1.00 0.00 H new ATOM 0 HB3 HIS A 17 101.611 -0.768 1.325 1.00 0.00 H new ATOM 0 HD2 HIS A 17 98.877 -3.398 2.489 1.00 0.00 H new ATOM 0 HE1 HIS A 17 97.094 -0.635 -0.151 1.00 0.00 H new ATOM 0 HE2 HIS A 17 96.627 -2.641 1.348 1.00 0.00 H new ATOM 338 N THR A 18 102.836 -4.813 2.196 1.00 0.00 N ATOM 339 CA THR A 18 102.713 -6.120 2.778 1.00 0.00 C ATOM 340 C THR A 18 103.203 -6.113 4.228 1.00 0.00 C ATOM 341 O THR A 18 104.204 -5.504 4.553 1.00 0.00 O ATOM 342 CB THR A 18 103.478 -7.185 1.928 1.00 0.00 C ATOM 343 OG1 THR A 18 103.263 -8.519 2.453 1.00 0.00 O ATOM 344 CG2 THR A 18 104.986 -6.889 1.863 1.00 0.00 C ATOM 0 H THR A 18 103.771 -4.409 2.251 1.00 0.00 H new ATOM 0 HA THR A 18 101.658 -6.395 2.780 1.00 0.00 H new ATOM 0 HB THR A 18 103.077 -7.131 0.916 1.00 0.00 H new ATOM 0 HG1 THR A 18 104.121 -8.906 2.724 1.00 0.00 H new ATOM 0 HG21 THR A 18 105.481 -7.653 1.263 1.00 0.00 H new ATOM 0 HG22 THR A 18 105.146 -5.911 1.409 1.00 0.00 H new ATOM 0 HG23 THR A 18 105.401 -6.894 2.871 1.00 0.00 H new ATOM 352 N LYS A 19 102.470 -6.770 5.082 1.00 0.00 N ATOM 353 CA LYS A 19 102.807 -6.872 6.481 1.00 0.00 C ATOM 354 C LYS A 19 103.959 -7.847 6.657 1.00 0.00 C ATOM 355 O LYS A 19 103.943 -8.949 6.102 1.00 0.00 O ATOM 356 CB LYS A 19 101.534 -7.295 7.276 1.00 0.00 C ATOM 357 CG LYS A 19 101.638 -7.503 8.816 1.00 0.00 C ATOM 358 CD LYS A 19 102.354 -8.803 9.219 1.00 0.00 C ATOM 359 CE LYS A 19 102.078 -9.176 10.668 1.00 0.00 C ATOM 360 NZ LYS A 19 100.637 -9.439 10.918 1.00 0.00 N ATOM 0 H LYS A 19 101.611 -7.257 4.827 1.00 0.00 H new ATOM 0 HA LYS A 19 103.140 -5.911 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 19 100.769 -6.540 7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.170 -8.226 6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 19 102.168 -6.657 9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 19 100.635 -7.505 9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 19 102.029 -9.614 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.428 -8.687 9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 19 102.657 -10.061 10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.416 -8.370 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.527 -10.370 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.253 -8.703 11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 100.121 -9.429 10.015 1.00 0.00 H new ATOM 374 N LEU A 20 104.946 -7.429 7.399 1.00 0.00 N ATOM 375 CA LEU A 20 106.068 -8.238 7.736 1.00 0.00 C ATOM 376 C LEU A 20 106.037 -8.407 9.205 1.00 0.00 C ATOM 377 O LEU A 20 105.895 -7.415 9.962 1.00 0.00 O ATOM 378 CB LEU A 20 107.404 -7.608 7.291 1.00 0.00 C ATOM 379 CG LEU A 20 108.199 -8.409 6.255 1.00 0.00 C ATOM 380 CD1 LEU A 20 107.375 -8.723 5.028 1.00 0.00 C ATOM 381 CD2 LEU A 20 109.459 -7.677 5.874 1.00 0.00 C ATOM 0 H LEU A 20 104.987 -6.489 7.793 1.00 0.00 H new ATOM 0 HA LEU A 20 106.005 -9.194 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 20 107.200 -6.619 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 20 108.030 -7.465 8.172 1.00 0.00 H new ATOM 0 HG LEU A 20 108.469 -9.359 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 20 107.978 -9.292 4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 20 106.503 -9.310 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 20 107.048 -7.794 4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 20 110.011 -8.261 5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 20 109.202 -6.707 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 20 110.078 -7.533 6.760 1.00 0.00 H new ATOM 393 N ARG A 21 106.070 -9.615 9.625 1.00 0.00 N ATOM 394 CA ARG A 21 106.037 -9.892 10.996 1.00 0.00 C ATOM 395 C ARG A 21 107.453 -9.894 11.518 1.00 0.00 C ATOM 396 O ARG A 21 108.210 -10.797 11.193 1.00 0.00 O ATOM 397 CB ARG A 21 105.383 -11.236 11.246 1.00 0.00 C ATOM 398 CG ARG A 21 105.189 -11.546 12.709 1.00 0.00 C ATOM 399 CD ARG A 21 104.549 -12.896 12.886 1.00 0.00 C ATOM 400 NE ARG A 21 104.223 -13.168 14.285 1.00 0.00 N ATOM 401 CZ ARG A 21 103.766 -14.333 14.748 1.00 0.00 C ATOM 402 NH1 ARG A 21 103.614 -15.369 13.919 1.00 0.00 N ATOM 403 NH2 ARG A 21 103.451 -14.456 16.037 1.00 0.00 N ATOM 0 H ARG A 21 106.121 -10.436 9.021 1.00 0.00 H new ATOM 0 HA ARG A 21 105.452 -9.131 11.513 1.00 0.00 H new ATOM 0 HB2 ARG A 21 104.415 -11.259 10.746 1.00 0.00 H new ATOM 0 HB3 ARG A 21 105.993 -12.018 10.795 1.00 0.00 H new ATOM 0 HG2 ARG A 21 106.151 -11.524 13.221 1.00 0.00 H new ATOM 0 HG3 ARG A 21 104.565 -10.779 13.169 1.00 0.00 H new ATOM 0 HD2 ARG A 21 103.641 -12.948 12.285 1.00 0.00 H new ATOM 0 HD3 ARG A 21 105.222 -13.668 12.514 1.00 0.00 H new ATOM 0 HE ARG A 21 104.355 -12.412 14.956 1.00 0.00 H new ATOM 0 HH11 ARG A 21 103.847 -15.270 12.931 1.00 0.00 H new ATOM 0 HH12 ARG A 21 103.265 -16.259 14.274 1.00 0.00 H new ATOM 0 HH21 ARG A 21 103.559 -13.661 16.667 1.00 0.00 H new ATOM 0 HH22 ARG A 21 103.101 -15.345 16.394 1.00 0.00 H new ATOM 417 N LYS A 22 107.816 -8.834 12.240 1.00 0.00 N ATOM 418 CA LYS A 22 109.082 -8.706 12.884 1.00 0.00 C ATOM 419 C LYS A 22 109.571 -9.956 13.503 1.00 0.00 C ATOM 420 O LYS A 22 109.017 -10.428 14.518 1.00 0.00 O ATOM 421 CB LYS A 22 109.030 -7.656 13.922 1.00 0.00 C ATOM 422 CG LYS A 22 109.405 -6.330 13.413 1.00 0.00 C ATOM 423 CD LYS A 22 108.457 -5.665 12.490 1.00 0.00 C ATOM 424 CE LYS A 22 107.492 -4.759 13.233 1.00 0.00 C ATOM 425 NZ LYS A 22 108.157 -3.577 13.852 1.00 0.00 N ATOM 0 H LYS A 22 107.206 -8.029 12.385 1.00 0.00 H new ATOM 0 HA LYS A 22 109.782 -8.440 12.092 1.00 0.00 H new ATOM 0 HB2 LYS A 22 108.022 -7.610 14.335 1.00 0.00 H new ATOM 0 HB3 LYS A 22 109.697 -7.928 14.740 1.00 0.00 H new ATOM 0 HG2 LYS A 22 109.561 -5.672 14.268 1.00 0.00 H new ATOM 0 HG3 LYS A 22 110.364 -6.423 12.903 1.00 0.00 H new ATOM 0 HD2 LYS A 22 109.013 -5.081 11.756 1.00 0.00 H new ATOM 0 HD3 LYS A 22 107.896 -6.420 11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 22 106.722 -4.415 12.543 1.00 0.00 H new ATOM 0 HE3 LYS A 22 106.989 -5.334 14.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 107.436 -2.945 14.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 108.800 -3.895 14.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 108.699 -3.065 13.127 1.00 0.00 H new ATOM 439 N SER A 23 110.643 -10.418 12.928 1.00 0.00 N ATOM 440 CA SER A 23 111.275 -11.625 13.277 1.00 0.00 C ATOM 441 C SER A 23 112.304 -11.320 14.379 1.00 0.00 C ATOM 442 O SER A 23 112.090 -10.393 15.178 1.00 0.00 O ATOM 443 CB SER A 23 111.922 -12.207 11.991 1.00 0.00 C ATOM 444 OG SER A 23 112.518 -13.482 12.205 1.00 0.00 O ATOM 0 H SER A 23 111.112 -9.927 12.167 1.00 0.00 H new ATOM 0 HA SER A 23 110.581 -12.368 13.670 1.00 0.00 H new ATOM 0 HB2 SER A 23 111.163 -12.291 11.213 1.00 0.00 H new ATOM 0 HB3 SER A 23 112.679 -11.514 11.624 1.00 0.00 H new ATOM 0 HG SER A 23 112.909 -13.805 11.367 1.00 0.00 H new ATOM 450 N SER A 24 113.371 -12.069 14.433 1.00 0.00 N ATOM 451 CA SER A 24 114.404 -11.923 15.435 1.00 0.00 C ATOM 452 C SER A 24 115.116 -10.541 15.397 1.00 0.00 C ATOM 453 O SER A 24 116.189 -10.401 14.806 1.00 0.00 O ATOM 454 CB SER A 24 115.407 -13.048 15.262 1.00 0.00 C ATOM 455 OG SER A 24 114.739 -14.307 15.249 1.00 0.00 O ATOM 0 H SER A 24 113.556 -12.819 13.766 1.00 0.00 H new ATOM 0 HA SER A 24 113.927 -11.977 16.414 1.00 0.00 H new ATOM 0 HB2 SER A 24 115.960 -12.912 14.332 1.00 0.00 H new ATOM 0 HB3 SER A 24 116.135 -13.023 16.073 1.00 0.00 H new ATOM 0 HG SER A 24 115.396 -15.025 15.135 1.00 0.00 H new ATOM 461 N ARG A 25 114.464 -9.526 15.993 1.00 0.00 N ATOM 462 CA ARG A 25 115.039 -8.204 16.197 1.00 0.00 C ATOM 463 C ARG A 25 115.292 -7.508 14.889 1.00 0.00 C ATOM 464 O ARG A 25 116.413 -7.123 14.552 1.00 0.00 O ATOM 465 CB ARG A 25 116.277 -8.295 17.069 1.00 0.00 C ATOM 466 CG ARG A 25 115.968 -8.555 18.521 1.00 0.00 C ATOM 467 CD ARG A 25 115.730 -7.263 19.231 1.00 0.00 C ATOM 468 NE ARG A 25 116.955 -6.461 19.270 1.00 0.00 N ATOM 469 CZ ARG A 25 117.037 -5.192 19.655 1.00 0.00 C ATOM 470 NH1 ARG A 25 115.935 -4.509 19.983 1.00 0.00 N ATOM 471 NH2 ARG A 25 118.225 -4.594 19.679 1.00 0.00 N ATOM 0 H ARG A 25 113.511 -9.612 16.347 1.00 0.00 H new ATOM 0 HA ARG A 25 114.317 -7.586 16.730 1.00 0.00 H new ATOM 0 HB2 ARG A 25 116.919 -9.092 16.693 1.00 0.00 H new ATOM 0 HB3 ARG A 25 116.840 -7.366 16.986 1.00 0.00 H new ATOM 0 HG2 ARG A 25 115.089 -9.193 18.606 1.00 0.00 H new ATOM 0 HG3 ARG A 25 116.796 -9.089 18.988 1.00 0.00 H new ATOM 0 HD2 ARG A 25 114.940 -6.706 18.727 1.00 0.00 H new ATOM 0 HD3 ARG A 25 115.385 -7.458 20.246 1.00 0.00 H new ATOM 0 HE ARG A 25 117.819 -6.916 18.976 1.00 0.00 H new ATOM 0 HH11 ARG A 25 115.022 -4.962 19.939 1.00 0.00 H new ATOM 0 HH12 ARG A 25 116.007 -3.535 20.277 1.00 0.00 H new ATOM 0 HH21 ARG A 25 119.061 -5.109 19.404 1.00 0.00 H new ATOM 0 HH22 ARG A 25 118.300 -3.620 19.973 1.00 0.00 H new ATOM 485 N GLY A 26 114.241 -7.388 14.150 1.00 0.00 N ATOM 486 CA GLY A 26 114.293 -6.750 12.901 1.00 0.00 C ATOM 487 C GLY A 26 113.465 -7.485 11.918 1.00 0.00 C ATOM 488 O GLY A 26 112.318 -7.889 12.212 1.00 0.00 O ATOM 0 H GLY A 26 113.318 -7.737 14.409 1.00 0.00 H new ATOM 0 HA2 GLY A 26 113.937 -5.724 12.993 1.00 0.00 H new ATOM 0 HA3 GLY A 26 115.325 -6.699 12.553 1.00 0.00 H new ATOM 492 N PHE A 27 114.031 -7.727 10.798 1.00 0.00 N ATOM 493 CA PHE A 27 113.338 -8.301 9.713 1.00 0.00 C ATOM 494 C PHE A 27 114.095 -9.483 9.139 1.00 0.00 C ATOM 495 O PHE A 27 113.889 -10.610 9.570 1.00 0.00 O ATOM 496 CB PHE A 27 113.125 -7.222 8.667 1.00 0.00 C ATOM 497 CG PHE A 27 112.146 -6.194 9.060 1.00 0.00 C ATOM 498 CD1 PHE A 27 110.783 -6.443 9.062 1.00 0.00 C ATOM 499 CD2 PHE A 27 112.600 -4.981 9.492 1.00 0.00 C ATOM 500 CE1 PHE A 27 109.905 -5.470 9.488 1.00 0.00 C ATOM 501 CE2 PHE A 27 111.745 -4.039 9.923 1.00 0.00 C ATOM 502 CZ PHE A 27 110.402 -4.271 9.925 1.00 0.00 C ATOM 0 H PHE A 27 115.013 -7.526 10.606 1.00 0.00 H new ATOM 0 HA PHE A 27 112.375 -8.684 10.050 1.00 0.00 H new ATOM 0 HB2 PHE A 27 114.080 -6.739 8.458 1.00 0.00 H new ATOM 0 HB3 PHE A 27 112.794 -7.689 7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 27 110.409 -7.400 8.730 1.00 0.00 H new ATOM 0 HD2 PHE A 27 113.660 -4.776 9.487 1.00 0.00 H new ATOM 0 HE1 PHE A 27 108.840 -5.650 9.477 1.00 0.00 H new ATOM 0 HE2 PHE A 27 112.125 -3.090 10.271 1.00 0.00 H new ATOM 0 HZ PHE A 27 109.726 -3.505 10.273 1.00 0.00 H new ATOM 512 N GLY A 28 115.033 -9.231 8.279 1.00 0.00 N ATOM 513 CA GLY A 28 115.660 -10.304 7.544 1.00 0.00 C ATOM 514 C GLY A 28 115.803 -9.973 6.077 1.00 0.00 C ATOM 515 O GLY A 28 115.324 -10.704 5.208 1.00 0.00 O ATOM 0 H GLY A 28 115.385 -8.298 8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 28 116.643 -10.508 7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 28 115.070 -11.214 7.655 1.00 0.00 H new ATOM 519 N PHE A 29 116.395 -8.851 5.806 1.00 0.00 N ATOM 520 CA PHE A 29 116.730 -8.432 4.468 1.00 0.00 C ATOM 521 C PHE A 29 117.763 -7.336 4.567 1.00 0.00 C ATOM 522 O PHE A 29 117.838 -6.657 5.579 1.00 0.00 O ATOM 523 CB PHE A 29 115.497 -8.021 3.621 1.00 0.00 C ATOM 524 CG PHE A 29 114.639 -6.929 4.203 1.00 0.00 C ATOM 525 CD1 PHE A 29 114.998 -5.605 4.065 1.00 0.00 C ATOM 526 CD2 PHE A 29 113.461 -7.230 4.856 1.00 0.00 C ATOM 527 CE1 PHE A 29 114.200 -4.594 4.565 1.00 0.00 C ATOM 528 CE2 PHE A 29 112.663 -6.226 5.365 1.00 0.00 C ATOM 529 CZ PHE A 29 113.031 -4.906 5.216 1.00 0.00 C ATOM 0 H PHE A 29 116.668 -8.180 6.524 1.00 0.00 H new ATOM 0 HA PHE A 29 117.146 -9.281 3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 29 115.845 -7.700 2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 29 114.875 -8.903 3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 29 115.918 -5.354 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 29 113.161 -8.261 4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 29 114.494 -3.562 4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 29 111.748 -6.475 5.881 1.00 0.00 H new ATOM 0 HZ PHE A 29 112.403 -4.120 5.609 1.00 0.00 H new ATOM 539 N THR A 30 118.580 -7.192 3.595 1.00 0.00 N ATOM 540 CA THR A 30 119.556 -6.160 3.635 1.00 0.00 C ATOM 541 C THR A 30 119.249 -5.113 2.582 1.00 0.00 C ATOM 542 O THR A 30 118.762 -5.435 1.482 1.00 0.00 O ATOM 543 CB THR A 30 120.976 -6.727 3.520 1.00 0.00 C ATOM 544 OG1 THR A 30 121.050 -7.580 2.382 1.00 0.00 O ATOM 545 CG2 THR A 30 121.321 -7.534 4.774 1.00 0.00 C ATOM 0 H THR A 30 118.597 -7.774 2.758 1.00 0.00 H new ATOM 0 HA THR A 30 119.511 -5.666 4.606 1.00 0.00 H new ATOM 0 HB THR A 30 121.682 -5.903 3.416 1.00 0.00 H new ATOM 0 HG1 THR A 30 121.957 -7.943 2.304 1.00 0.00 H new ATOM 0 HG21 THR A 30 122.331 -7.933 4.683 1.00 0.00 H new ATOM 0 HG22 THR A 30 121.263 -6.888 5.650 1.00 0.00 H new ATOM 0 HG23 THR A 30 120.614 -8.357 4.883 1.00 0.00 H new ATOM 553 N VAL A 31 119.517 -3.886 2.919 1.00 0.00 N ATOM 554 CA VAL A 31 119.131 -2.741 2.129 1.00 0.00 C ATOM 555 C VAL A 31 120.318 -2.025 1.557 1.00 0.00 C ATOM 556 O VAL A 31 121.372 -2.012 2.147 1.00 0.00 O ATOM 557 CB VAL A 31 118.423 -1.716 3.064 1.00 0.00 C ATOM 558 CG1 VAL A 31 118.084 -0.404 2.408 1.00 0.00 C ATOM 559 CG2 VAL A 31 117.213 -2.282 3.704 1.00 0.00 C ATOM 0 H VAL A 31 120.022 -3.642 3.771 1.00 0.00 H new ATOM 0 HA VAL A 31 118.494 -3.102 1.322 1.00 0.00 H new ATOM 0 HB VAL A 31 119.168 -1.502 3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 31 117.594 0.248 3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 31 118.998 0.071 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 31 117.414 -0.580 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 31 116.755 -1.529 4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 31 116.502 -2.584 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 31 117.490 -3.150 4.303 1.00 0.00 H new ATOM 569 N VAL A 32 120.107 -1.439 0.418 1.00 0.00 N ATOM 570 CA VAL A 32 120.989 -0.485 -0.137 1.00 0.00 C ATOM 571 C VAL A 32 120.217 0.786 -0.292 1.00 0.00 C ATOM 572 O VAL A 32 119.101 0.792 -0.788 1.00 0.00 O ATOM 573 CB VAL A 32 121.555 -0.905 -1.513 1.00 0.00 C ATOM 574 CG1 VAL A 32 122.728 -1.820 -1.338 1.00 0.00 C ATOM 575 CG2 VAL A 32 120.475 -1.596 -2.335 1.00 0.00 C ATOM 0 H VAL A 32 119.288 -1.624 -0.161 1.00 0.00 H new ATOM 0 HA VAL A 32 121.846 -0.378 0.528 1.00 0.00 H new ATOM 0 HB VAL A 32 121.885 -0.010 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 32 123.115 -2.107 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 32 123.508 -1.308 -0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 32 122.416 -2.712 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 32 120.885 -1.888 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 32 120.127 -2.483 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 32 119.639 -0.912 -2.486 1.00 0.00 H new ATOM 585 N GLY A 33 120.762 1.816 0.177 1.00 0.00 N ATOM 586 CA GLY A 33 120.184 3.096 -0.022 1.00 0.00 C ATOM 587 C GLY A 33 119.900 3.722 1.284 1.00 0.00 C ATOM 588 O GLY A 33 120.782 3.690 2.153 1.00 0.00 O ATOM 0 H GLY A 33 121.628 1.816 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 33 120.861 3.726 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 33 119.264 3.005 -0.600 1.00 0.00 H new ATOM 592 N GLY A 34 118.662 4.271 1.415 1.00 0.00 N ATOM 593 CA GLY A 34 118.162 4.962 2.607 1.00 0.00 C ATOM 594 C GLY A 34 119.220 5.674 3.286 1.00 0.00 C ATOM 595 O GLY A 34 119.556 5.397 4.405 1.00 0.00 O ATOM 0 H GLY A 34 117.973 4.237 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 34 117.376 5.661 2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 34 117.713 4.238 3.288 1.00 0.00 H new ATOM 599 N ASP A 35 119.775 6.549 2.584 1.00 0.00 N ATOM 600 CA ASP A 35 120.940 7.193 3.025 1.00 0.00 C ATOM 601 C ASP A 35 120.609 8.570 3.430 1.00 0.00 C ATOM 602 O ASP A 35 121.193 9.122 4.358 1.00 0.00 O ATOM 603 CB ASP A 35 121.947 7.141 1.884 1.00 0.00 C ATOM 604 CG ASP A 35 123.368 7.423 2.292 1.00 0.00 C ATOM 605 OD1 ASP A 35 123.658 7.500 3.482 1.00 0.00 O ATOM 606 OD2 ASP A 35 124.231 7.512 1.383 1.00 0.00 O ATOM 0 H ASP A 35 119.438 6.853 1.670 1.00 0.00 H new ATOM 0 HA ASP A 35 121.376 6.705 3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 35 121.904 6.154 1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 35 121.651 7.862 1.122 1.00 0.00 H new ATOM 611 N GLU A 36 119.598 9.109 2.790 1.00 0.00 N ATOM 612 CA GLU A 36 119.265 10.485 2.975 1.00 0.00 C ATOM 613 C GLU A 36 117.859 10.741 2.578 1.00 0.00 C ATOM 614 O GLU A 36 117.225 9.844 2.063 1.00 0.00 O ATOM 615 CB GLU A 36 120.316 11.350 2.259 1.00 0.00 C ATOM 616 CG GLU A 36 120.763 10.798 0.953 1.00 0.00 C ATOM 617 CD GLU A 36 121.798 11.668 0.326 1.00 0.00 C ATOM 618 OE1 GLU A 36 121.441 12.629 -0.362 1.00 0.00 O ATOM 619 OE2 GLU A 36 122.994 11.407 0.493 1.00 0.00 O ATOM 0 H GLU A 36 118.996 8.607 2.137 1.00 0.00 H new ATOM 0 HA GLU A 36 119.303 10.764 4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 36 119.904 12.346 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 36 121.183 11.464 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 36 121.166 9.796 1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 36 119.908 10.704 0.283 1.00 0.00 H new ATOM 626 N PRO A 37 117.325 11.930 2.792 1.00 0.00 N ATOM 627 CA PRO A 37 115.936 12.255 2.444 1.00 0.00 C ATOM 628 C PRO A 37 115.736 12.127 0.955 1.00 0.00 C ATOM 629 O PRO A 37 114.669 11.783 0.460 1.00 0.00 O ATOM 630 CB PRO A 37 115.842 13.709 2.905 1.00 0.00 C ATOM 631 CG PRO A 37 116.859 13.790 3.972 1.00 0.00 C ATOM 632 CD PRO A 37 117.989 13.085 3.368 1.00 0.00 C ATOM 0 HA PRO A 37 115.183 11.608 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 37 116.054 14.404 2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 37 114.847 13.950 3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 37 117.108 14.822 4.221 1.00 0.00 H new ATOM 0 HG3 PRO A 37 116.524 13.311 4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 37 118.494 13.688 2.614 1.00 0.00 H new ATOM 0 HD3 PRO A 37 118.740 12.803 4.106 1.00 0.00 H new ATOM 640 N ASP A 38 116.821 12.299 0.295 1.00 0.00 N ATOM 641 CA ASP A 38 116.926 12.278 -1.109 1.00 0.00 C ATOM 642 C ASP A 38 117.111 10.834 -1.658 1.00 0.00 C ATOM 643 O ASP A 38 116.768 10.550 -2.803 1.00 0.00 O ATOM 644 CB ASP A 38 118.111 13.157 -1.445 1.00 0.00 C ATOM 645 CG ASP A 38 118.403 13.303 -2.920 1.00 0.00 C ATOM 646 OD1 ASP A 38 119.160 12.502 -3.495 1.00 0.00 O ATOM 647 OD2 ASP A 38 117.917 14.280 -3.525 1.00 0.00 O ATOM 0 H ASP A 38 117.715 12.469 0.755 1.00 0.00 H new ATOM 0 HA ASP A 38 116.012 12.645 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 38 117.939 14.148 -1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 38 118.995 12.751 -0.954 1.00 0.00 H new ATOM 652 N GLU A 39 117.603 9.916 -0.825 1.00 0.00 N ATOM 653 CA GLU A 39 117.886 8.569 -1.277 1.00 0.00 C ATOM 654 C GLU A 39 117.120 7.544 -0.420 1.00 0.00 C ATOM 655 O GLU A 39 117.391 7.425 0.809 1.00 0.00 O ATOM 656 CB GLU A 39 119.372 8.320 -1.163 1.00 0.00 C ATOM 657 CG GLU A 39 119.853 7.076 -1.850 1.00 0.00 C ATOM 658 CD GLU A 39 119.755 7.174 -3.362 1.00 0.00 C ATOM 659 OE1 GLU A 39 118.716 6.811 -3.920 1.00 0.00 O ATOM 660 OE2 GLU A 39 120.739 7.610 -4.012 1.00 0.00 O ATOM 0 H GLU A 39 117.810 10.087 0.159 1.00 0.00 H new ATOM 0 HA GLU A 39 117.567 8.460 -2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 39 119.903 9.177 -1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 39 119.637 8.262 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 39 120.888 6.886 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 39 119.267 6.224 -1.505 1.00 0.00 H new ATOM 667 N PHE A 40 116.257 6.763 -1.108 1.00 0.00 N ATOM 668 CA PHE A 40 115.291 5.777 -0.535 1.00 0.00 C ATOM 669 C PHE A 40 115.956 4.422 -0.335 1.00 0.00 C ATOM 670 O PHE A 40 117.057 4.168 -0.862 1.00 0.00 O ATOM 671 CB PHE A 40 114.085 5.566 -1.468 1.00 0.00 C ATOM 672 CG PHE A 40 113.473 6.801 -2.084 1.00 0.00 C ATOM 673 CD1 PHE A 40 113.209 7.935 -1.336 1.00 0.00 C ATOM 674 CD2 PHE A 40 113.158 6.807 -3.436 1.00 0.00 C ATOM 675 CE1 PHE A 40 112.641 9.048 -1.926 1.00 0.00 C ATOM 676 CE2 PHE A 40 112.589 7.914 -4.030 1.00 0.00 C ATOM 677 CZ PHE A 40 112.329 9.035 -3.278 1.00 0.00 C ATOM 0 H PHE A 40 116.207 6.799 -2.126 1.00 0.00 H new ATOM 0 HA PHE A 40 114.958 6.185 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 40 114.393 4.901 -2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 40 113.308 5.047 -0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 40 113.449 7.950 -0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 40 113.362 5.930 -4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 40 112.440 9.929 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 40 112.348 7.900 -5.083 1.00 0.00 H new ATOM 0 HZ PHE A 40 111.883 9.904 -3.739 1.00 0.00 H new ATOM 687 N LEU A 41 115.310 3.550 0.449 1.00 0.00 N ATOM 688 CA LEU A 41 115.898 2.269 0.783 1.00 0.00 C ATOM 689 C LEU A 41 115.513 1.243 -0.256 1.00 0.00 C ATOM 690 O LEU A 41 114.451 1.309 -0.774 1.00 0.00 O ATOM 691 CB LEU A 41 115.445 1.764 2.145 1.00 0.00 C ATOM 692 CG LEU A 41 115.916 2.467 3.417 1.00 0.00 C ATOM 693 CD1 LEU A 41 115.221 3.812 3.642 1.00 0.00 C ATOM 694 CD2 LEU A 41 115.702 1.557 4.600 1.00 0.00 C ATOM 0 H LEU A 41 114.389 3.716 0.855 1.00 0.00 H new ATOM 0 HA LEU A 41 116.978 2.412 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 41 114.355 1.780 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 41 115.748 0.720 2.221 1.00 0.00 H new ATOM 0 HG LEU A 41 116.978 2.684 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 41 115.595 4.266 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.427 4.473 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 41 114.145 3.656 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 41 116.037 2.057 5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 41 114.642 1.317 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 41 116.271 0.638 4.460 1.00 0.00 H new ATOM 706 N GLN A 42 116.383 0.323 -0.574 1.00 0.00 N ATOM 707 CA GLN A 42 116.082 -0.706 -1.536 1.00 0.00 C ATOM 708 C GLN A 42 116.648 -2.024 -1.008 1.00 0.00 C ATOM 709 O GLN A 42 117.516 -2.014 -0.197 1.00 0.00 O ATOM 710 CB GLN A 42 116.751 -0.360 -2.844 1.00 0.00 C ATOM 711 CG GLN A 42 116.281 -1.177 -4.024 1.00 0.00 C ATOM 712 CD GLN A 42 117.235 -1.126 -5.195 1.00 0.00 C ATOM 713 OE1 GLN A 42 117.936 -0.137 -5.407 1.00 0.00 O ATOM 714 NE2 GLN A 42 117.272 -2.183 -5.963 1.00 0.00 N ATOM 0 H GLN A 42 117.320 0.264 -0.175 1.00 0.00 H new ATOM 0 HA GLN A 42 115.006 -0.792 -1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 42 116.579 0.695 -3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 42 117.827 -0.492 -2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.152 -2.214 -3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.303 -0.816 -4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 42 116.676 -2.985 -5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 42 117.897 -2.206 -6.769 1.00 0.00 H new ATOM 723 N ILE A 43 116.153 -3.120 -1.471 1.00 0.00 N ATOM 724 CA ILE A 43 116.583 -4.440 -1.000 1.00 0.00 C ATOM 725 C ILE A 43 117.705 -4.972 -1.879 1.00 0.00 C ATOM 726 O ILE A 43 117.524 -5.094 -3.082 1.00 0.00 O ATOM 727 CB ILE A 43 115.413 -5.479 -1.040 1.00 0.00 C ATOM 728 CG1 ILE A 43 114.151 -4.932 -0.365 1.00 0.00 C ATOM 729 CG2 ILE A 43 115.824 -6.804 -0.395 1.00 0.00 C ATOM 730 CD1 ILE A 43 114.351 -4.490 1.050 1.00 0.00 C ATOM 0 H ILE A 43 115.432 -3.152 -2.192 1.00 0.00 H new ATOM 0 HA ILE A 43 116.920 -4.314 0.029 1.00 0.00 H new ATOM 0 HB ILE A 43 115.185 -5.662 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 43 113.778 -4.089 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 43 113.379 -5.701 -0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.990 -7.504 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 43 116.676 -7.221 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 43 116.099 -6.632 0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 43 113.409 -4.117 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 43 114.693 -5.334 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 43 115.098 -3.697 1.081 1.00 0.00 H new ATOM 742 N LYS A 44 118.836 -5.310 -1.271 1.00 0.00 N ATOM 743 CA LYS A 44 119.971 -5.885 -1.997 1.00 0.00 C ATOM 744 C LYS A 44 120.072 -7.360 -1.728 1.00 0.00 C ATOM 745 O LYS A 44 120.747 -8.076 -2.457 1.00 0.00 O ATOM 746 CB LYS A 44 121.320 -5.219 -1.677 1.00 0.00 C ATOM 747 CG LYS A 44 121.744 -5.291 -0.204 1.00 0.00 C ATOM 748 CD LYS A 44 123.220 -5.705 -0.031 1.00 0.00 C ATOM 749 CE LYS A 44 124.204 -4.756 -0.698 1.00 0.00 C ATOM 750 NZ LYS A 44 125.609 -5.181 -0.520 1.00 0.00 N ATOM 0 H LYS A 44 118.996 -5.196 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 44 119.769 -5.699 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 44 122.093 -5.688 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 44 121.271 -4.172 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 44 121.586 -4.319 0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 44 121.107 -6.004 0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 44 123.449 -5.763 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 44 123.358 -6.705 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 44 123.979 -4.693 -1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 44 124.075 -3.755 -0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 126.240 -4.502 -0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 125.835 -5.216 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 125.742 -6.125 -0.937 1.00 0.00 H new ATOM 764 N SER A 45 119.452 -7.818 -0.667 1.00 0.00 N ATOM 765 CA SER A 45 119.381 -9.233 -0.398 1.00 0.00 C ATOM 766 C SER A 45 118.181 -9.549 0.451 1.00 0.00 C ATOM 767 O SER A 45 117.951 -8.915 1.484 1.00 0.00 O ATOM 768 CB SER A 45 120.639 -9.755 0.313 1.00 0.00 C ATOM 769 OG SER A 45 121.817 -9.554 -0.454 1.00 0.00 O ATOM 0 H SER A 45 118.989 -7.229 0.025 1.00 0.00 H new ATOM 0 HA SER A 45 119.301 -9.729 -1.365 1.00 0.00 H new ATOM 0 HB2 SER A 45 120.745 -9.252 1.274 1.00 0.00 H new ATOM 0 HB3 SER A 45 120.521 -10.819 0.521 1.00 0.00 H new ATOM 0 HG SER A 45 121.588 -9.103 -1.293 1.00 0.00 H new ATOM 775 N LEU A 46 117.407 -10.473 -0.005 1.00 0.00 N ATOM 776 CA LEU A 46 116.360 -11.035 0.733 1.00 0.00 C ATOM 777 C LEU A 46 116.974 -12.077 1.644 1.00 0.00 C ATOM 778 O LEU A 46 117.407 -13.130 1.181 1.00 0.00 O ATOM 779 CB LEU A 46 115.391 -11.672 -0.246 1.00 0.00 C ATOM 780 CG LEU A 46 114.381 -12.646 0.317 1.00 0.00 C ATOM 781 CD1 LEU A 46 113.574 -11.988 1.378 1.00 0.00 C ATOM 782 CD2 LEU A 46 113.493 -13.160 -0.782 1.00 0.00 C ATOM 0 H LEU A 46 117.501 -10.865 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 46 115.822 -10.298 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 46 114.846 -10.874 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 46 115.973 -12.191 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 46 114.909 -13.491 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 46 112.850 -12.698 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.232 -11.652 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 46 113.048 -11.131 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 46 112.769 -13.861 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 46 112.966 -12.325 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 46 114.099 -13.667 -1.533 1.00 0.00 H new ATOM 794 N VAL A 47 117.053 -11.785 2.908 1.00 0.00 N ATOM 795 CA VAL A 47 117.662 -12.681 3.818 1.00 0.00 C ATOM 796 C VAL A 47 116.674 -13.774 4.165 1.00 0.00 C ATOM 797 O VAL A 47 115.588 -13.522 4.714 1.00 0.00 O ATOM 798 CB VAL A 47 118.184 -11.943 5.074 1.00 0.00 C ATOM 799 CG1 VAL A 47 118.737 -12.910 6.082 1.00 0.00 C ATOM 800 CG2 VAL A 47 119.250 -10.922 4.683 1.00 0.00 C ATOM 0 H VAL A 47 116.698 -10.925 3.325 1.00 0.00 H new ATOM 0 HA VAL A 47 118.536 -13.136 3.352 1.00 0.00 H new ATOM 0 HB VAL A 47 117.343 -11.422 5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 47 119.096 -12.362 6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 47 117.954 -13.604 6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 47 119.563 -13.466 5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 47 119.608 -10.410 5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 47 120.082 -11.432 4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 47 118.821 -10.194 3.995 1.00 0.00 H new ATOM 810 N LEU A 48 117.012 -14.968 3.774 1.00 0.00 N ATOM 811 CA LEU A 48 116.163 -16.096 3.999 1.00 0.00 C ATOM 812 C LEU A 48 116.022 -16.364 5.459 1.00 0.00 C ATOM 813 O LEU A 48 116.973 -16.165 6.228 1.00 0.00 O ATOM 814 CB LEU A 48 116.651 -17.296 3.238 1.00 0.00 C ATOM 815 CG LEU A 48 116.742 -17.086 1.724 1.00 0.00 C ATOM 816 CD1 LEU A 48 117.208 -18.345 1.032 1.00 0.00 C ATOM 817 CD2 LEU A 48 115.403 -16.600 1.142 1.00 0.00 C ATOM 0 H LEU A 48 117.884 -15.185 3.291 1.00 0.00 H new ATOM 0 HA LEU A 48 115.168 -15.867 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 48 117.635 -17.575 3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 48 115.984 -18.135 3.438 1.00 0.00 H new ATOM 0 HG LEU A 48 117.482 -16.306 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 48 117.264 -18.170 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 48 118.193 -18.623 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 48 116.503 -19.152 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 48 115.503 -16.461 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 48 114.629 -17.341 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 48 115.127 -15.653 1.606 1.00 0.00 H new ATOM 829 N ASP A 49 114.816 -16.781 5.824 1.00 0.00 N ATOM 830 CA ASP A 49 114.379 -16.968 7.198 1.00 0.00 C ATOM 831 C ASP A 49 114.008 -15.604 7.810 1.00 0.00 C ATOM 832 O ASP A 49 113.853 -15.434 9.014 1.00 0.00 O ATOM 833 CB ASP A 49 115.379 -17.796 8.024 1.00 0.00 C ATOM 834 CG ASP A 49 114.859 -18.208 9.387 1.00 0.00 C ATOM 835 OD1 ASP A 49 113.873 -18.990 9.459 1.00 0.00 O ATOM 836 OD2 ASP A 49 115.458 -17.820 10.415 1.00 0.00 O ATOM 0 H ASP A 49 114.090 -17.006 5.144 1.00 0.00 H new ATOM 0 HA ASP A 49 113.474 -17.575 7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 49 115.646 -18.691 7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 49 116.294 -17.218 8.155 1.00 0.00 H new ATOM 841 N GLY A 50 113.862 -14.632 6.916 1.00 0.00 N ATOM 842 CA GLY A 50 113.355 -13.319 7.241 1.00 0.00 C ATOM 843 C GLY A 50 111.891 -13.256 6.920 1.00 0.00 C ATOM 844 O GLY A 50 111.455 -14.036 6.109 1.00 0.00 O ATOM 0 H GLY A 50 114.099 -14.744 5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 50 113.516 -13.106 8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 50 113.895 -12.559 6.677 1.00 0.00 H new ATOM 848 N PRO A 51 111.102 -12.264 7.386 1.00 0.00 N ATOM 849 CA PRO A 51 109.664 -12.335 7.257 1.00 0.00 C ATOM 850 C PRO A 51 109.239 -12.114 5.808 1.00 0.00 C ATOM 851 O PRO A 51 108.195 -12.578 5.363 1.00 0.00 O ATOM 852 CB PRO A 51 109.146 -11.291 8.254 1.00 0.00 C ATOM 853 CG PRO A 51 110.329 -10.466 8.663 1.00 0.00 C ATOM 854 CD PRO A 51 111.498 -10.922 7.836 1.00 0.00 C ATOM 0 HA PRO A 51 109.241 -13.312 7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 51 108.378 -10.667 7.798 1.00 0.00 H new ATOM 0 HB3 PRO A 51 108.692 -11.774 9.120 1.00 0.00 H new ATOM 0 HG2 PRO A 51 110.133 -9.406 8.500 1.00 0.00 H new ATOM 0 HG3 PRO A 51 110.537 -10.592 9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 51 111.678 -10.254 6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 51 112.417 -10.951 8.422 1.00 0.00 H new ATOM 862 N ALA A 52 110.099 -11.415 5.087 1.00 0.00 N ATOM 863 CA ALA A 52 109.973 -11.167 3.672 1.00 0.00 C ATOM 864 C ALA A 52 110.057 -12.496 2.932 1.00 0.00 C ATOM 865 O ALA A 52 109.234 -12.792 2.065 1.00 0.00 O ATOM 866 CB ALA A 52 111.121 -10.268 3.251 1.00 0.00 C ATOM 0 H ALA A 52 110.934 -10.991 5.492 1.00 0.00 H new ATOM 0 HA ALA A 52 109.021 -10.688 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 52 111.050 -10.064 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 52 111.070 -9.330 3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 52 112.068 -10.764 3.464 1.00 0.00 H new ATOM 872 N ALA A 53 111.033 -13.297 3.339 1.00 0.00 N ATOM 873 CA ALA A 53 111.317 -14.609 2.774 1.00 0.00 C ATOM 874 C ALA A 53 110.216 -15.566 3.105 1.00 0.00 C ATOM 875 O ALA A 53 109.719 -16.295 2.270 1.00 0.00 O ATOM 876 CB ALA A 53 112.601 -15.146 3.391 1.00 0.00 C ATOM 0 H ALA A 53 111.669 -13.043 4.095 1.00 0.00 H new ATOM 0 HA ALA A 53 111.410 -14.511 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 53 112.822 -16.129 2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 53 113.423 -14.465 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 53 112.479 -15.229 4.471 1.00 0.00 H new ATOM 882 N LEU A 54 109.849 -15.526 4.330 1.00 0.00 N ATOM 883 CA LEU A 54 108.925 -16.420 4.913 1.00 0.00 C ATOM 884 C LEU A 54 107.513 -16.220 4.479 1.00 0.00 C ATOM 885 O LEU A 54 106.741 -17.166 4.369 1.00 0.00 O ATOM 886 CB LEU A 54 109.093 -16.282 6.320 1.00 0.00 C ATOM 887 CG LEU A 54 110.512 -16.640 6.697 1.00 0.00 C ATOM 888 CD1 LEU A 54 110.634 -16.424 8.047 1.00 0.00 C ATOM 889 CD2 LEU A 54 110.864 -18.078 6.348 1.00 0.00 C ATOM 0 H LEU A 54 110.204 -14.832 4.987 1.00 0.00 H new ATOM 0 HA LEU A 54 109.131 -17.437 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 54 108.872 -15.259 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 54 108.392 -16.930 6.846 1.00 0.00 H new ATOM 0 HG LEU A 54 111.207 -16.021 6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.647 -16.671 8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.429 -15.376 8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 54 109.923 -17.053 8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.894 -18.282 6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.196 -18.755 6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 54 110.755 -18.229 5.274 1.00 0.00 H new ATOM 901 N ASP A 55 107.154 -14.979 4.236 1.00 0.00 N ATOM 902 CA ASP A 55 105.847 -14.687 3.672 1.00 0.00 C ATOM 903 C ASP A 55 105.918 -14.990 2.197 1.00 0.00 C ATOM 904 O ASP A 55 104.954 -15.428 1.561 1.00 0.00 O ATOM 905 CB ASP A 55 105.468 -13.219 3.886 1.00 0.00 C ATOM 906 CG ASP A 55 104.015 -12.922 3.565 1.00 0.00 C ATOM 907 OD1 ASP A 55 103.675 -12.677 2.405 1.00 0.00 O ATOM 908 OD2 ASP A 55 103.189 -12.919 4.498 1.00 0.00 O ATOM 0 H ASP A 55 107.738 -14.162 4.416 1.00 0.00 H new ATOM 0 HA ASP A 55 105.086 -15.293 4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 55 105.667 -12.947 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 55 106.106 -12.592 3.264 1.00 0.00 H new ATOM 913 N GLY A 56 107.146 -14.855 1.704 1.00 0.00 N ATOM 914 CA GLY A 56 107.472 -15.094 0.320 1.00 0.00 C ATOM 915 C GLY A 56 106.918 -14.051 -0.578 1.00 0.00 C ATOM 916 O GLY A 56 106.649 -14.291 -1.762 1.00 0.00 O ATOM 0 H GLY A 56 107.946 -14.572 2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 56 108.555 -15.131 0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 56 107.087 -16.069 0.022 1.00 0.00 H new ATOM 920 N LYS A 57 106.796 -12.896 -0.031 1.00 0.00 N ATOM 921 CA LYS A 57 106.156 -11.802 -0.677 1.00 0.00 C ATOM 922 C LYS A 57 107.166 -10.885 -1.341 1.00 0.00 C ATOM 923 O LYS A 57 107.033 -10.553 -2.508 1.00 0.00 O ATOM 924 CB LYS A 57 105.405 -11.034 0.381 1.00 0.00 C ATOM 925 CG LYS A 57 104.559 -9.874 -0.131 1.00 0.00 C ATOM 926 CD LYS A 57 103.365 -10.350 -0.953 1.00 0.00 C ATOM 927 CE LYS A 57 102.398 -11.208 -0.126 1.00 0.00 C ATOM 928 NZ LYS A 57 101.778 -10.453 0.999 1.00 0.00 N ATOM 0 H LYS A 57 107.146 -12.677 0.902 1.00 0.00 H new ATOM 0 HA LYS A 57 105.488 -12.175 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 57 104.756 -11.726 0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 57 106.123 -10.647 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 57 104.204 -9.285 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 57 105.178 -9.216 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 57 102.832 -9.486 -1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 57 103.720 -10.927 -1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 57 101.613 -11.593 -0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 57 102.933 -12.070 0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 101.271 -11.113 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 102.520 -9.966 1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 101.110 -9.752 0.620 1.00 0.00 H new ATOM 942 N MET A 58 108.167 -10.487 -0.581 1.00 0.00 N ATOM 943 CA MET A 58 109.159 -9.512 -1.032 1.00 0.00 C ATOM 944 C MET A 58 110.302 -10.209 -1.724 1.00 0.00 C ATOM 945 O MET A 58 110.532 -11.414 -1.498 1.00 0.00 O ATOM 946 CB MET A 58 109.704 -8.736 0.156 1.00 0.00 C ATOM 947 CG MET A 58 108.688 -7.920 0.914 1.00 0.00 C ATOM 948 SD MET A 58 109.353 -7.269 2.461 1.00 0.00 S ATOM 949 CE MET A 58 110.881 -6.500 1.916 1.00 0.00 C ATOM 0 H MET A 58 108.322 -10.826 0.368 1.00 0.00 H new ATOM 0 HA MET A 58 108.674 -8.828 -1.729 1.00 0.00 H new ATOM 0 HB2 MET A 58 110.168 -9.440 0.847 1.00 0.00 H new ATOM 0 HB3 MET A 58 110.491 -8.069 -0.197 1.00 0.00 H new ATOM 0 HG2 MET A 58 108.350 -7.093 0.290 1.00 0.00 H new ATOM 0 HG3 MET A 58 107.815 -8.537 1.127 1.00 0.00 H new ATOM 0 HE1 MET A 58 111.115 -5.655 2.564 1.00 0.00 H new ATOM 0 HE2 MET A 58 111.691 -7.228 1.962 1.00 0.00 H new ATOM 0 HE3 MET A 58 110.766 -6.149 0.890 1.00 0.00 H new ATOM 959 N GLU A 59 111.017 -9.476 -2.543 1.00 0.00 N ATOM 960 CA GLU A 59 112.134 -10.009 -3.286 1.00 0.00 C ATOM 961 C GLU A 59 113.259 -8.993 -3.302 1.00 0.00 C ATOM 962 O GLU A 59 113.041 -7.798 -3.060 1.00 0.00 O ATOM 963 CB GLU A 59 111.726 -10.319 -4.736 1.00 0.00 C ATOM 964 CG GLU A 59 110.564 -11.285 -4.874 1.00 0.00 C ATOM 965 CD GLU A 59 110.364 -11.747 -6.284 1.00 0.00 C ATOM 966 OE1 GLU A 59 109.767 -11.013 -7.106 1.00 0.00 O ATOM 967 OE2 GLU A 59 110.795 -12.866 -6.604 1.00 0.00 O ATOM 0 H GLU A 59 110.839 -8.486 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 59 112.461 -10.930 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 59 111.465 -9.385 -5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 59 112.588 -10.731 -5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 59 110.737 -12.150 -4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 59 109.652 -10.804 -4.520 1.00 0.00 H new ATOM 974 N THR A 60 114.458 -9.468 -3.550 1.00 0.00 N ATOM 975 CA THR A 60 115.600 -8.637 -3.699 1.00 0.00 C ATOM 976 C THR A 60 115.378 -7.738 -4.918 1.00 0.00 C ATOM 977 O THR A 60 115.203 -8.226 -6.049 1.00 0.00 O ATOM 978 CB THR A 60 116.810 -9.519 -3.941 1.00 0.00 C ATOM 979 OG1 THR A 60 116.874 -10.546 -2.940 1.00 0.00 O ATOM 980 CG2 THR A 60 118.046 -8.720 -3.877 1.00 0.00 C ATOM 0 H THR A 60 114.656 -10.463 -3.653 1.00 0.00 H new ATOM 0 HA THR A 60 115.759 -8.030 -2.808 1.00 0.00 H new ATOM 0 HB THR A 60 116.716 -9.968 -4.930 1.00 0.00 H new ATOM 0 HG1 THR A 60 117.656 -11.113 -3.103 1.00 0.00 H new ATOM 0 HG21 THR A 60 118.906 -9.366 -4.052 1.00 0.00 H new ATOM 0 HG22 THR A 60 118.016 -7.941 -4.639 1.00 0.00 H new ATOM 0 HG23 THR A 60 118.132 -8.261 -2.892 1.00 0.00 H new ATOM 988 N GLY A 61 115.360 -6.461 -4.689 1.00 0.00 N ATOM 989 CA GLY A 61 115.069 -5.539 -5.733 1.00 0.00 C ATOM 990 C GLY A 61 114.047 -4.528 -5.289 1.00 0.00 C ATOM 991 O GLY A 61 114.082 -3.383 -5.738 1.00 0.00 O ATOM 0 H GLY A 61 115.545 -6.035 -3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 61 115.983 -5.028 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 61 114.699 -6.077 -6.606 1.00 0.00 H new ATOM 995 N ASP A 62 113.146 -4.955 -4.390 1.00 0.00 N ATOM 996 CA ASP A 62 112.092 -4.076 -3.837 1.00 0.00 C ATOM 997 C ASP A 62 112.671 -2.809 -3.262 1.00 0.00 C ATOM 998 O ASP A 62 113.716 -2.828 -2.641 1.00 0.00 O ATOM 999 CB ASP A 62 111.300 -4.752 -2.709 1.00 0.00 C ATOM 1000 CG ASP A 62 110.170 -5.649 -3.149 1.00 0.00 C ATOM 1001 OD1 ASP A 62 109.260 -5.166 -3.826 1.00 0.00 O ATOM 1002 OD2 ASP A 62 110.151 -6.852 -2.797 1.00 0.00 O ATOM 0 H ASP A 62 113.123 -5.908 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 62 111.434 -3.857 -4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 62 111.992 -5.340 -2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 62 110.892 -3.976 -2.061 1.00 0.00 H new ATOM 1007 N VAL A 63 112.019 -1.722 -3.465 1.00 0.00 N ATOM 1008 CA VAL A 63 112.454 -0.491 -2.877 1.00 0.00 C ATOM 1009 C VAL A 63 111.537 -0.059 -1.751 1.00 0.00 C ATOM 1010 O VAL A 63 110.354 0.195 -1.957 1.00 0.00 O ATOM 1011 CB VAL A 63 112.807 0.640 -3.918 1.00 0.00 C ATOM 1012 CG1 VAL A 63 111.889 0.605 -5.095 1.00 0.00 C ATOM 1013 CG2 VAL A 63 112.805 2.035 -3.295 1.00 0.00 C ATOM 0 H VAL A 63 111.177 -1.652 -4.036 1.00 0.00 H new ATOM 0 HA VAL A 63 113.421 -0.692 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 63 113.822 0.431 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 63 112.161 1.398 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 63 111.973 -0.361 -5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 63 110.862 0.753 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 63 113.054 2.774 -4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 63 111.817 2.251 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 63 113.543 2.077 -2.494 1.00 0.00 H new ATOM 1023 N ILE A 64 112.101 -0.053 -0.557 1.00 0.00 N ATOM 1024 CA ILE A 64 111.421 0.298 0.662 1.00 0.00 C ATOM 1025 C ILE A 64 111.121 1.785 0.684 1.00 0.00 C ATOM 1026 O ILE A 64 112.067 2.674 0.687 1.00 0.00 O ATOM 1027 CB ILE A 64 112.230 -0.109 1.931 1.00 0.00 C ATOM 1028 CG1 ILE A 64 112.459 -1.628 1.984 1.00 0.00 C ATOM 1029 CG2 ILE A 64 111.556 0.380 3.221 1.00 0.00 C ATOM 1030 CD1 ILE A 64 111.191 -2.456 2.044 1.00 0.00 C ATOM 0 H ILE A 64 113.079 -0.302 -0.412 1.00 0.00 H new ATOM 0 HA ILE A 64 110.486 -0.262 0.684 1.00 0.00 H new ATOM 0 HB ILE A 64 113.201 0.381 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 64 113.031 -1.927 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 64 113.070 -1.860 2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 64 112.152 0.075 4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 64 111.477 1.467 3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 64 110.559 -0.055 3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 64 111.449 -3.514 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 64 110.625 -2.191 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 64 110.586 -2.259 1.159 1.00 0.00 H new ATOM 1042 N VAL A 65 109.821 2.039 0.697 1.00 0.00 N ATOM 1043 CA VAL A 65 109.253 3.345 0.647 1.00 0.00 C ATOM 1044 C VAL A 65 108.852 3.801 2.038 1.00 0.00 C ATOM 1045 O VAL A 65 109.372 4.765 2.539 1.00 0.00 O ATOM 1046 CB VAL A 65 107.983 3.317 -0.248 1.00 0.00 C ATOM 1047 CG1 VAL A 65 107.312 4.666 -0.324 1.00 0.00 C ATOM 1048 CG2 VAL A 65 108.314 2.820 -1.631 1.00 0.00 C ATOM 0 H VAL A 65 109.119 1.300 0.745 1.00 0.00 H new ATOM 0 HA VAL A 65 109.994 4.033 0.240 1.00 0.00 H new ATOM 0 HB VAL A 65 107.280 2.626 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.429 4.598 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.015 4.982 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 65 108.006 5.395 -0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.410 2.809 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 65 109.051 3.480 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.721 1.811 -1.567 1.00 0.00 H new ATOM 1058 N SER A 66 107.987 3.071 2.681 1.00 0.00 N ATOM 1059 CA SER A 66 107.488 3.510 3.958 1.00 0.00 C ATOM 1060 C SER A 66 107.082 2.354 4.849 1.00 0.00 C ATOM 1061 O SER A 66 106.974 1.206 4.398 1.00 0.00 O ATOM 1062 CB SER A 66 106.364 4.572 3.782 1.00 0.00 C ATOM 1063 OG SER A 66 105.390 4.178 2.814 1.00 0.00 O ATOM 0 H SER A 66 107.615 2.181 2.351 1.00 0.00 H new ATOM 0 HA SER A 66 108.308 4.001 4.483 1.00 0.00 H new ATOM 0 HB2 SER A 66 105.873 4.740 4.740 1.00 0.00 H new ATOM 0 HB3 SER A 66 106.808 5.521 3.481 1.00 0.00 H new ATOM 0 HG SER A 66 104.508 4.132 3.238 1.00 0.00 H new ATOM 1069 N VAL A 67 106.886 2.643 6.110 1.00 0.00 N ATOM 1070 CA VAL A 67 106.551 1.645 7.070 1.00 0.00 C ATOM 1071 C VAL A 67 105.641 2.219 8.132 1.00 0.00 C ATOM 1072 O VAL A 67 106.055 3.048 8.926 1.00 0.00 O ATOM 1073 CB VAL A 67 107.846 0.989 7.701 1.00 0.00 C ATOM 1074 CG1 VAL A 67 108.775 2.010 8.303 1.00 0.00 C ATOM 1075 CG2 VAL A 67 107.505 -0.061 8.738 1.00 0.00 C ATOM 0 H VAL A 67 106.957 3.586 6.493 1.00 0.00 H new ATOM 0 HA VAL A 67 106.011 0.848 6.559 1.00 0.00 H new ATOM 0 HB VAL A 67 108.362 0.506 6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 67 109.647 1.507 8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 67 109.096 2.710 7.531 1.00 0.00 H new ATOM 0 HG13 VAL A 67 108.256 2.553 9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 67 108.424 -0.484 9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 67 106.930 0.396 9.543 1.00 0.00 H new ATOM 0 HG23 VAL A 67 106.915 -0.852 8.275 1.00 0.00 H new ATOM 1085 N ASN A 68 104.383 1.775 8.103 1.00 0.00 N ATOM 1086 CA ASN A 68 103.374 2.075 9.156 1.00 0.00 C ATOM 1087 C ASN A 68 103.392 3.515 9.613 1.00 0.00 C ATOM 1088 O ASN A 68 103.781 3.825 10.751 1.00 0.00 O ATOM 1089 CB ASN A 68 103.664 1.108 10.279 1.00 0.00 C ATOM 1090 CG ASN A 68 103.436 -0.242 9.798 1.00 0.00 C ATOM 1091 OD1 ASN A 68 104.361 -0.693 9.067 1.00 0.00 O flip ATOM 1092 ND2 ASN A 68 102.406 -0.857 10.020 1.00 0.00 N flip ATOM 0 H ASN A 68 104.020 1.192 7.349 1.00 0.00 H new ATOM 0 HA ASN A 68 102.364 1.948 8.768 1.00 0.00 H new ATOM 0 HB2 ASN A 68 104.694 1.220 10.618 1.00 0.00 H new ATOM 0 HB3 ASN A 68 103.022 1.318 11.135 1.00 0.00 H new ATOM 0 HD21 ASN A 68 101.687 -0.449 10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 68 102.263 -1.779 9.607 1.00 0.00 H new ATOM 1099 N ASP A 69 103.045 4.381 8.686 1.00 0.00 N ATOM 1100 CA ASP A 69 102.976 5.847 8.859 1.00 0.00 C ATOM 1101 C ASP A 69 104.352 6.511 8.853 1.00 0.00 C ATOM 1102 O ASP A 69 104.522 7.597 8.275 1.00 0.00 O ATOM 1103 CB ASP A 69 102.157 6.270 10.093 1.00 0.00 C ATOM 1104 CG ASP A 69 102.213 7.756 10.343 1.00 0.00 C ATOM 1105 OD1 ASP A 69 101.488 8.521 9.677 1.00 0.00 O ATOM 1106 OD2 ASP A 69 103.000 8.197 11.212 1.00 0.00 O ATOM 0 H ASP A 69 102.789 4.087 7.744 1.00 0.00 H new ATOM 0 HA ASP A 69 102.440 6.211 7.982 1.00 0.00 H new ATOM 0 HB2 ASP A 69 101.119 5.967 9.957 1.00 0.00 H new ATOM 0 HB3 ASP A 69 102.531 5.743 10.971 1.00 0.00 H new ATOM 1111 N THR A 70 105.325 5.852 9.453 1.00 0.00 N ATOM 1112 CA THR A 70 106.670 6.350 9.555 1.00 0.00 C ATOM 1113 C THR A 70 107.252 6.588 8.173 1.00 0.00 C ATOM 1114 O THR A 70 107.307 5.673 7.312 1.00 0.00 O ATOM 1115 CB THR A 70 107.534 5.361 10.340 1.00 0.00 C ATOM 1116 OG1 THR A 70 106.877 5.071 11.584 1.00 0.00 O ATOM 1117 CG2 THR A 70 108.924 5.927 10.619 1.00 0.00 C ATOM 0 H THR A 70 105.193 4.939 9.889 1.00 0.00 H new ATOM 0 HA THR A 70 106.656 7.301 10.087 1.00 0.00 H new ATOM 0 HB THR A 70 107.658 4.456 9.745 1.00 0.00 H new ATOM 0 HG1 THR A 70 107.418 4.436 12.099 1.00 0.00 H new ATOM 0 HG21 THR A 70 109.509 5.197 11.178 1.00 0.00 H new ATOM 0 HG22 THR A 70 109.424 6.146 9.675 1.00 0.00 H new ATOM 0 HG23 THR A 70 108.833 6.843 11.203 1.00 0.00 H new ATOM 1125 N CYS A 71 107.662 7.804 7.955 1.00 0.00 N ATOM 1126 CA CYS A 71 108.155 8.222 6.687 1.00 0.00 C ATOM 1127 C CYS A 71 109.616 7.857 6.537 1.00 0.00 C ATOM 1128 O CYS A 71 110.521 8.691 6.670 1.00 0.00 O ATOM 1129 CB CYS A 71 107.933 9.709 6.498 1.00 0.00 C ATOM 1130 SG CYS A 71 108.288 10.303 4.829 1.00 0.00 S ATOM 0 H CYS A 71 107.661 8.537 8.665 1.00 0.00 H new ATOM 0 HA CYS A 71 107.602 7.700 5.906 1.00 0.00 H new ATOM 0 HB2 CYS A 71 106.897 9.945 6.743 1.00 0.00 H new ATOM 0 HB3 CYS A 71 108.560 10.252 7.206 1.00 0.00 H new ATOM 0 HG CYS A 71 109.488 9.939 4.485 1.00 0.00 H new ATOM 1136 N VAL A 72 109.831 6.590 6.278 1.00 0.00 N ATOM 1137 CA VAL A 72 111.143 6.038 6.021 1.00 0.00 C ATOM 1138 C VAL A 72 111.570 6.370 4.584 1.00 0.00 C ATOM 1139 O VAL A 72 112.720 6.176 4.167 1.00 0.00 O ATOM 1140 CB VAL A 72 111.155 4.512 6.363 1.00 0.00 C ATOM 1141 CG1 VAL A 72 112.383 3.787 5.852 1.00 0.00 C ATOM 1142 CG2 VAL A 72 111.096 4.368 7.864 1.00 0.00 C ATOM 0 H VAL A 72 109.084 5.897 6.239 1.00 0.00 H new ATOM 0 HA VAL A 72 111.891 6.493 6.670 1.00 0.00 H new ATOM 0 HB VAL A 72 110.295 4.060 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.324 2.734 6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.434 3.878 4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 72 113.276 4.227 6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 72 111.103 3.311 8.129 1.00 0.00 H new ATOM 0 HG22 VAL A 72 111.960 4.860 8.311 1.00 0.00 H new ATOM 0 HG23 VAL A 72 110.182 4.829 8.238 1.00 0.00 H new ATOM 1152 N LEU A 73 110.640 6.929 3.860 1.00 0.00 N ATOM 1153 CA LEU A 73 110.884 7.437 2.570 1.00 0.00 C ATOM 1154 C LEU A 73 111.751 8.649 2.765 1.00 0.00 C ATOM 1155 O LEU A 73 111.307 9.680 3.297 1.00 0.00 O ATOM 1156 CB LEU A 73 109.532 7.813 1.993 1.00 0.00 C ATOM 1157 CG LEU A 73 109.457 8.115 0.521 1.00 0.00 C ATOM 1158 CD1 LEU A 73 110.084 6.991 -0.277 1.00 0.00 C ATOM 1159 CD2 LEU A 73 108.014 8.248 0.149 1.00 0.00 C ATOM 0 H LEU A 73 109.675 7.039 4.172 1.00 0.00 H new ATOM 0 HA LEU A 73 111.377 6.736 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 73 108.840 6.998 2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 73 109.169 8.687 2.533 1.00 0.00 H new ATOM 0 HG LEU A 73 109.997 9.036 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 73 110.023 7.222 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 73 111.129 6.880 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 73 109.551 6.061 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.931 8.468 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.494 7.315 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.564 9.058 0.723 1.00 0.00 H new ATOM 1171 N GLY A 74 112.975 8.522 2.346 1.00 0.00 N ATOM 1172 CA GLY A 74 113.917 9.548 2.574 1.00 0.00 C ATOM 1173 C GLY A 74 114.419 9.550 4.008 1.00 0.00 C ATOM 1174 O GLY A 74 114.674 10.615 4.590 1.00 0.00 O ATOM 0 H GLY A 74 113.334 7.710 1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 74 114.760 9.424 1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 74 113.464 10.513 2.347 1.00 0.00 H new ATOM 1178 N HIS A 75 114.504 8.393 4.604 1.00 0.00 N ATOM 1179 CA HIS A 75 115.046 8.283 5.915 1.00 0.00 C ATOM 1180 C HIS A 75 116.527 8.088 5.781 1.00 0.00 C ATOM 1181 O HIS A 75 116.983 7.361 4.903 1.00 0.00 O ATOM 1182 CB HIS A 75 114.455 7.099 6.649 1.00 0.00 C ATOM 1183 CG HIS A 75 113.881 7.427 7.986 1.00 0.00 C ATOM 1184 ND1 HIS A 75 112.754 8.192 8.195 1.00 0.00 N ATOM 1185 CD2 HIS A 75 114.315 7.078 9.190 1.00 0.00 C ATOM 1186 CE1 HIS A 75 112.554 8.282 9.510 1.00 0.00 C ATOM 1187 NE2 HIS A 75 113.484 7.616 10.170 1.00 0.00 N ATOM 0 H HIS A 75 114.200 7.511 4.192 1.00 0.00 H new ATOM 0 HA HIS A 75 114.813 9.184 6.482 1.00 0.00 H new ATOM 0 HB2 HIS A 75 113.674 6.656 6.031 1.00 0.00 H new ATOM 0 HB3 HIS A 75 115.229 6.342 6.775 1.00 0.00 H new ATOM 0 HD1 HIS A 75 112.174 8.615 7.470 1.00 0.00 H new ATOM 0 HD2 HIS A 75 115.184 6.467 9.382 1.00 0.00 H new ATOM 0 HE1 HIS A 75 111.743 8.825 9.972 1.00 0.00 H new ATOM 1195 N THR A 76 117.255 8.762 6.602 1.00 0.00 N ATOM 1196 CA THR A 76 118.678 8.656 6.621 1.00 0.00 C ATOM 1197 C THR A 76 119.067 7.294 7.224 1.00 0.00 C ATOM 1198 O THR A 76 118.358 6.837 8.130 1.00 0.00 O ATOM 1199 CB THR A 76 119.200 9.774 7.525 1.00 0.00 C ATOM 1200 OG1 THR A 76 118.686 11.038 7.087 1.00 0.00 O ATOM 1201 CG2 THR A 76 120.695 9.832 7.574 1.00 0.00 C ATOM 0 H THR A 76 116.876 9.413 7.290 1.00 0.00 H new ATOM 0 HA THR A 76 119.095 8.738 5.617 1.00 0.00 H new ATOM 0 HB THR A 76 118.851 9.552 8.534 1.00 0.00 H new ATOM 0 HG1 THR A 76 119.023 11.749 7.672 1.00 0.00 H new ATOM 0 HG21 THR A 76 121.006 10.644 8.231 1.00 0.00 H new ATOM 0 HG22 THR A 76 121.083 8.888 7.956 1.00 0.00 H new ATOM 0 HG23 THR A 76 121.085 10.006 6.571 1.00 0.00 H new ATOM 1209 N HIS A 77 120.133 6.653 6.742 1.00 0.00 N ATOM 1210 CA HIS A 77 120.540 5.308 7.215 1.00 0.00 C ATOM 1211 C HIS A 77 120.565 5.200 8.705 1.00 0.00 C ATOM 1212 O HIS A 77 119.919 4.332 9.258 1.00 0.00 O ATOM 1213 CB HIS A 77 121.899 4.896 6.617 1.00 0.00 C ATOM 1214 CG HIS A 77 122.542 3.653 7.220 1.00 0.00 C ATOM 1215 ND1 HIS A 77 122.068 2.365 7.081 1.00 0.00 N ATOM 1216 CD2 HIS A 77 123.661 3.551 7.984 1.00 0.00 C ATOM 1217 CE1 HIS A 77 122.895 1.550 7.745 1.00 0.00 C ATOM 1218 NE2 HIS A 77 123.881 2.221 8.311 1.00 0.00 N ATOM 0 H HIS A 77 120.741 7.038 6.019 1.00 0.00 H new ATOM 0 HA HIS A 77 119.777 4.615 6.861 1.00 0.00 H new ATOM 0 HB2 HIS A 77 121.769 4.731 5.547 1.00 0.00 H new ATOM 0 HB3 HIS A 77 122.591 5.730 6.729 1.00 0.00 H new ATOM 0 HD2 HIS A 77 124.284 4.379 8.290 1.00 0.00 H new ATOM 0 HE1 HIS A 77 122.772 0.479 7.810 1.00 0.00 H new ATOM 0 HE2 HIS A 77 124.644 1.841 8.871 1.00 0.00 H new ATOM 1226 N ALA A 78 121.224 6.121 9.340 1.00 0.00 N ATOM 1227 CA ALA A 78 121.386 6.099 10.772 1.00 0.00 C ATOM 1228 C ALA A 78 120.037 6.193 11.475 1.00 0.00 C ATOM 1229 O ALA A 78 119.825 5.582 12.526 1.00 0.00 O ATOM 1230 CB ALA A 78 122.321 7.204 11.206 1.00 0.00 C ATOM 0 H ALA A 78 121.669 6.916 8.882 1.00 0.00 H new ATOM 0 HA ALA A 78 121.832 5.147 11.061 1.00 0.00 H new ATOM 0 HB1 ALA A 78 122.436 7.178 12.290 1.00 0.00 H new ATOM 0 HB2 ALA A 78 123.294 7.064 10.734 1.00 0.00 H new ATOM 0 HB3 ALA A 78 121.908 8.168 10.908 1.00 0.00 H new ATOM 1236 N GLN A 79 119.104 6.892 10.850 1.00 0.00 N ATOM 1237 CA GLN A 79 117.790 7.063 11.403 1.00 0.00 C ATOM 1238 C GLN A 79 116.976 5.775 11.225 1.00 0.00 C ATOM 1239 O GLN A 79 116.430 5.214 12.194 1.00 0.00 O ATOM 1240 CB GLN A 79 117.059 8.219 10.713 1.00 0.00 C ATOM 1241 CG GLN A 79 117.722 9.582 10.813 1.00 0.00 C ATOM 1242 CD GLN A 79 117.915 10.060 12.223 1.00 0.00 C ATOM 1243 OE1 GLN A 79 117.031 10.683 12.804 1.00 0.00 O ATOM 1244 NE2 GLN A 79 119.084 9.849 12.747 1.00 0.00 N ATOM 0 H GLN A 79 119.245 7.351 9.950 1.00 0.00 H new ATOM 0 HA GLN A 79 117.893 7.291 12.464 1.00 0.00 H new ATOM 0 HB2 GLN A 79 116.942 7.971 9.658 1.00 0.00 H new ATOM 0 HB3 GLN A 79 116.057 8.293 11.136 1.00 0.00 H new ATOM 0 HG2 GLN A 79 118.692 9.541 10.317 1.00 0.00 H new ATOM 0 HG3 GLN A 79 117.118 10.310 10.272 1.00 0.00 H new ATOM 0 HE21 GLN A 79 119.789 9.326 12.228 1.00 0.00 H new ATOM 0 HE22 GLN A 79 119.298 10.207 13.678 1.00 0.00 H new ATOM 1253 N VAL A 80 116.931 5.295 9.987 1.00 0.00 N ATOM 1254 CA VAL A 80 116.153 4.119 9.645 1.00 0.00 C ATOM 1255 C VAL A 80 116.680 2.865 10.346 1.00 0.00 C ATOM 1256 O VAL A 80 115.899 2.094 10.923 1.00 0.00 O ATOM 1257 CB VAL A 80 116.014 3.902 8.096 1.00 0.00 C ATOM 1258 CG1 VAL A 80 117.367 3.776 7.407 1.00 0.00 C ATOM 1259 CG2 VAL A 80 115.151 2.681 7.822 1.00 0.00 C ATOM 0 H VAL A 80 117.430 5.710 9.200 1.00 0.00 H new ATOM 0 HA VAL A 80 115.146 4.306 10.017 1.00 0.00 H new ATOM 0 HB VAL A 80 115.531 4.785 7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 80 117.218 3.627 6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 80 117.944 4.686 7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 80 117.908 2.924 7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 80 115.058 2.535 6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 80 115.614 1.801 8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 80 114.162 2.830 8.255 1.00 0.00 H new ATOM 1269 N VAL A 81 118.001 2.703 10.362 1.00 0.00 N ATOM 1270 CA VAL A 81 118.626 1.558 10.996 1.00 0.00 C ATOM 1271 C VAL A 81 118.340 1.581 12.475 1.00 0.00 C ATOM 1272 O VAL A 81 118.114 0.560 13.068 1.00 0.00 O ATOM 1273 CB VAL A 81 120.172 1.414 10.708 1.00 0.00 C ATOM 1274 CG1 VAL A 81 121.013 2.467 11.416 1.00 0.00 C ATOM 1275 CG2 VAL A 81 120.670 0.011 11.035 1.00 0.00 C ATOM 0 H VAL A 81 118.658 3.358 9.939 1.00 0.00 H new ATOM 0 HA VAL A 81 118.181 0.671 10.546 1.00 0.00 H new ATOM 0 HB VAL A 81 120.296 1.585 9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 81 122.065 2.313 11.177 1.00 0.00 H new ATOM 0 HG12 VAL A 81 120.707 3.460 11.085 1.00 0.00 H new ATOM 0 HG13 VAL A 81 120.869 2.383 12.493 1.00 0.00 H new ATOM 0 HG21 VAL A 81 121.738 -0.054 10.825 1.00 0.00 H new ATOM 0 HG22 VAL A 81 120.494 -0.201 12.089 1.00 0.00 H new ATOM 0 HG23 VAL A 81 120.135 -0.716 10.424 1.00 0.00 H new ATOM 1285 N LYS A 82 118.299 2.769 13.050 1.00 0.00 N ATOM 1286 CA LYS A 82 117.975 2.915 14.436 1.00 0.00 C ATOM 1287 C LYS A 82 116.564 2.371 14.731 1.00 0.00 C ATOM 1288 O LYS A 82 116.378 1.653 15.696 1.00 0.00 O ATOM 1289 CB LYS A 82 118.158 4.390 14.839 1.00 0.00 C ATOM 1290 CG LYS A 82 117.863 4.775 16.301 1.00 0.00 C ATOM 1291 CD LYS A 82 116.374 4.996 16.584 1.00 0.00 C ATOM 1292 CE LYS A 82 115.813 6.163 15.778 1.00 0.00 C ATOM 1293 NZ LYS A 82 114.408 6.441 16.121 1.00 0.00 N ATOM 0 H LYS A 82 118.489 3.646 12.565 1.00 0.00 H new ATOM 0 HA LYS A 82 118.652 2.319 15.048 1.00 0.00 H new ATOM 0 HB2 LYS A 82 119.188 4.672 14.619 1.00 0.00 H new ATOM 0 HB3 LYS A 82 117.518 4.995 14.197 1.00 0.00 H new ATOM 0 HG2 LYS A 82 118.237 3.990 16.958 1.00 0.00 H new ATOM 0 HG3 LYS A 82 118.411 5.685 16.547 1.00 0.00 H new ATOM 0 HD2 LYS A 82 115.820 4.089 16.344 1.00 0.00 H new ATOM 0 HD3 LYS A 82 116.230 5.186 17.648 1.00 0.00 H new ATOM 0 HE2 LYS A 82 116.415 7.053 15.961 1.00 0.00 H new ATOM 0 HE3 LYS A 82 115.890 5.940 14.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 114.008 7.108 15.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 113.864 5.555 16.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 114.359 6.857 17.073 1.00 0.00 H new ATOM 1307 N ILE A 83 115.600 2.646 13.861 1.00 0.00 N ATOM 1308 CA ILE A 83 114.216 2.220 14.117 1.00 0.00 C ATOM 1309 C ILE A 83 114.109 0.712 13.941 1.00 0.00 C ATOM 1310 O ILE A 83 113.652 -0.040 14.839 1.00 0.00 O ATOM 1311 CB ILE A 83 113.218 2.909 13.146 1.00 0.00 C ATOM 1312 CG1 ILE A 83 113.290 4.431 13.284 1.00 0.00 C ATOM 1313 CG2 ILE A 83 111.785 2.420 13.389 1.00 0.00 C ATOM 1314 CD1 ILE A 83 112.376 5.162 12.332 1.00 0.00 C ATOM 0 H ILE A 83 115.739 3.152 12.986 1.00 0.00 H new ATOM 0 HA ILE A 83 113.961 2.507 15.137 1.00 0.00 H new ATOM 0 HB ILE A 83 113.503 2.639 12.129 1.00 0.00 H new ATOM 0 HG12 ILE A 83 113.034 4.708 14.307 1.00 0.00 H new ATOM 0 HG13 ILE A 83 114.316 4.756 13.113 1.00 0.00 H new ATOM 0 HG21 ILE A 83 111.108 2.919 12.696 1.00 0.00 H new ATOM 0 HG22 ILE A 83 111.737 1.343 13.232 1.00 0.00 H new ATOM 0 HG23 ILE A 83 111.491 2.651 14.413 1.00 0.00 H new ATOM 0 HD11 ILE A 83 112.477 6.237 12.483 1.00 0.00 H new ATOM 0 HD12 ILE A 83 112.646 4.913 11.306 1.00 0.00 H new ATOM 0 HD13 ILE A 83 111.344 4.865 12.518 1.00 0.00 H new ATOM 1326 N PHE A 84 114.609 0.293 12.822 1.00 0.00 N ATOM 1327 CA PHE A 84 114.564 -1.061 12.373 1.00 0.00 C ATOM 1328 C PHE A 84 115.370 -2.010 13.265 1.00 0.00 C ATOM 1329 O PHE A 84 114.980 -3.147 13.470 1.00 0.00 O ATOM 1330 CB PHE A 84 115.017 -1.107 10.920 1.00 0.00 C ATOM 1331 CG PHE A 84 113.952 -0.702 9.907 1.00 0.00 C ATOM 1332 CD1 PHE A 84 113.252 0.482 10.042 1.00 0.00 C ATOM 1333 CD2 PHE A 84 113.651 -1.518 8.828 1.00 0.00 C ATOM 1334 CE1 PHE A 84 112.284 0.846 9.134 1.00 0.00 C ATOM 1335 CE2 PHE A 84 112.682 -1.159 7.912 1.00 0.00 C ATOM 1336 CZ PHE A 84 111.997 0.025 8.065 1.00 0.00 C ATOM 0 H PHE A 84 115.082 0.915 12.167 1.00 0.00 H new ATOM 0 HA PHE A 84 113.537 -1.420 12.442 1.00 0.00 H new ATOM 0 HB2 PHE A 84 115.880 -0.451 10.802 1.00 0.00 H new ATOM 0 HB3 PHE A 84 115.352 -2.118 10.690 1.00 0.00 H new ATOM 0 HD1 PHE A 84 113.469 1.134 10.876 1.00 0.00 H new ATOM 0 HD2 PHE A 84 114.183 -2.449 8.702 1.00 0.00 H new ATOM 0 HE1 PHE A 84 111.749 1.776 9.259 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.462 -1.807 7.076 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.238 0.309 7.351 1.00 0.00 H new ATOM 1346 N GLN A 85 116.470 -1.536 13.798 1.00 0.00 N ATOM 1347 CA GLN A 85 117.276 -2.330 14.701 1.00 0.00 C ATOM 1348 C GLN A 85 116.799 -2.241 16.158 1.00 0.00 C ATOM 1349 O GLN A 85 117.198 -3.055 16.994 1.00 0.00 O ATOM 1350 CB GLN A 85 118.774 -2.013 14.556 1.00 0.00 C ATOM 1351 CG GLN A 85 119.418 -2.628 13.324 1.00 0.00 C ATOM 1352 CD GLN A 85 119.313 -4.143 13.314 1.00 0.00 C ATOM 1353 OE1 GLN A 85 119.278 -4.779 14.359 1.00 0.00 O ATOM 1354 NE2 GLN A 85 119.295 -4.727 12.156 1.00 0.00 N ATOM 0 H GLN A 85 116.831 -0.599 13.622 1.00 0.00 H new ATOM 0 HA GLN A 85 117.140 -3.370 14.406 1.00 0.00 H new ATOM 0 HB2 GLN A 85 118.905 -0.931 14.520 1.00 0.00 H new ATOM 0 HB3 GLN A 85 119.298 -2.368 15.443 1.00 0.00 H new ATOM 0 HG2 GLN A 85 118.942 -2.227 12.429 1.00 0.00 H new ATOM 0 HG3 GLN A 85 120.468 -2.339 13.283 1.00 0.00 H new ATOM 0 HE21 GLN A 85 119.325 -4.169 11.303 1.00 0.00 H new ATOM 0 HE22 GLN A 85 119.251 -5.744 12.099 1.00 0.00 H new ATOM 1363 N SER A 86 115.957 -1.258 16.477 1.00 0.00 N ATOM 1364 CA SER A 86 115.381 -1.183 17.822 1.00 0.00 C ATOM 1365 C SER A 86 114.176 -2.101 17.929 1.00 0.00 C ATOM 1366 O SER A 86 113.713 -2.403 19.031 1.00 0.00 O ATOM 1367 CB SER A 86 114.987 0.247 18.201 1.00 0.00 C ATOM 1368 OG SER A 86 116.118 1.105 18.203 1.00 0.00 O ATOM 0 H SER A 86 115.663 -0.518 15.840 1.00 0.00 H new ATOM 0 HA SER A 86 116.150 -1.508 18.523 1.00 0.00 H new ATOM 0 HB2 SER A 86 114.244 0.621 17.497 1.00 0.00 H new ATOM 0 HB3 SER A 86 114.522 0.250 19.187 1.00 0.00 H new ATOM 0 HG SER A 86 116.159 1.594 17.355 1.00 0.00 H new ATOM 1374 N ILE A 87 113.669 -2.510 16.770 1.00 0.00 N ATOM 1375 CA ILE A 87 112.562 -3.433 16.644 1.00 0.00 C ATOM 1376 C ILE A 87 112.628 -4.667 17.596 1.00 0.00 C ATOM 1377 O ILE A 87 113.691 -5.267 17.797 1.00 0.00 O ATOM 1378 CB ILE A 87 112.418 -3.918 15.175 1.00 0.00 C ATOM 1379 CG1 ILE A 87 111.826 -2.837 14.291 1.00 0.00 C ATOM 1380 CG2 ILE A 87 111.627 -5.177 15.061 1.00 0.00 C ATOM 1381 CD1 ILE A 87 111.338 -3.351 12.958 1.00 0.00 C ATOM 0 H ILE A 87 114.032 -2.195 15.870 1.00 0.00 H new ATOM 0 HA ILE A 87 111.685 -2.862 16.949 1.00 0.00 H new ATOM 0 HB ILE A 87 113.427 -4.138 14.826 1.00 0.00 H new ATOM 0 HG12 ILE A 87 110.996 -2.364 14.815 1.00 0.00 H new ATOM 0 HG13 ILE A 87 112.577 -2.065 14.121 1.00 0.00 H new ATOM 0 HG21 ILE A 87 111.558 -5.470 14.013 1.00 0.00 H new ATOM 0 HG22 ILE A 87 112.119 -5.968 15.627 1.00 0.00 H new ATOM 0 HG23 ILE A 87 110.625 -5.015 15.459 1.00 0.00 H new ATOM 0 HD11 ILE A 87 110.927 -2.525 12.378 1.00 0.00 H new ATOM 0 HD12 ILE A 87 112.170 -3.798 12.414 1.00 0.00 H new ATOM 0 HD13 ILE A 87 110.564 -4.101 13.119 1.00 0.00 H new ATOM 1393 N PRO A 88 111.468 -5.048 18.177 1.00 0.00 N ATOM 1394 CA PRO A 88 111.342 -6.219 19.008 1.00 0.00 C ATOM 1395 C PRO A 88 110.828 -7.421 18.189 1.00 0.00 C ATOM 1396 O PRO A 88 110.082 -7.273 17.198 1.00 0.00 O ATOM 1397 CB PRO A 88 110.283 -5.782 20.028 1.00 0.00 C ATOM 1398 CG PRO A 88 109.470 -4.708 19.346 1.00 0.00 C ATOM 1399 CD PRO A 88 110.172 -4.367 18.053 1.00 0.00 C ATOM 0 HA PRO A 88 112.284 -6.539 19.453 1.00 0.00 H new ATOM 0 HB2 PRO A 88 109.653 -6.622 20.321 1.00 0.00 H new ATOM 0 HB3 PRO A 88 110.749 -5.401 20.937 1.00 0.00 H new ATOM 0 HG2 PRO A 88 108.456 -5.058 19.152 1.00 0.00 H new ATOM 0 HG3 PRO A 88 109.387 -3.827 19.982 1.00 0.00 H new ATOM 0 HD2 PRO A 88 109.613 -4.722 17.187 1.00 0.00 H new ATOM 0 HD3 PRO A 88 110.294 -3.290 17.934 1.00 0.00 H new ATOM 1407 N ILE A 89 111.261 -8.584 18.575 1.00 0.00 N ATOM 1408 CA ILE A 89 110.853 -9.828 17.937 1.00 0.00 C ATOM 1409 C ILE A 89 109.363 -10.061 18.225 1.00 0.00 C ATOM 1410 O ILE A 89 108.904 -9.803 19.352 1.00 0.00 O ATOM 1411 CB ILE A 89 111.621 -11.023 18.562 1.00 0.00 C ATOM 1412 CG1 ILE A 89 113.110 -10.715 18.701 1.00 0.00 C ATOM 1413 CG2 ILE A 89 111.405 -12.293 17.751 1.00 0.00 C ATOM 1414 CD1 ILE A 89 113.891 -11.759 19.446 1.00 0.00 C ATOM 0 H ILE A 89 111.914 -8.711 19.348 1.00 0.00 H new ATOM 0 HA ILE A 89 111.056 -9.758 16.868 1.00 0.00 H new ATOM 0 HB ILE A 89 111.220 -11.186 19.562 1.00 0.00 H new ATOM 0 HG12 ILE A 89 113.539 -10.598 17.706 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.225 -9.759 19.212 1.00 0.00 H new ATOM 0 HG21 ILE A 89 111.954 -13.115 18.210 1.00 0.00 H new ATOM 0 HG22 ILE A 89 110.342 -12.534 17.728 1.00 0.00 H new ATOM 0 HG23 ILE A 89 111.764 -12.140 16.733 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.938 -11.461 19.499 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.492 -11.861 20.455 1.00 0.00 H new ATOM 0 HD13 ILE A 89 113.811 -12.714 18.926 1.00 0.00 H new ATOM 1426 N GLY A 90 108.626 -10.533 17.241 1.00 0.00 N ATOM 1427 CA GLY A 90 107.236 -10.835 17.457 1.00 0.00 C ATOM 1428 C GLY A 90 106.352 -9.690 17.077 1.00 0.00 C ATOM 1429 O GLY A 90 105.162 -9.686 17.379 1.00 0.00 O ATOM 0 H GLY A 90 108.966 -10.712 16.296 1.00 0.00 H new ATOM 0 HA2 GLY A 90 106.961 -11.715 16.875 1.00 0.00 H new ATOM 0 HA3 GLY A 90 107.077 -11.084 18.506 1.00 0.00 H new ATOM 1433 N ALA A 91 106.911 -8.722 16.408 1.00 0.00 N ATOM 1434 CA ALA A 91 106.161 -7.510 16.118 1.00 0.00 C ATOM 1435 C ALA A 91 105.576 -7.551 14.699 1.00 0.00 C ATOM 1436 O ALA A 91 105.693 -8.540 14.009 1.00 0.00 O ATOM 1437 CB ALA A 91 107.007 -6.263 16.388 1.00 0.00 C ATOM 0 H ALA A 91 107.867 -8.736 16.053 1.00 0.00 H new ATOM 0 HA ALA A 91 105.310 -7.454 16.797 1.00 0.00 H new ATOM 0 HB1 ALA A 91 106.422 -5.371 16.163 1.00 0.00 H new ATOM 0 HB2 ALA A 91 107.306 -6.246 17.436 1.00 0.00 H new ATOM 0 HB3 ALA A 91 107.896 -6.283 15.757 1.00 0.00 H new ATOM 1443 N SER A 92 104.936 -6.496 14.286 1.00 0.00 N ATOM 1444 CA SER A 92 104.218 -6.471 13.011 1.00 0.00 C ATOM 1445 C SER A 92 104.204 -5.075 12.395 1.00 0.00 C ATOM 1446 O SER A 92 104.062 -4.102 13.117 1.00 0.00 O ATOM 1447 CB SER A 92 102.805 -6.976 13.267 1.00 0.00 C ATOM 1448 OG SER A 92 102.274 -6.399 14.449 1.00 0.00 O ATOM 0 H SER A 92 104.887 -5.622 14.810 1.00 0.00 H new ATOM 0 HA SER A 92 104.725 -7.113 12.290 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.166 -6.731 12.418 1.00 0.00 H new ATOM 0 HB3 SER A 92 102.812 -8.062 13.358 1.00 0.00 H new ATOM 0 HG SER A 92 101.365 -6.734 14.597 1.00 0.00 H new ATOM 1454 N VAL A 93 104.408 -4.985 11.083 1.00 0.00 N ATOM 1455 CA VAL A 93 104.312 -3.714 10.351 1.00 0.00 C ATOM 1456 C VAL A 93 103.939 -3.927 8.879 1.00 0.00 C ATOM 1457 O VAL A 93 104.352 -4.887 8.266 1.00 0.00 O ATOM 1458 CB VAL A 93 105.619 -2.825 10.394 1.00 0.00 C ATOM 1459 CG1 VAL A 93 105.815 -2.025 11.654 1.00 0.00 C ATOM 1460 CG2 VAL A 93 106.865 -3.549 9.924 1.00 0.00 C ATOM 0 H VAL A 93 104.644 -5.784 10.495 1.00 0.00 H new ATOM 0 HA VAL A 93 103.524 -3.178 10.879 1.00 0.00 H new ATOM 0 HB VAL A 93 105.430 -2.059 9.641 1.00 0.00 H new ATOM 0 HG11 VAL A 93 106.739 -1.452 11.581 1.00 0.00 H new ATOM 0 HG12 VAL A 93 104.975 -1.344 11.787 1.00 0.00 H new ATOM 0 HG13 VAL A 93 105.873 -2.700 12.508 1.00 0.00 H new ATOM 0 HG21 VAL A 93 107.720 -2.876 9.982 1.00 0.00 H new ATOM 0 HG22 VAL A 93 107.043 -4.417 10.559 1.00 0.00 H new ATOM 0 HG23 VAL A 93 106.729 -3.875 8.893 1.00 0.00 H new ATOM 1470 N ASP A 94 103.135 -3.014 8.368 1.00 0.00 N ATOM 1471 CA ASP A 94 102.773 -2.885 6.960 1.00 0.00 C ATOM 1472 C ASP A 94 103.924 -2.228 6.249 1.00 0.00 C ATOM 1473 O ASP A 94 104.166 -1.014 6.408 1.00 0.00 O ATOM 1474 CB ASP A 94 101.576 -1.931 6.813 1.00 0.00 C ATOM 1475 CG ASP A 94 100.254 -2.489 7.258 1.00 0.00 C ATOM 1476 OD1 ASP A 94 99.692 -3.361 6.569 1.00 0.00 O ATOM 1477 OD2 ASP A 94 99.731 -2.030 8.297 1.00 0.00 O ATOM 0 H ASP A 94 102.691 -2.303 8.950 1.00 0.00 H new ATOM 0 HA ASP A 94 102.534 -3.869 6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 94 101.781 -1.026 7.385 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.494 -1.636 5.767 1.00 0.00 H new ATOM 1482 N LEU A 95 104.616 -2.969 5.501 1.00 0.00 N ATOM 1483 CA LEU A 95 105.744 -2.468 4.812 1.00 0.00 C ATOM 1484 C LEU A 95 105.343 -2.085 3.403 1.00 0.00 C ATOM 1485 O LEU A 95 104.876 -2.925 2.623 1.00 0.00 O ATOM 1486 CB LEU A 95 106.831 -3.514 4.806 1.00 0.00 C ATOM 1487 CG LEU A 95 108.244 -2.990 4.840 1.00 0.00 C ATOM 1488 CD1 LEU A 95 108.462 -2.227 6.140 1.00 0.00 C ATOM 1489 CD2 LEU A 95 109.203 -4.139 4.748 1.00 0.00 C ATOM 0 H LEU A 95 104.424 -3.957 5.338 1.00 0.00 H new ATOM 0 HA LEU A 95 106.127 -1.579 5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.685 -4.168 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 95 106.713 -4.129 3.914 1.00 0.00 H new ATOM 0 HG LEU A 95 108.413 -2.319 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 95 109.482 -1.845 6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 95 107.761 -1.394 6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 95 108.299 -2.895 6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 95 110.226 -3.762 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 95 109.045 -4.813 5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 95 109.037 -4.678 3.815 1.00 0.00 H new ATOM 1501 N GLU A 96 105.499 -0.831 3.096 1.00 0.00 N ATOM 1502 CA GLU A 96 105.114 -0.291 1.824 1.00 0.00 C ATOM 1503 C GLU A 96 106.352 -0.157 0.968 1.00 0.00 C ATOM 1504 O GLU A 96 107.294 0.586 1.312 1.00 0.00 O ATOM 1505 CB GLU A 96 104.446 1.058 2.036 1.00 0.00 C ATOM 1506 CG GLU A 96 103.317 1.002 3.052 1.00 0.00 C ATOM 1507 CD GLU A 96 102.692 2.333 3.302 1.00 0.00 C ATOM 1508 OE1 GLU A 96 103.297 3.159 4.004 1.00 0.00 O ATOM 1509 OE2 GLU A 96 101.562 2.573 2.827 1.00 0.00 O ATOM 0 H GLU A 96 105.903 -0.143 3.732 1.00 0.00 H new ATOM 0 HA GLU A 96 104.404 -0.948 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 96 105.192 1.780 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 96 104.055 1.418 1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 96 102.553 0.308 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 96 103.700 0.604 3.992 1.00 0.00 H new ATOM 1516 N LEU A 97 106.379 -0.880 -0.104 1.00 0.00 N ATOM 1517 CA LEU A 97 107.530 -0.930 -0.951 1.00 0.00 C ATOM 1518 C LEU A 97 107.115 -0.985 -2.402 1.00 0.00 C ATOM 1519 O LEU A 97 105.962 -1.307 -2.715 1.00 0.00 O ATOM 1520 CB LEU A 97 108.446 -2.126 -0.560 1.00 0.00 C ATOM 1521 CG LEU A 97 108.012 -3.598 -0.864 1.00 0.00 C ATOM 1522 CD1 LEU A 97 108.981 -4.514 -0.185 1.00 0.00 C ATOM 1523 CD2 LEU A 97 106.614 -3.921 -0.364 1.00 0.00 C ATOM 0 H LEU A 97 105.599 -1.457 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 97 108.111 -0.019 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 97 109.407 -1.967 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 97 108.621 -2.058 0.514 1.00 0.00 H new ATOM 0 HG LEU A 97 108.007 -3.727 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 97 108.701 -5.549 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 97 109.985 -4.331 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 97 108.964 -4.330 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 97 106.371 -4.956 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 97 106.572 -3.781 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 97 105.894 -3.258 -0.844 1.00 0.00 H new ATOM 1535 N CYS A 98 108.011 -0.635 -3.266 1.00 0.00 N ATOM 1536 CA CYS A 98 107.740 -0.677 -4.662 1.00 0.00 C ATOM 1537 C CYS A 98 108.581 -1.740 -5.337 1.00 0.00 C ATOM 1538 O CYS A 98 109.808 -1.789 -5.183 1.00 0.00 O ATOM 1539 CB CYS A 98 107.918 0.697 -5.311 1.00 0.00 C ATOM 1540 SG CYS A 98 106.797 1.970 -4.659 1.00 0.00 S ATOM 0 H CYS A 98 108.948 -0.313 -3.023 1.00 0.00 H new ATOM 0 HA CYS A 98 106.694 -0.951 -4.797 1.00 0.00 H new ATOM 0 HB2 CYS A 98 108.947 1.025 -5.167 1.00 0.00 H new ATOM 0 HB3 CYS A 98 107.760 0.604 -6.385 1.00 0.00 H new ATOM 0 HG CYS A 98 105.852 1.404 -3.968 1.00 0.00 H new ATOM 1546 N ARG A 99 107.915 -2.582 -6.058 1.00 0.00 N ATOM 1547 CA ARG A 99 108.513 -3.686 -6.757 1.00 0.00 C ATOM 1548 C ARG A 99 108.731 -3.252 -8.186 1.00 0.00 C ATOM 1549 O ARG A 99 107.923 -2.504 -8.715 1.00 0.00 O ATOM 1550 CB ARG A 99 107.521 -4.837 -6.724 1.00 0.00 C ATOM 1551 CG ARG A 99 107.916 -6.093 -7.455 1.00 0.00 C ATOM 1552 CD ARG A 99 109.028 -6.795 -6.744 1.00 0.00 C ATOM 1553 NE ARG A 99 108.637 -7.119 -5.407 1.00 0.00 N ATOM 1554 CZ ARG A 99 108.036 -8.195 -4.995 1.00 0.00 C ATOM 1555 NH1 ARG A 99 107.647 -9.128 -5.851 1.00 0.00 N ATOM 1556 NH2 ARG A 99 107.815 -8.325 -3.719 1.00 0.00 N ATOM 0 H ARG A 99 106.905 -2.523 -6.185 1.00 0.00 H new ATOM 0 HA ARG A 99 109.458 -3.991 -6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 99 107.334 -5.095 -5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 99 106.577 -4.484 -7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.055 -6.757 -7.538 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.227 -5.846 -8.470 1.00 0.00 H new ATOM 0 HD2 ARG A 99 109.296 -7.704 -7.282 1.00 0.00 H new ATOM 0 HD3 ARG A 99 109.915 -6.162 -6.727 1.00 0.00 H new ATOM 0 HE ARG A 99 108.855 -6.424 -4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 99 107.818 -9.007 -6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.176 -9.967 -5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 99 108.111 -7.593 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 99 107.345 -9.158 -3.365 1.00 0.00 H new ATOM 1570 N GLY A 100 109.780 -3.716 -8.808 1.00 0.00 N ATOM 1571 CA GLY A 100 110.035 -3.326 -10.173 1.00 0.00 C ATOM 1572 C GLY A 100 111.490 -3.089 -10.420 1.00 0.00 C ATOM 1573 O GLY A 100 111.988 -3.323 -11.521 1.00 0.00 O ATOM 0 H GLY A 100 110.464 -4.355 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 100 109.674 -4.103 -10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 100 109.475 -2.420 -10.403 1.00 0.00 H new ATOM 1577 N TYR A 101 112.177 -2.621 -9.406 1.00 0.00 N ATOM 1578 CA TYR A 101 113.601 -2.403 -9.495 1.00 0.00 C ATOM 1579 C TYR A 101 114.344 -3.713 -9.382 1.00 0.00 C ATOM 1580 O TYR A 101 114.111 -4.481 -8.468 1.00 0.00 O ATOM 1581 CB TYR A 101 114.094 -1.423 -8.428 1.00 0.00 C ATOM 1582 CG TYR A 101 113.985 0.028 -8.819 1.00 0.00 C ATOM 1583 CD1 TYR A 101 114.978 0.617 -9.589 1.00 0.00 C ATOM 1584 CD2 TYR A 101 112.916 0.811 -8.421 1.00 0.00 C ATOM 1585 CE1 TYR A 101 114.910 1.941 -9.951 1.00 0.00 C ATOM 1586 CE2 TYR A 101 112.841 2.144 -8.779 1.00 0.00 C ATOM 1587 CZ TYR A 101 113.843 2.701 -9.541 1.00 0.00 C ATOM 1588 OH TYR A 101 113.773 4.020 -9.910 1.00 0.00 O ATOM 0 H TYR A 101 111.769 -2.382 -8.502 1.00 0.00 H new ATOM 0 HA TYR A 101 113.803 -1.961 -10.471 1.00 0.00 H new ATOM 0 HB2 TYR A 101 113.524 -1.584 -7.513 1.00 0.00 H new ATOM 0 HB3 TYR A 101 115.136 -1.648 -8.199 1.00 0.00 H new ATOM 0 HD1 TYR A 101 115.821 0.023 -9.910 1.00 0.00 H new ATOM 0 HD2 TYR A 101 112.130 0.375 -7.823 1.00 0.00 H new ATOM 0 HE1 TYR A 101 115.691 2.381 -10.554 1.00 0.00 H new ATOM 0 HE2 TYR A 101 112.001 2.745 -8.463 1.00 0.00 H new ATOM 0 HH TYR A 101 112.842 4.256 -10.105 1.00 0.00 H new ATOM 1598 N PRO A 102 115.188 -4.025 -10.347 1.00 0.00 N ATOM 1599 CA PRO A 102 116.012 -5.208 -10.289 1.00 0.00 C ATOM 1600 C PRO A 102 117.288 -4.909 -9.519 1.00 0.00 C ATOM 1601 O PRO A 102 117.456 -3.813 -8.957 1.00 0.00 O ATOM 1602 CB PRO A 102 116.326 -5.468 -11.763 1.00 0.00 C ATOM 1603 CG PRO A 102 116.351 -4.116 -12.391 1.00 0.00 C ATOM 1604 CD PRO A 102 115.412 -3.251 -11.591 1.00 0.00 C ATOM 0 HA PRO A 102 115.538 -6.054 -9.792 1.00 0.00 H new ATOM 0 HB2 PRO A 102 117.283 -5.976 -11.880 1.00 0.00 H new ATOM 0 HB3 PRO A 102 115.569 -6.104 -12.223 1.00 0.00 H new ATOM 0 HG2 PRO A 102 117.360 -3.703 -12.382 1.00 0.00 H new ATOM 0 HG3 PRO A 102 116.037 -4.167 -13.433 1.00 0.00 H new ATOM 0 HD2 PRO A 102 115.849 -2.275 -11.381 1.00 0.00 H new ATOM 0 HD3 PRO A 102 114.478 -3.074 -12.125 1.00 0.00 H new ATOM 1612 N LEU A 103 118.160 -5.863 -9.470 1.00 0.00 N ATOM 1613 CA LEU A 103 119.435 -5.696 -8.846 1.00 0.00 C ATOM 1614 C LEU A 103 120.489 -5.640 -9.946 1.00 0.00 C ATOM 1615 O LEU A 103 120.994 -6.670 -10.380 1.00 0.00 O ATOM 1616 CB LEU A 103 119.685 -6.870 -7.870 1.00 0.00 C ATOM 1617 CG LEU A 103 119.877 -6.535 -6.372 1.00 0.00 C ATOM 1618 CD1 LEU A 103 121.227 -5.893 -6.092 1.00 0.00 C ATOM 1619 CD2 LEU A 103 118.758 -5.634 -5.891 1.00 0.00 C ATOM 0 H LEU A 103 118.007 -6.791 -9.866 1.00 0.00 H new ATOM 0 HA LEU A 103 119.478 -4.774 -8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 103 118.845 -7.560 -7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 103 120.572 -7.405 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 103 119.848 -7.476 -5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 103 121.313 -5.677 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 103 122.023 -6.575 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 103 121.313 -4.966 -6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.904 -5.405 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 103 118.763 -4.709 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 103 117.801 -6.139 -6.024 1.00 0.00 H new ATOM 1631 N PRO A 104 120.798 -4.422 -10.467 1.00 0.00 N ATOM 1632 CA PRO A 104 121.798 -4.242 -11.531 1.00 0.00 C ATOM 1633 C PRO A 104 123.199 -4.396 -10.963 1.00 0.00 C ATOM 1634 O PRO A 104 124.188 -4.554 -11.685 1.00 0.00 O ATOM 1635 CB PRO A 104 121.565 -2.799 -12.011 1.00 0.00 C ATOM 1636 CG PRO A 104 120.295 -2.360 -11.353 1.00 0.00 C ATOM 1637 CD PRO A 104 120.206 -3.134 -10.083 1.00 0.00 C ATOM 0 HA PRO A 104 121.705 -4.973 -12.334 1.00 0.00 H new ATOM 0 HB2 PRO A 104 122.397 -2.153 -11.730 1.00 0.00 H new ATOM 0 HB3 PRO A 104 121.480 -2.755 -13.097 1.00 0.00 H new ATOM 0 HG2 PRO A 104 120.307 -1.288 -11.157 1.00 0.00 H new ATOM 0 HG3 PRO A 104 119.435 -2.558 -11.992 1.00 0.00 H new ATOM 0 HD2 PRO A 104 120.759 -2.656 -9.274 1.00 0.00 H new ATOM 0 HD3 PRO A 104 119.176 -3.244 -9.744 1.00 0.00 H new ATOM 1645 N PHE A 105 123.259 -4.333 -9.670 1.00 0.00 N ATOM 1646 CA PHE A 105 124.447 -4.550 -8.924 1.00 0.00 C ATOM 1647 C PHE A 105 124.349 -5.959 -8.397 1.00 0.00 C ATOM 1648 O PHE A 105 123.281 -6.576 -8.462 1.00 0.00 O ATOM 1649 CB PHE A 105 124.513 -3.567 -7.741 1.00 0.00 C ATOM 1650 CG PHE A 105 124.492 -2.113 -8.134 1.00 0.00 C ATOM 1651 CD1 PHE A 105 125.661 -1.457 -8.474 1.00 0.00 C ATOM 1652 CD2 PHE A 105 123.298 -1.406 -8.163 1.00 0.00 C ATOM 1653 CE1 PHE A 105 125.644 -0.123 -8.834 1.00 0.00 C ATOM 1654 CE2 PHE A 105 123.275 -0.074 -8.523 1.00 0.00 C ATOM 1655 CZ PHE A 105 124.449 0.569 -8.860 1.00 0.00 C ATOM 0 H PHE A 105 122.449 -4.121 -9.088 1.00 0.00 H new ATOM 0 HA PHE A 105 125.336 -4.402 -9.537 1.00 0.00 H new ATOM 0 HB2 PHE A 105 123.672 -3.762 -7.076 1.00 0.00 H new ATOM 0 HB3 PHE A 105 125.422 -3.763 -7.172 1.00 0.00 H new ATOM 0 HD1 PHE A 105 126.598 -1.994 -8.458 1.00 0.00 H new ATOM 0 HD2 PHE A 105 122.376 -1.904 -7.901 1.00 0.00 H new ATOM 0 HE1 PHE A 105 126.564 0.378 -9.095 1.00 0.00 H new ATOM 0 HE2 PHE A 105 122.339 0.465 -8.541 1.00 0.00 H new ATOM 0 HZ PHE A 105 124.433 1.611 -9.143 1.00 0.00 H new ATOM 1665 N ASP A 106 125.401 -6.482 -7.920 1.00 0.00 N ATOM 1666 CA ASP A 106 125.359 -7.796 -7.338 1.00 0.00 C ATOM 1667 C ASP A 106 125.590 -7.663 -5.894 1.00 0.00 C ATOM 1668 O ASP A 106 126.284 -6.766 -5.457 1.00 0.00 O ATOM 1669 CB ASP A 106 126.388 -8.750 -7.936 1.00 0.00 C ATOM 1670 CG ASP A 106 126.111 -9.137 -9.366 1.00 0.00 C ATOM 1671 OD1 ASP A 106 126.528 -8.403 -10.288 1.00 0.00 O ATOM 1672 OD2 ASP A 106 125.480 -10.204 -9.592 1.00 0.00 O ATOM 0 H ASP A 106 126.318 -6.035 -7.911 1.00 0.00 H new ATOM 0 HA ASP A 106 124.380 -8.227 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 106 127.373 -8.286 -7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 106 126.427 -9.653 -7.327 1.00 0.00 H new ATOM 1677 N PRO A 107 125.035 -8.554 -5.114 1.00 0.00 N ATOM 1678 CA PRO A 107 125.149 -8.553 -3.693 1.00 0.00 C ATOM 1679 C PRO A 107 126.277 -9.519 -3.341 1.00 0.00 C ATOM 1680 O PRO A 107 126.473 -9.929 -2.196 1.00 0.00 O ATOM 1681 CB PRO A 107 123.743 -9.102 -3.294 1.00 0.00 C ATOM 1682 CG PRO A 107 123.102 -9.507 -4.610 1.00 0.00 C ATOM 1683 CD PRO A 107 124.241 -9.695 -5.506 1.00 0.00 C ATOM 0 HA PRO A 107 125.381 -7.607 -3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 107 123.827 -9.951 -2.616 1.00 0.00 H new ATOM 0 HB3 PRO A 107 123.152 -8.343 -2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 107 122.519 -10.422 -4.507 1.00 0.00 H new ATOM 0 HG3 PRO A 107 122.425 -8.737 -4.979 1.00 0.00 H new ATOM 0 HD2 PRO A 107 124.755 -10.642 -5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 107 123.957 -9.668 -6.558 1.00 0.00 H new ATOM 1691 N ASP A 108 126.992 -9.870 -4.405 1.00 0.00 N ATOM 1692 CA ASP A 108 128.101 -10.751 -4.411 1.00 0.00 C ATOM 1693 C ASP A 108 129.337 -9.941 -4.825 1.00 0.00 C ATOM 1694 O ASP A 108 130.461 -10.435 -4.918 1.00 0.00 O ATOM 1695 CB ASP A 108 127.838 -11.898 -5.419 1.00 0.00 C ATOM 1696 CG ASP A 108 129.013 -12.849 -5.604 1.00 0.00 C ATOM 1697 OD1 ASP A 108 129.310 -13.637 -4.693 1.00 0.00 O ATOM 1698 OD2 ASP A 108 129.661 -12.816 -6.686 1.00 0.00 O ATOM 0 H ASP A 108 126.779 -9.510 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 108 128.259 -11.191 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 108 126.972 -12.469 -5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 108 127.580 -11.465 -6.385 1.00 0.00 H new ATOM 1703 N ASP A 109 129.104 -8.673 -5.030 1.00 0.00 N ATOM 1704 CA ASP A 109 130.082 -7.765 -5.566 1.00 0.00 C ATOM 1705 C ASP A 109 130.410 -6.706 -4.527 1.00 0.00 C ATOM 1706 O ASP A 109 129.545 -6.373 -3.724 1.00 0.00 O ATOM 1707 CB ASP A 109 129.488 -7.121 -6.837 1.00 0.00 C ATOM 1708 CG ASP A 109 130.394 -6.143 -7.544 1.00 0.00 C ATOM 1709 OD1 ASP A 109 131.284 -6.591 -8.291 1.00 0.00 O ATOM 1710 OD2 ASP A 109 130.189 -4.922 -7.428 1.00 0.00 O ATOM 0 H ASP A 109 128.208 -8.232 -4.824 1.00 0.00 H new ATOM 0 HA ASP A 109 131.004 -8.289 -5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 109 129.220 -7.914 -7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 109 128.565 -6.608 -6.568 1.00 0.00 H new ATOM 1715 N PRO A 110 131.687 -6.253 -4.488 1.00 0.00 N ATOM 1716 CA PRO A 110 132.212 -5.180 -3.647 1.00 0.00 C ATOM 1717 C PRO A 110 131.208 -4.186 -3.033 1.00 0.00 C ATOM 1718 O PRO A 110 130.749 -4.366 -1.898 1.00 0.00 O ATOM 1719 CB PRO A 110 133.032 -4.501 -4.708 1.00 0.00 C ATOM 1720 CG PRO A 110 133.824 -5.624 -5.239 1.00 0.00 C ATOM 1721 CD PRO A 110 132.822 -6.784 -5.294 1.00 0.00 C ATOM 0 HA PRO A 110 132.690 -5.552 -2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 110 132.409 -4.041 -5.475 1.00 0.00 H new ATOM 0 HB3 PRO A 110 133.663 -3.714 -4.296 1.00 0.00 H new ATOM 0 HG2 PRO A 110 134.228 -5.397 -6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 110 134.671 -5.857 -4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 110 132.523 -7.016 -6.316 1.00 0.00 H new ATOM 0 HD3 PRO A 110 133.233 -7.699 -4.867 1.00 0.00 H new ATOM 1729 N ASN A 111 130.927 -3.151 -3.790 1.00 0.00 N ATOM 1730 CA ASN A 111 130.011 -2.081 -3.469 1.00 0.00 C ATOM 1731 C ASN A 111 130.361 -1.382 -2.185 1.00 0.00 C ATOM 1732 O ASN A 111 129.700 -1.539 -1.141 1.00 0.00 O ATOM 1733 CB ASN A 111 128.553 -2.500 -3.554 1.00 0.00 C ATOM 1734 CG ASN A 111 128.246 -3.175 -4.878 1.00 0.00 C ATOM 1735 OD1 ASN A 111 128.981 -2.812 -5.916 1.00 0.00 O flip ATOM 1736 ND2 ASN A 111 127.351 -4.012 -4.964 1.00 0.00 N flip ATOM 0 H ASN A 111 131.360 -3.026 -4.705 1.00 0.00 H new ATOM 0 HA ASN A 111 130.137 -1.332 -4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 111 128.320 -3.180 -2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 111 127.914 -1.625 -3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 111 126.807 -4.264 -4.139 1.00 0.00 H new ATOM 0 HD22 ASN A 111 127.152 -4.455 -5.861 1.00 0.00 H new ATOM 1743 N THR A 112 131.433 -0.636 -2.266 1.00 0.00 N ATOM 1744 CA THR A 112 131.906 0.165 -1.182 1.00 0.00 C ATOM 1745 C THR A 112 131.131 1.508 -1.198 1.00 0.00 C ATOM 1746 O THR A 112 130.069 1.599 -1.824 1.00 0.00 O ATOM 1747 CB THR A 112 133.464 0.389 -1.304 1.00 0.00 C ATOM 1748 OG1 THR A 112 133.992 1.068 -0.146 1.00 0.00 O ATOM 1749 CG2 THR A 112 133.821 1.184 -2.562 1.00 0.00 C ATOM 0 H THR A 112 132.008 -0.572 -3.106 1.00 0.00 H new ATOM 0 HA THR A 112 131.731 -0.338 -0.231 1.00 0.00 H new ATOM 0 HB THR A 112 133.916 -0.601 -1.372 1.00 0.00 H new ATOM 0 HG1 THR A 112 134.959 1.190 -0.251 1.00 0.00 H new ATOM 0 HG21 THR A 112 134.901 1.319 -2.613 1.00 0.00 H new ATOM 0 HG22 THR A 112 133.481 0.641 -3.444 1.00 0.00 H new ATOM 0 HG23 THR A 112 133.335 2.159 -2.526 1.00 0.00 H new ATOM 1757 N SER A 113 131.649 2.510 -0.547 1.00 0.00 N ATOM 1758 CA SER A 113 131.028 3.781 -0.485 1.00 0.00 C ATOM 1759 C SER A 113 130.882 4.422 -1.869 1.00 0.00 C ATOM 1760 O SER A 113 131.875 4.678 -2.564 1.00 0.00 O ATOM 1761 CB SER A 113 131.830 4.651 0.466 1.00 0.00 C ATOM 1762 OG SER A 113 133.226 4.514 0.216 1.00 0.00 O ATOM 0 H SER A 113 132.531 2.455 -0.038 1.00 0.00 H new ATOM 0 HA SER A 113 130.010 3.671 -0.111 1.00 0.00 H new ATOM 0 HB2 SER A 113 131.535 5.694 0.350 1.00 0.00 H new ATOM 0 HB3 SER A 113 131.611 4.371 1.496 1.00 0.00 H new ATOM 0 HG SER A 113 133.388 4.522 -0.751 1.00 0.00 H new ATOM 1768 N LEU A 114 129.659 4.609 -2.296 1.00 0.00 N ATOM 1769 CA LEU A 114 129.411 5.289 -3.532 1.00 0.00 C ATOM 1770 C LEU A 114 129.418 6.768 -3.232 1.00 0.00 C ATOM 1771 O LEU A 114 128.485 7.312 -2.619 1.00 0.00 O ATOM 1772 CB LEU A 114 128.072 4.849 -4.130 1.00 0.00 C ATOM 1773 CG LEU A 114 127.902 3.335 -4.346 1.00 0.00 C ATOM 1774 CD1 LEU A 114 126.578 3.028 -5.011 1.00 0.00 C ATOM 1775 CD2 LEU A 114 129.059 2.757 -5.148 1.00 0.00 C ATOM 0 H LEU A 114 128.822 4.298 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 114 130.177 5.049 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 114 127.272 5.196 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 114 127.941 5.351 -5.089 1.00 0.00 H new ATOM 0 HG LEU A 114 127.907 2.859 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 114 126.483 1.951 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 114 125.763 3.385 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 114 126.533 3.526 -5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 114 128.909 1.686 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 114 129.105 3.243 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 114 129.993 2.928 -4.613 1.00 0.00 H new ATOM 1787 N VAL A 115 130.466 7.407 -3.625 1.00 0.00 N ATOM 1788 CA VAL A 115 130.675 8.775 -3.297 1.00 0.00 C ATOM 1789 C VAL A 115 130.286 9.676 -4.440 1.00 0.00 C ATOM 1790 O VAL A 115 130.721 9.498 -5.579 1.00 0.00 O ATOM 1791 CB VAL A 115 132.138 9.037 -2.847 1.00 0.00 C ATOM 1792 CG1 VAL A 115 132.359 10.505 -2.483 1.00 0.00 C ATOM 1793 CG2 VAL A 115 132.487 8.139 -1.663 1.00 0.00 C ATOM 0 H VAL A 115 131.208 6.991 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 115 130.027 9.010 -2.453 1.00 0.00 H new ATOM 0 HB VAL A 115 132.796 8.802 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 115 133.394 10.651 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 115 132.148 11.131 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 115 131.693 10.782 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 115 133.515 8.329 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 115 131.813 8.352 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 115 132.383 7.094 -1.956 1.00 0.00 H new ATOM 1803 N THR A 116 129.455 10.606 -4.115 1.00 0.00 N ATOM 1804 CA THR A 116 128.971 11.599 -5.002 1.00 0.00 C ATOM 1805 C THR A 116 129.250 12.923 -4.298 1.00 0.00 C ATOM 1806 O THR A 116 129.349 12.949 -3.056 1.00 0.00 O ATOM 1807 CB THR A 116 127.446 11.393 -5.273 1.00 0.00 C ATOM 1808 OG1 THR A 116 126.965 12.342 -6.237 1.00 0.00 O ATOM 1809 CG2 THR A 116 126.638 11.517 -3.995 1.00 0.00 C ATOM 0 H THR A 116 129.077 10.696 -3.172 1.00 0.00 H new ATOM 0 HA THR A 116 129.453 11.561 -5.979 1.00 0.00 H new ATOM 0 HB THR A 116 127.321 10.385 -5.670 1.00 0.00 H new ATOM 0 HG1 THR A 116 126.009 12.194 -6.393 1.00 0.00 H new ATOM 0 HG21 THR A 116 125.581 11.369 -4.217 1.00 0.00 H new ATOM 0 HG22 THR A 116 126.968 10.762 -3.281 1.00 0.00 H new ATOM 0 HG23 THR A 116 126.783 12.509 -3.568 1.00 0.00 H new ATOM 1817 N SER A 117 129.433 13.971 -5.053 1.00 0.00 N ATOM 1818 CA SER A 117 129.827 15.245 -4.503 1.00 0.00 C ATOM 1819 C SER A 117 128.680 15.898 -3.742 1.00 0.00 C ATOM 1820 O SER A 117 127.621 16.227 -4.307 1.00 0.00 O ATOM 1821 CB SER A 117 130.347 16.165 -5.607 1.00 0.00 C ATOM 1822 OG SER A 117 131.339 15.512 -6.407 1.00 0.00 O ATOM 0 H SER A 117 129.314 13.969 -6.066 1.00 0.00 H new ATOM 0 HA SER A 117 130.634 15.071 -3.792 1.00 0.00 H new ATOM 0 HB2 SER A 117 129.518 16.481 -6.240 1.00 0.00 H new ATOM 0 HB3 SER A 117 130.771 17.066 -5.163 1.00 0.00 H new ATOM 0 HG SER A 117 131.651 16.125 -7.105 1.00 0.00 H new ATOM 1828 N VAL A 118 128.890 16.048 -2.472 1.00 0.00 N ATOM 1829 CA VAL A 118 127.935 16.631 -1.581 1.00 0.00 C ATOM 1830 C VAL A 118 128.661 17.640 -0.692 1.00 0.00 C ATOM 1831 O VAL A 118 129.842 17.455 -0.385 1.00 0.00 O ATOM 1832 CB VAL A 118 127.254 15.516 -0.727 1.00 0.00 C ATOM 1833 CG1 VAL A 118 128.283 14.737 0.083 1.00 0.00 C ATOM 1834 CG2 VAL A 118 126.171 16.086 0.172 1.00 0.00 C ATOM 0 H VAL A 118 129.754 15.760 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 118 127.152 17.142 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 118 126.776 14.822 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 118 127.779 13.967 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 118 128.999 14.269 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 118 128.808 15.417 0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 118 125.719 15.281 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 118 126.609 16.819 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 118 125.407 16.567 -0.439 1.00 0.00 H new ATOM 1844 N ALA A 119 127.993 18.694 -0.313 1.00 0.00 N ATOM 1845 CA ALA A 119 128.584 19.684 0.537 1.00 0.00 C ATOM 1846 C ALA A 119 127.876 19.700 1.863 1.00 0.00 C ATOM 1847 O ALA A 119 126.703 20.064 1.964 1.00 0.00 O ATOM 1848 CB ALA A 119 128.557 21.040 -0.118 1.00 0.00 C ATOM 0 H ALA A 119 127.029 18.888 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 119 129.630 19.429 0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 119 129.011 21.774 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 119 129.115 21.003 -1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 119 127.525 21.325 -0.322 1.00 0.00 H new ATOM 1854 N ILE A 120 128.573 19.261 2.865 1.00 0.00 N ATOM 1855 CA ILE A 120 128.033 19.156 4.188 1.00 0.00 C ATOM 1856 C ILE A 120 128.950 19.904 5.113 1.00 0.00 C ATOM 1857 O ILE A 120 128.534 20.789 5.866 1.00 0.00 O ATOM 1858 CB ILE A 120 127.999 17.674 4.629 1.00 0.00 C ATOM 1859 CG1 ILE A 120 127.312 16.830 3.556 1.00 0.00 C ATOM 1860 CG2 ILE A 120 127.267 17.541 5.964 1.00 0.00 C ATOM 1861 CD1 ILE A 120 127.501 15.351 3.717 1.00 0.00 C ATOM 0 H ILE A 120 129.545 18.961 2.788 1.00 0.00 H new ATOM 0 HA ILE A 120 127.021 19.561 4.211 1.00 0.00 H new ATOM 0 HB ILE A 120 129.020 17.315 4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 120 126.245 17.051 3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 120 127.691 17.128 2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 120 127.248 16.494 6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 120 127.784 18.128 6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 120 126.246 17.906 5.857 1.00 0.00 H new ATOM 0 HD11 ILE A 120 126.981 14.828 2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 120 128.564 15.113 3.676 1.00 0.00 H new ATOM 0 HD13 ILE A 120 127.095 15.035 4.678 1.00 0.00 H new ATOM 1873 N LEU A 121 130.206 19.571 5.027 1.00 0.00 N ATOM 1874 CA LEU A 121 131.194 20.181 5.861 1.00 0.00 C ATOM 1875 C LEU A 121 131.952 21.202 5.100 1.00 0.00 C ATOM 1876 O LEU A 121 131.971 21.198 3.856 1.00 0.00 O ATOM 1877 CB LEU A 121 132.155 19.140 6.388 1.00 0.00 C ATOM 1878 CG LEU A 121 131.587 18.155 7.386 1.00 0.00 C ATOM 1879 CD1 LEU A 121 132.634 17.125 7.753 1.00 0.00 C ATOM 1880 CD2 LEU A 121 131.095 18.871 8.633 1.00 0.00 C ATOM 0 H LEU A 121 130.570 18.872 4.379 1.00 0.00 H new ATOM 0 HA LEU A 121 130.684 20.658 6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 121 132.553 18.580 5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 121 132.996 19.654 6.854 1.00 0.00 H new ATOM 0 HG LEU A 121 130.738 17.650 6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 121 132.215 16.421 8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 121 132.945 16.587 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 121 133.496 17.624 8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.691 18.142 9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.925 19.403 9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.316 19.583 8.360 1.00 0.00 H new ATOM 1892 N ASP A 122 132.566 22.071 5.832 1.00 0.00 N ATOM 1893 CA ASP A 122 133.415 23.077 5.264 1.00 0.00 C ATOM 1894 C ASP A 122 134.757 22.474 5.004 1.00 0.00 C ATOM 1895 O ASP A 122 135.633 22.428 5.875 1.00 0.00 O ATOM 1896 CB ASP A 122 133.530 24.312 6.147 1.00 0.00 C ATOM 1897 CG ASP A 122 134.544 25.312 5.616 1.00 0.00 C ATOM 1898 OD1 ASP A 122 134.357 25.848 4.492 1.00 0.00 O ATOM 1899 OD2 ASP A 122 135.526 25.604 6.322 1.00 0.00 O ATOM 0 H ASP A 122 132.495 22.107 6.849 1.00 0.00 H new ATOM 0 HA ASP A 122 132.970 23.420 4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 122 132.555 24.793 6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 122 133.815 24.010 7.155 1.00 0.00 H new ATOM 1904 N LYS A 123 134.880 21.949 3.838 1.00 0.00 N ATOM 1905 CA LYS A 123 136.045 21.295 3.408 1.00 0.00 C ATOM 1906 C LYS A 123 137.113 22.289 3.111 1.00 0.00 C ATOM 1907 O LYS A 123 136.874 23.336 2.501 1.00 0.00 O ATOM 1908 CB LYS A 123 135.757 20.416 2.202 1.00 0.00 C ATOM 1909 CG LYS A 123 134.761 19.296 2.471 1.00 0.00 C ATOM 1910 CD LYS A 123 135.239 18.402 3.598 1.00 0.00 C ATOM 1911 CE LYS A 123 134.384 17.154 3.757 1.00 0.00 C ATOM 1912 NZ LYS A 123 134.965 16.234 4.750 1.00 0.00 N ATOM 0 H LYS A 123 134.139 21.968 3.137 1.00 0.00 H new ATOM 0 HA LYS A 123 136.398 20.647 4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 123 135.376 21.040 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 123 136.693 19.979 1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 123 133.790 19.721 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 123 134.621 18.704 1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 123 136.272 18.109 3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 123 135.231 18.965 4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 123 133.377 17.436 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 123 134.294 16.647 2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 134.361 15.392 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 135.916 15.947 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 135.028 16.712 5.671 1.00 0.00 H new ATOM 1926 N GLU A 124 138.238 21.982 3.594 1.00 0.00 N ATOM 1927 CA GLU A 124 139.414 22.775 3.458 1.00 0.00 C ATOM 1928 C GLU A 124 140.224 22.336 2.233 1.00 0.00 C ATOM 1929 O GLU A 124 140.792 21.231 2.204 1.00 0.00 O ATOM 1930 CB GLU A 124 140.264 22.737 4.761 1.00 0.00 C ATOM 1931 CG GLU A 124 140.633 21.336 5.314 1.00 0.00 C ATOM 1932 CD GLU A 124 139.460 20.551 5.882 1.00 0.00 C ATOM 1933 OE1 GLU A 124 138.767 19.843 5.120 1.00 0.00 O ATOM 1934 OE2 GLU A 124 139.212 20.628 7.091 1.00 0.00 O ATOM 0 H GLU A 124 138.391 21.127 4.128 1.00 0.00 H new ATOM 0 HA GLU A 124 139.116 23.811 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 124 141.189 23.285 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 124 139.721 23.276 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 124 141.090 20.753 4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 124 141.386 21.454 6.093 1.00 0.00 H new ATOM 1941 N PRO A 125 140.222 23.148 1.170 1.00 0.00 N ATOM 1942 CA PRO A 125 140.973 22.872 -0.023 1.00 0.00 C ATOM 1943 C PRO A 125 142.343 23.584 -0.013 1.00 0.00 C ATOM 1944 O PRO A 125 142.675 24.240 0.992 1.00 0.00 O ATOM 1945 CB PRO A 125 140.075 23.451 -1.108 1.00 0.00 C ATOM 1946 CG PRO A 125 139.430 24.642 -0.465 1.00 0.00 C ATOM 1947 CD PRO A 125 139.445 24.395 1.028 1.00 0.00 C ATOM 1948 OXT PRO A 125 143.074 23.481 -1.008 1.00 0.00 O ATOM 0 HA PRO A 125 141.203 21.814 -0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 125 140.650 23.738 -1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 125 139.331 22.725 -1.436 1.00 0.00 H new ATOM 0 HG2 PRO A 125 139.972 25.555 -0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 125 138.409 24.770 -0.825 1.00 0.00 H new ATOM 0 HD2 PRO A 125 139.911 25.221 1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 125 138.436 24.285 1.426 1.00 0.00 H new TER 1956 PRO A 125 ATOM 1957 N ARG B 151 129.398 11.566 7.696 1.00 0.00 N ATOM 1958 CA ARG B 151 128.215 12.438 7.623 1.00 0.00 C ATOM 1959 C ARG B 151 127.028 11.657 7.089 1.00 0.00 C ATOM 1960 O ARG B 151 127.195 10.677 6.354 1.00 0.00 O ATOM 1961 CB ARG B 151 128.474 13.667 6.744 1.00 0.00 C ATOM 1962 CG ARG B 151 129.619 14.564 7.210 1.00 0.00 C ATOM 1963 CD ARG B 151 129.445 15.038 8.653 1.00 0.00 C ATOM 1964 NE ARG B 151 128.212 15.812 8.866 1.00 0.00 N ATOM 1965 CZ ARG B 151 128.048 16.750 9.812 1.00 0.00 C ATOM 1966 NH1 ARG B 151 129.036 17.029 10.660 1.00 0.00 N ATOM 1967 NH2 ARG B 151 126.882 17.382 9.928 1.00 0.00 N ATOM 0 HA ARG B 151 127.995 12.790 8.631 1.00 0.00 H new ATOM 0 HB2 ARG B 151 128.686 13.331 5.729 1.00 0.00 H new ATOM 0 HB3 ARG B 151 127.562 14.262 6.699 1.00 0.00 H new ATOM 0 HG2 ARG B 151 130.560 14.021 7.121 1.00 0.00 H new ATOM 0 HG3 ARG B 151 129.687 15.431 6.553 1.00 0.00 H new ATOM 0 HD2 ARG B 151 129.441 14.172 9.315 1.00 0.00 H new ATOM 0 HD3 ARG B 151 130.303 15.649 8.933 1.00 0.00 H new ATOM 0 HE ARG B 151 127.423 15.622 8.249 1.00 0.00 H new ATOM 0 HH11 ARG B 151 129.922 16.529 10.592 1.00 0.00 H new ATOM 0 HH12 ARG B 151 128.906 17.743 11.377 1.00 0.00 H new ATOM 0 HH21 ARG B 151 126.113 17.153 9.298 1.00 0.00 H new ATOM 0 HH22 ARG B 151 126.758 18.095 10.647 1.00 0.00 H new ATOM 1983 N SER B 152 125.843 12.120 7.424 1.00 0.00 N ATOM 1984 CA SER B 152 124.582 11.453 7.133 1.00 0.00 C ATOM 1985 C SER B 152 124.089 11.642 5.667 1.00 0.00 C ATOM 1986 O SER B 152 122.900 11.863 5.423 1.00 0.00 O ATOM 1987 CB SER B 152 123.552 11.993 8.111 1.00 0.00 C ATOM 1988 OG SER B 152 124.014 11.858 9.454 1.00 0.00 O ATOM 0 H SER B 152 125.722 13.001 7.924 1.00 0.00 H new ATOM 0 HA SER B 152 124.729 10.379 7.245 1.00 0.00 H new ATOM 0 HB2 SER B 152 123.352 13.042 7.894 1.00 0.00 H new ATOM 0 HB3 SER B 152 122.611 11.457 7.989 1.00 0.00 H new ATOM 0 HG SER B 152 123.339 12.212 10.069 1.00 0.00 H new ATOM 1994 N SER B 153 124.994 11.572 4.724 1.00 0.00 N ATOM 1995 CA SER B 153 124.685 11.644 3.303 1.00 0.00 C ATOM 1996 C SER B 153 125.841 11.019 2.569 1.00 0.00 C ATOM 1997 O SER B 153 126.939 10.914 3.163 1.00 0.00 O ATOM 1998 CB SER B 153 124.496 13.105 2.840 1.00 0.00 C ATOM 1999 OG SER B 153 123.419 13.741 3.533 1.00 0.00 O ATOM 0 H SER B 153 125.989 11.461 4.918 1.00 0.00 H new ATOM 0 HA SER B 153 123.751 11.120 3.098 1.00 0.00 H new ATOM 0 HB2 SER B 153 125.417 13.663 3.008 1.00 0.00 H new ATOM 0 HB3 SER B 153 124.302 13.125 1.768 1.00 0.00 H new ATOM 0 HG SER B 153 123.021 13.110 4.169 1.00 0.00 H new ATOM 2005 N ARG B 154 125.613 10.594 1.320 1.00 0.00 N ATOM 2006 CA ARG B 154 126.648 9.969 0.476 1.00 0.00 C ATOM 2007 C ARG B 154 127.058 8.553 0.980 1.00 0.00 C ATOM 2008 O ARG B 154 127.144 8.334 2.188 1.00 0.00 O ATOM 2009 CB ARG B 154 127.853 10.950 0.297 1.00 0.00 C ATOM 2010 CG ARG B 154 129.157 10.345 -0.193 1.00 0.00 C ATOM 2011 CD ARG B 154 130.202 10.324 0.927 1.00 0.00 C ATOM 2012 NE ARG B 154 129.723 9.622 2.127 1.00 0.00 N ATOM 2013 CZ ARG B 154 130.488 9.130 3.100 1.00 0.00 C ATOM 2014 NH1 ARG B 154 131.816 9.276 3.067 1.00 0.00 N ATOM 2015 NH2 ARG B 154 129.914 8.481 4.108 1.00 0.00 N ATOM 0 H ARG B 154 124.705 10.672 0.862 1.00 0.00 H new ATOM 0 HA ARG B 154 126.228 9.789 -0.514 1.00 0.00 H new ATOM 0 HB2 ARG B 154 127.555 11.730 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG B 154 128.042 11.436 1.254 1.00 0.00 H new ATOM 0 HG2 ARG B 154 128.981 9.331 -0.551 1.00 0.00 H new ATOM 0 HG3 ARG B 154 129.535 10.920 -1.038 1.00 0.00 H new ATOM 0 HD2 ARG B 154 131.109 9.841 0.565 1.00 0.00 H new ATOM 0 HD3 ARG B 154 130.469 11.347 1.190 1.00 0.00 H new ATOM 0 HE ARG B 154 128.715 9.501 2.223 1.00 0.00 H new ATOM 0 HH11 ARG B 154 132.256 9.769 2.290 1.00 0.00 H new ATOM 0 HH12 ARG B 154 132.390 8.894 3.819 1.00 0.00 H new ATOM 0 HH21 ARG B 154 128.901 8.365 4.129 1.00 0.00 H new ATOM 0 HH22 ARG B 154 130.487 8.099 4.860 1.00 0.00 H new ATOM 2029 N THR B 155 127.361 7.642 0.015 1.00 0.00 N ATOM 2030 CA THR B 155 127.725 6.218 0.233 1.00 0.00 C ATOM 2031 C THR B 155 126.675 5.228 -0.266 1.00 0.00 C ATOM 2032 O THR B 155 127.042 4.285 -0.967 1.00 0.00 O ATOM 2033 CB THR B 155 128.233 5.870 1.678 1.00 0.00 C ATOM 2034 OG1 THR B 155 129.550 6.394 1.870 1.00 0.00 O ATOM 2035 CG2 THR B 155 128.211 4.372 1.979 1.00 0.00 C ATOM 0 H THR B 155 127.358 7.891 -0.974 1.00 0.00 H new ATOM 0 HA THR B 155 128.598 6.091 -0.407 1.00 0.00 H new ATOM 0 HB THR B 155 127.540 6.337 2.378 1.00 0.00 H new ATOM 0 HG1 THR B 155 129.861 6.175 2.773 1.00 0.00 H new ATOM 0 HG21 THR B 155 128.574 4.199 2.992 1.00 0.00 H new ATOM 0 HG22 THR B 155 127.191 3.998 1.890 1.00 0.00 H new ATOM 0 HG23 THR B 155 128.853 3.849 1.270 1.00 0.00 H new ATOM 2043 N ARG B 156 125.388 5.480 0.029 1.00 0.00 N ATOM 2044 CA ARG B 156 124.275 4.535 -0.283 1.00 0.00 C ATOM 2045 C ARG B 156 124.471 3.360 0.646 1.00 0.00 C ATOM 2046 O ARG B 156 125.166 2.387 0.331 1.00 0.00 O ATOM 2047 CB ARG B 156 124.228 4.056 -1.773 1.00 0.00 C ATOM 2048 CG ARG B 156 124.324 5.143 -2.873 1.00 0.00 C ATOM 2049 CD ARG B 156 123.266 6.235 -2.777 1.00 0.00 C ATOM 2050 NE ARG B 156 123.485 7.130 -1.640 1.00 0.00 N ATOM 2051 CZ ARG B 156 123.236 8.441 -1.613 1.00 0.00 C ATOM 2052 NH1 ARG B 156 122.596 9.044 -2.608 1.00 0.00 N ATOM 2053 NH2 ARG B 156 123.553 9.106 -0.549 1.00 0.00 N ATOM 0 H ARG B 156 125.080 6.337 0.488 1.00 0.00 H new ATOM 0 HA ARG B 156 123.322 5.043 -0.139 1.00 0.00 H new ATOM 0 HB2 ARG B 156 125.043 3.349 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG B 156 123.298 3.507 -1.922 1.00 0.00 H new ATOM 0 HG2 ARG B 156 125.310 5.605 -2.824 1.00 0.00 H new ATOM 0 HG3 ARG B 156 124.245 4.663 -3.848 1.00 0.00 H new ATOM 0 HD2 ARG B 156 123.265 6.817 -3.698 1.00 0.00 H new ATOM 0 HD3 ARG B 156 122.281 5.776 -2.689 1.00 0.00 H new ATOM 0 HE ARG B 156 123.863 6.713 -0.789 1.00 0.00 H new ATOM 0 HH11 ARG B 156 122.283 8.504 -3.415 1.00 0.00 H new ATOM 0 HH12 ARG B 156 122.417 10.047 -2.565 1.00 0.00 H new ATOM 0 HH21 ARG B 156 123.982 8.627 0.243 1.00 0.00 H new ATOM 0 HH22 ARG B 156 123.374 10.109 -0.502 1.00 0.00 H new ATOM 2067 N ARG B 157 123.865 3.450 1.781 1.00 0.00 N ATOM 2068 CA ARG B 157 124.216 2.603 2.867 1.00 0.00 C ATOM 2069 C ARG B 157 123.413 1.339 2.957 1.00 0.00 C ATOM 2070 O ARG B 157 122.271 1.250 2.496 1.00 0.00 O ATOM 2071 CB ARG B 157 124.191 3.403 4.143 1.00 0.00 C ATOM 2072 CG ARG B 157 125.344 4.388 4.229 1.00 0.00 C ATOM 2073 CD ARG B 157 125.157 5.378 5.342 1.00 0.00 C ATOM 2074 NE ARG B 157 126.384 6.110 5.634 1.00 0.00 N ATOM 2075 CZ ARG B 157 126.533 7.429 5.597 1.00 0.00 C ATOM 2076 NH1 ARG B 157 125.663 8.195 4.958 1.00 0.00 N ATOM 2077 NH2 ARG B 157 127.615 7.971 6.124 1.00 0.00 N ATOM 0 H ARG B 157 123.114 4.111 1.981 1.00 0.00 H new ATOM 0 HA ARG B 157 125.229 2.242 2.686 1.00 0.00 H new ATOM 0 HB2 ARG B 157 123.248 3.945 4.211 1.00 0.00 H new ATOM 0 HB3 ARG B 157 124.231 2.725 4.995 1.00 0.00 H new ATOM 0 HG2 ARG B 157 126.276 3.843 4.381 1.00 0.00 H new ATOM 0 HG3 ARG B 157 125.437 4.920 3.282 1.00 0.00 H new ATOM 0 HD2 ARG B 157 124.370 6.082 5.072 1.00 0.00 H new ATOM 0 HD3 ARG B 157 124.824 4.856 6.239 1.00 0.00 H new ATOM 0 HE ARG B 157 127.203 5.558 5.890 1.00 0.00 H new ATOM 0 HH11 ARG B 157 124.864 7.774 4.485 1.00 0.00 H new ATOM 0 HH12 ARG B 157 125.792 9.207 4.939 1.00 0.00 H new ATOM 0 HH21 ARG B 157 128.325 7.378 6.553 1.00 0.00 H new ATOM 0 HH22 ARG B 157 127.741 8.983 6.102 1.00 0.00 H new ATOM 2091 N GLU B 158 124.049 0.368 3.517 1.00 0.00 N ATOM 2092 CA GLU B 158 123.513 -0.926 3.701 1.00 0.00 C ATOM 2093 C GLU B 158 122.866 -1.066 5.064 1.00 0.00 C ATOM 2094 O GLU B 158 123.544 -1.151 6.098 1.00 0.00 O ATOM 2095 CB GLU B 158 124.573 -2.038 3.445 1.00 0.00 C ATOM 2096 CG GLU B 158 125.895 -1.918 4.229 1.00 0.00 C ATOM 2097 CD GLU B 158 126.769 -0.764 3.777 1.00 0.00 C ATOM 2098 OE1 GLU B 158 126.627 0.366 4.302 1.00 0.00 O ATOM 2099 OE2 GLU B 158 127.608 -0.959 2.886 1.00 0.00 O ATOM 0 H GLU B 158 125.000 0.465 3.873 1.00 0.00 H new ATOM 0 HA GLU B 158 122.731 -1.061 2.954 1.00 0.00 H new ATOM 0 HB2 GLU B 158 124.122 -3.001 3.682 1.00 0.00 H new ATOM 0 HB3 GLU B 158 124.807 -2.049 2.380 1.00 0.00 H new ATOM 0 HG2 GLU B 158 125.669 -1.798 5.289 1.00 0.00 H new ATOM 0 HG3 GLU B 158 126.454 -2.848 4.126 1.00 0.00 H new ATOM 2106 N THR B 159 121.567 -1.050 5.074 1.00 0.00 N ATOM 2107 CA THR B 159 120.840 -1.234 6.293 1.00 0.00 C ATOM 2108 C THR B 159 120.483 -2.703 6.404 1.00 0.00 C ATOM 2109 O THR B 159 119.607 -3.196 5.708 1.00 0.00 O ATOM 2110 CB THR B 159 119.557 -0.359 6.350 1.00 0.00 C ATOM 2111 OG1 THR B 159 119.899 1.004 6.005 1.00 0.00 O ATOM 2112 CG2 THR B 159 118.951 -0.380 7.772 1.00 0.00 C ATOM 0 H THR B 159 120.987 -0.911 4.247 1.00 0.00 H new ATOM 0 HA THR B 159 121.464 -0.921 7.130 1.00 0.00 H new ATOM 0 HB THR B 159 118.826 -0.758 5.647 1.00 0.00 H new ATOM 0 HG1 THR B 159 120.735 1.254 6.451 1.00 0.00 H new ATOM 0 HG21 THR B 159 118.053 0.238 7.794 1.00 0.00 H new ATOM 0 HG22 THR B 159 118.694 -1.404 8.043 1.00 0.00 H new ATOM 0 HG23 THR B 159 119.678 0.011 8.483 1.00 0.00 H new ATOM 2120 N GLN B 160 121.221 -3.398 7.200 1.00 0.00 N ATOM 2121 CA GLN B 160 120.995 -4.799 7.422 1.00 0.00 C ATOM 2122 C GLN B 160 119.929 -4.923 8.481 1.00 0.00 C ATOM 2123 O GLN B 160 120.075 -4.345 9.565 1.00 0.00 O ATOM 2124 CB GLN B 160 122.286 -5.443 7.902 1.00 0.00 C ATOM 2125 CG GLN B 160 123.465 -5.249 6.955 1.00 0.00 C ATOM 2126 CD GLN B 160 124.811 -5.538 7.604 1.00 0.00 C ATOM 2127 OE1 GLN B 160 124.927 -5.261 8.878 1.00 0.00 O flip ATOM 2128 NE2 GLN B 160 125.757 -5.983 6.950 1.00 0.00 N flip ATOM 0 H GLN B 160 122.007 -3.013 7.723 1.00 0.00 H new ATOM 0 HA GLN B 160 120.677 -5.297 6.506 1.00 0.00 H new ATOM 0 HB2 GLN B 160 122.545 -5.031 8.877 1.00 0.00 H new ATOM 0 HB3 GLN B 160 122.117 -6.511 8.042 1.00 0.00 H new ATOM 0 HG2 GLN B 160 123.339 -5.901 6.090 1.00 0.00 H new ATOM 0 HG3 GLN B 160 123.460 -4.224 6.585 1.00 0.00 H new ATOM 0 HE21 GLN B 160 125.639 -6.190 5.958 1.00 0.00 H new ATOM 0 HE22 GLN B 160 126.658 -6.144 7.401 1.00 0.00 H new ATOM 2137 N VAL B 161 118.847 -5.597 8.169 1.00 0.00 N ATOM 2138 CA VAL B 161 117.762 -5.764 9.105 1.00 0.00 C ATOM 2139 C VAL B 161 117.305 -7.191 9.111 1.00 0.00 C ATOM 2140 O VAL B 161 116.675 -7.631 10.090 1.00 0.00 O ATOM 2141 CB VAL B 161 116.543 -4.828 8.839 1.00 0.00 C ATOM 2142 CG1 VAL B 161 116.912 -3.395 8.996 1.00 0.00 C ATOM 2143 CG2 VAL B 161 115.964 -5.026 7.464 1.00 0.00 C ATOM 2144 OXT VAL B 161 117.579 -7.898 8.136 1.00 0.00 O ATOM 0 H VAL B 161 118.695 -6.043 7.264 1.00 0.00 H new ATOM 0 HA VAL B 161 118.162 -5.481 10.079 1.00 0.00 H new ATOM 0 HB VAL B 161 115.792 -5.097 9.582 1.00 0.00 H new ATOM 0 HG11 VAL B 161 116.039 -2.771 8.803 1.00 0.00 H new ATOM 0 HG12 VAL B 161 117.266 -3.220 10.012 1.00 0.00 H new ATOM 0 HG13 VAL B 161 117.701 -3.143 8.288 1.00 0.00 H new ATOM 0 HG21 VAL B 161 115.118 -4.353 7.325 1.00 0.00 H new ATOM 0 HG22 VAL B 161 116.725 -4.811 6.714 1.00 0.00 H new ATOM 0 HG23 VAL B 161 115.629 -6.057 7.355 1.00 0.00 H new TER 2154 VAL B 161