USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 870 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 83 ASN : amide:sc= 1.99 K(o=3.1,f=-3) USER MOD Set 1.2: A 87 LYS NZ :NH3+ -175:sc= 1.07 (180deg=-0.158) USER MOD Set 2.1: A 67 HIS : no HD1:sc= -0.224 K(o=4.4,f=3.4) USER MOD Set 2.2: A 71 CYS SG : rot 100:sc= 0.548 USER MOD Set 2.3: A 76 CYS SG : rot 135:sc= 0.631 USER MOD Set 2.4: A 81 CYS SG : rot -164:sc= 1.31 USER MOD Set 2.5: A 85 LYS NZ :NH3+ -178:sc= 2.1 (180deg=0.829) USER MOD Set 3.1: A 42 HIS : no HE2:sc= -0.375 K(o=3.9,f=3.2) USER MOD Set 3.2: A 43 THR OG1 : rot -55:sc= 1.33 USER MOD Set 3.3: A 46 CYS SG : rot 40:sc= 1.02 USER MOD Set 3.4: A 49 LYS NZ :NH3+ -155:sc= -0.685! (180deg=-2.34!) USER MOD Set 3.5: A 54 CYS SG : rot -154:sc= 0.968 USER MOD Set 3.6: A 57 CYS SG : rot 127:sc= 1.65 USER MOD Set 4.1: A 19 HIS : no HD1:sc= -0.949 K(o=8.2,f=7.3) USER MOD Set 4.2: A 23 CYS SG : rot 40:sc= 1.39 USER MOD Set 4.3: A 25 ASN : amide:sc= 1.36 K(o=8.2,f=4.9) USER MOD Set 4.4: A 28 CYS SG : rot 130:sc= 2.55 USER MOD Set 4.5: A 33 CYS SG : rot -166:sc= 0.785 USER MOD Set 4.6: A 37 LYS NZ :NH3+ 165:sc= 3.11 (180deg=1.18) USER MOD Single : A 5 SER OG : rot -144:sc= 0.684 USER MOD Single : A 9 SER OG : rot 77:sc= 1.21 USER MOD Single : A 11 GLN : amide:sc= -0.0878 X(o=-0.088,f=-0.26) USER MOD Single : A 13 CYS SG : rot 180:sc= 0.00234 USER MOD Single : A 15 GLN : amide:sc= -0.0722 X(o=-0.072,f=-0.072) USER MOD Single : A 16 SER OG : rot 76:sc= 0.514 USER MOD Single : A 21 CYS SG : rot 77:sc= 0.198 USER MOD Single : A 22 GLN : amide:sc= 0.924 K(o=0.92,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0803 X(o=-0.08,f=-0.08) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 1.16 K(o=1.2,f=-0.28) USER MOD Single : A 35 LYS NZ :NH3+ 142:sc= 0.172 (180deg=0) USER MOD Single : A 36 MET CE :methyl 174:sc= -0.243 (180deg=-0.283) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= 0.756 (180deg=0.646) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.989 K(o=0.99,f=-1) USER MOD Single : A 64 CYS SG : rot 81:sc= 0.0203 USER MOD Single : A 65 CYS SG : rot 149:sc= -0.365 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00972) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0.888 K(o=0.89,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 722 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.035) USER MOD Single : B 726 MET CE :methyl 174:sc= -0.0104 (180deg=-0.105) USER MOD Single : B 727 SER OG : rot 180:sc= 0 USER MOD Single : B 735 SER OG : rot 72:sc= 0.844 USER MOD Single : B 740 SER OG : rot 180:sc= 0 USER MOD Single : B 745 SER OG : rot 180:sc= 0 USER MOD Single : B 746 MET CE :methyl -114:sc= -3.92 (180deg=-9.31!) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 51.178 -13.055 27.672 1.00 0.00 N ATOM 44 CA GLU A 4 50.678 -14.436 27.670 1.00 0.00 C ATOM 45 C GLU A 4 49.149 -14.497 27.575 1.00 0.00 C ATOM 46 O GLU A 4 48.623 -15.362 26.883 1.00 0.00 O ATOM 47 CB GLU A 4 51.170 -15.160 28.932 1.00 0.00 C ATOM 48 CG GLU A 4 52.618 -15.666 28.850 1.00 0.00 C ATOM 49 CD GLU A 4 53.626 -14.618 28.348 1.00 0.00 C ATOM 50 OE1 GLU A 4 53.716 -13.521 28.947 1.00 0.00 O ATOM 51 OE2 GLU A 4 54.303 -14.885 27.326 1.00 0.00 O ATOM 0 HA GLU A 4 51.070 -14.936 26.784 1.00 0.00 H new ATOM 0 HB2 GLU A 4 51.082 -14.483 29.782 1.00 0.00 H new ATOM 0 HB3 GLU A 4 50.513 -16.007 29.130 1.00 0.00 H new ATOM 0 HG2 GLU A 4 52.928 -16.008 29.838 1.00 0.00 H new ATOM 0 HG3 GLU A 4 52.651 -16.532 28.188 1.00 0.00 H new ATOM 58 N SER A 5 48.429 -13.551 28.190 1.00 0.00 N ATOM 59 CA SER A 5 46.964 -13.445 28.089 1.00 0.00 C ATOM 60 C SER A 5 46.492 -13.446 26.627 1.00 0.00 C ATOM 61 O SER A 5 45.554 -14.163 26.272 1.00 0.00 O ATOM 62 CB SER A 5 46.516 -12.170 28.820 1.00 0.00 C ATOM 63 OG SER A 5 45.146 -11.875 28.597 1.00 0.00 O ATOM 0 H SER A 5 48.848 -12.830 28.777 1.00 0.00 H new ATOM 0 HA SER A 5 46.508 -14.317 28.558 1.00 0.00 H new ATOM 0 HB2 SER A 5 46.691 -12.287 29.890 1.00 0.00 H new ATOM 0 HB3 SER A 5 47.125 -11.330 28.487 1.00 0.00 H new ATOM 0 HG SER A 5 45.025 -10.904 28.545 1.00 0.00 H new ATOM 69 N ARG A 6 47.186 -12.706 25.747 1.00 0.00 N ATOM 70 CA ARG A 6 46.902 -12.659 24.303 1.00 0.00 C ATOM 71 C ARG A 6 47.285 -13.963 23.613 1.00 0.00 C ATOM 72 O ARG A 6 46.467 -14.526 22.892 1.00 0.00 O ATOM 73 CB ARG A 6 47.631 -11.466 23.656 1.00 0.00 C ATOM 74 CG ARG A 6 47.246 -10.077 24.194 1.00 0.00 C ATOM 75 CD ARG A 6 45.748 -9.781 24.065 1.00 0.00 C ATOM 76 NE ARG A 6 44.976 -10.332 25.209 1.00 0.00 N ATOM 77 CZ ARG A 6 43.886 -11.080 25.168 1.00 0.00 C ATOM 78 NH1 ARG A 6 43.215 -11.264 24.070 1.00 0.00 N ATOM 79 NH2 ARG A 6 43.462 -11.694 26.231 1.00 0.00 N ATOM 0 H ARG A 6 47.971 -12.115 26.022 1.00 0.00 H new ATOM 0 HA ARG A 6 45.827 -12.527 24.176 1.00 0.00 H new ATOM 0 HB2 ARG A 6 48.704 -11.603 23.791 1.00 0.00 H new ATOM 0 HB3 ARG A 6 47.440 -11.486 22.583 1.00 0.00 H new ATOM 0 HG2 ARG A 6 47.536 -10.006 25.242 1.00 0.00 H new ATOM 0 HG3 ARG A 6 47.809 -9.315 23.655 1.00 0.00 H new ATOM 0 HD2 ARG A 6 45.594 -8.703 24.008 1.00 0.00 H new ATOM 0 HD3 ARG A 6 45.372 -10.206 23.134 1.00 0.00 H new ATOM 0 HE ARG A 6 45.330 -10.106 26.139 1.00 0.00 H new ATOM 0 HH11 ARG A 6 43.525 -10.825 23.203 1.00 0.00 H new ATOM 0 HH12 ARG A 6 42.378 -11.848 24.075 1.00 0.00 H new ATOM 0 HH21 ARG A 6 43.971 -11.602 27.110 1.00 0.00 H new ATOM 0 HH22 ARG A 6 42.620 -12.268 26.187 1.00 0.00 H new ATOM 93 N ARG A 7 48.495 -14.467 23.868 1.00 0.00 N ATOM 94 CA ARG A 7 49.034 -15.722 23.297 1.00 0.00 C ATOM 95 C ARG A 7 48.098 -16.904 23.534 1.00 0.00 C ATOM 96 O ARG A 7 47.726 -17.620 22.606 1.00 0.00 O ATOM 97 CB ARG A 7 50.424 -15.994 23.888 1.00 0.00 C ATOM 98 CG ARG A 7 51.377 -14.862 23.498 1.00 0.00 C ATOM 99 CD ARG A 7 52.750 -14.979 24.145 1.00 0.00 C ATOM 100 NE ARG A 7 53.582 -13.932 23.537 1.00 0.00 N ATOM 101 CZ ARG A 7 54.547 -13.184 24.021 1.00 0.00 C ATOM 102 NH1 ARG A 7 55.099 -13.353 25.185 1.00 0.00 N ATOM 103 NH2 ARG A 7 54.947 -12.198 23.275 1.00 0.00 N ATOM 0 H ARG A 7 49.153 -14.005 24.496 1.00 0.00 H new ATOM 0 HA ARG A 7 49.118 -15.601 22.217 1.00 0.00 H new ATOM 0 HB2 ARG A 7 50.360 -16.072 24.973 1.00 0.00 H new ATOM 0 HB3 ARG A 7 50.806 -16.947 23.522 1.00 0.00 H new ATOM 0 HG2 ARG A 7 51.494 -14.852 22.414 1.00 0.00 H new ATOM 0 HG3 ARG A 7 50.931 -13.908 23.779 1.00 0.00 H new ATOM 0 HD2 ARG A 7 52.684 -14.845 25.225 1.00 0.00 H new ATOM 0 HD3 ARG A 7 53.179 -15.966 23.972 1.00 0.00 H new ATOM 0 HE ARG A 7 53.371 -13.752 22.555 1.00 0.00 H new ATOM 0 HH11 ARG A 7 54.786 -14.110 25.793 1.00 0.00 H new ATOM 0 HH12 ARG A 7 55.845 -12.729 25.491 1.00 0.00 H new ATOM 0 HH21 ARG A 7 54.514 -12.039 22.365 1.00 0.00 H new ATOM 0 HH22 ARG A 7 55.694 -11.583 23.599 1.00 0.00 H new ATOM 117 N LEU A 8 47.690 -17.068 24.787 1.00 0.00 N ATOM 118 CA LEU A 8 46.777 -18.111 25.249 1.00 0.00 C ATOM 119 C LEU A 8 45.350 -17.919 24.698 1.00 0.00 C ATOM 120 O LEU A 8 44.682 -18.909 24.403 1.00 0.00 O ATOM 121 CB LEU A 8 46.836 -18.144 26.788 1.00 0.00 C ATOM 122 CG LEU A 8 48.239 -18.478 27.349 1.00 0.00 C ATOM 123 CD1 LEU A 8 48.261 -18.305 28.865 1.00 0.00 C ATOM 124 CD2 LEU A 8 48.709 -19.891 27.001 1.00 0.00 C ATOM 0 H LEU A 8 47.998 -16.454 25.541 1.00 0.00 H new ATOM 0 HA LEU A 8 47.089 -19.081 24.862 1.00 0.00 H new ATOM 0 HB2 LEU A 8 46.520 -17.175 27.176 1.00 0.00 H new ATOM 0 HB3 LEU A 8 46.123 -18.882 27.155 1.00 0.00 H new ATOM 0 HG LEU A 8 48.927 -17.778 26.875 1.00 0.00 H new ATOM 0 HD11 LEU A 8 49.255 -18.544 29.244 1.00 0.00 H new ATOM 0 HD12 LEU A 8 48.015 -17.274 29.117 1.00 0.00 H new ATOM 0 HD13 LEU A 8 47.529 -18.974 29.318 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.699 -20.060 27.424 1.00 0.00 H new ATOM 0 HD22 LEU A 8 48.010 -20.619 27.412 1.00 0.00 H new ATOM 0 HD23 LEU A 8 48.754 -20.003 25.918 1.00 0.00 H new ATOM 136 N SER A 9 44.896 -16.675 24.488 1.00 0.00 N ATOM 137 CA SER A 9 43.590 -16.397 23.859 1.00 0.00 C ATOM 138 C SER A 9 43.603 -16.761 22.367 1.00 0.00 C ATOM 139 O SER A 9 42.661 -17.388 21.882 1.00 0.00 O ATOM 140 CB SER A 9 43.184 -14.927 24.008 1.00 0.00 C ATOM 141 OG SER A 9 43.003 -14.577 25.369 1.00 0.00 O ATOM 0 H SER A 9 45.417 -15.837 24.746 1.00 0.00 H new ATOM 0 HA SER A 9 42.860 -17.017 24.379 1.00 0.00 H new ATOM 0 HB2 SER A 9 43.950 -14.290 23.565 1.00 0.00 H new ATOM 0 HB3 SER A 9 42.261 -14.745 23.458 1.00 0.00 H new ATOM 0 HG SER A 9 43.877 -14.456 25.795 1.00 0.00 H new ATOM 147 N ILE A 10 44.681 -16.430 21.641 1.00 0.00 N ATOM 148 CA ILE A 10 44.862 -16.757 20.214 1.00 0.00 C ATOM 149 C ILE A 10 44.772 -18.278 19.988 1.00 0.00 C ATOM 150 O ILE A 10 44.141 -18.717 19.026 1.00 0.00 O ATOM 151 CB ILE A 10 46.186 -16.147 19.686 1.00 0.00 C ATOM 152 CG1 ILE A 10 46.135 -14.601 19.684 1.00 0.00 C ATOM 153 CG2 ILE A 10 46.501 -16.617 18.255 1.00 0.00 C ATOM 154 CD1 ILE A 10 47.525 -13.956 19.774 1.00 0.00 C ATOM 0 H ILE A 10 45.469 -15.917 22.035 1.00 0.00 H new ATOM 0 HA ILE A 10 44.053 -16.309 19.637 1.00 0.00 H new ATOM 0 HB ILE A 10 46.968 -16.491 20.363 1.00 0.00 H new ATOM 0 HG12 ILE A 10 45.640 -14.260 18.774 1.00 0.00 H new ATOM 0 HG13 ILE A 10 45.528 -14.262 20.523 1.00 0.00 H new ATOM 0 HG21 ILE A 10 47.436 -16.167 17.922 1.00 0.00 H new ATOM 0 HG22 ILE A 10 46.595 -17.703 18.241 1.00 0.00 H new ATOM 0 HG23 ILE A 10 45.695 -16.314 17.587 1.00 0.00 H new ATOM 0 HD11 ILE A 10 47.424 -12.871 19.768 1.00 0.00 H new ATOM 0 HD12 ILE A 10 48.013 -14.270 20.697 1.00 0.00 H new ATOM 0 HD13 ILE A 10 48.127 -14.269 18.921 1.00 0.00 H new ATOM 166 N GLN A 11 45.329 -19.099 20.890 1.00 0.00 N ATOM 167 CA GLN A 11 45.216 -20.565 20.815 1.00 0.00 C ATOM 168 C GLN A 11 43.752 -21.053 20.824 1.00 0.00 C ATOM 169 O GLN A 11 43.426 -22.009 20.118 1.00 0.00 O ATOM 170 CB GLN A 11 46.009 -21.241 21.948 1.00 0.00 C ATOM 171 CG GLN A 11 47.532 -21.085 21.830 1.00 0.00 C ATOM 172 CD GLN A 11 48.125 -21.730 20.579 1.00 0.00 C ATOM 173 OE1 GLN A 11 47.627 -22.702 20.025 1.00 0.00 O ATOM 174 NE2 GLN A 11 49.222 -21.207 20.082 1.00 0.00 N ATOM 0 H GLN A 11 45.869 -18.768 21.690 1.00 0.00 H new ATOM 0 HA GLN A 11 45.647 -20.855 19.857 1.00 0.00 H new ATOM 0 HB2 GLN A 11 45.685 -20.824 22.902 1.00 0.00 H new ATOM 0 HB3 GLN A 11 45.764 -22.303 21.964 1.00 0.00 H new ATOM 0 HG2 GLN A 11 47.780 -20.024 21.832 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.002 -21.524 22.710 1.00 0.00 H new ATOM 0 HE21 GLN A 11 49.650 -20.397 20.531 1.00 0.00 H new ATOM 0 HE22 GLN A 11 49.646 -21.610 19.247 1.00 0.00 H new ATOM 183 N ARG A 12 42.842 -20.385 21.554 1.00 0.00 N ATOM 184 CA ARG A 12 41.402 -20.726 21.557 1.00 0.00 C ATOM 185 C ARG A 12 40.779 -20.453 20.184 1.00 0.00 C ATOM 186 O ARG A 12 40.004 -21.269 19.685 1.00 0.00 O ATOM 187 CB ARG A 12 40.635 -19.961 22.655 1.00 0.00 C ATOM 188 CG ARG A 12 41.249 -20.028 24.063 1.00 0.00 C ATOM 189 CD ARG A 12 41.461 -21.457 24.578 1.00 0.00 C ATOM 190 NE ARG A 12 42.069 -21.451 25.923 1.00 0.00 N ATOM 191 CZ ARG A 12 42.251 -22.494 26.714 1.00 0.00 C ATOM 192 NH1 ARG A 12 41.896 -23.700 26.369 1.00 0.00 N ATOM 193 NH2 ARG A 12 42.801 -22.344 27.885 1.00 0.00 N ATOM 0 H ARG A 12 43.079 -19.597 22.157 1.00 0.00 H new ATOM 0 HA ARG A 12 41.321 -21.791 21.776 1.00 0.00 H new ATOM 0 HB2 ARG A 12 40.561 -18.914 22.360 1.00 0.00 H new ATOM 0 HB3 ARG A 12 39.618 -20.351 22.702 1.00 0.00 H new ATOM 0 HG2 ARG A 12 42.207 -19.508 24.057 1.00 0.00 H new ATOM 0 HG3 ARG A 12 40.601 -19.494 24.758 1.00 0.00 H new ATOM 0 HD2 ARG A 12 40.506 -21.981 24.609 1.00 0.00 H new ATOM 0 HD3 ARG A 12 42.103 -22.005 23.888 1.00 0.00 H new ATOM 0 HE ARG A 12 42.381 -20.548 26.279 1.00 0.00 H new ATOM 0 HH11 ARG A 12 41.461 -23.864 25.461 1.00 0.00 H new ATOM 0 HH12 ARG A 12 42.053 -24.480 27.007 1.00 0.00 H new ATOM 0 HH21 ARG A 12 43.094 -21.418 28.196 1.00 0.00 H new ATOM 0 HH22 ARG A 12 42.939 -23.153 28.491 1.00 0.00 H new ATOM 207 N CYS A 13 41.161 -19.345 19.545 1.00 0.00 N ATOM 208 CA CYS A 13 40.720 -18.998 18.192 1.00 0.00 C ATOM 209 C CYS A 13 41.253 -20.021 17.172 1.00 0.00 C ATOM 210 O CYS A 13 40.506 -20.463 16.301 1.00 0.00 O ATOM 211 CB CYS A 13 41.161 -17.568 17.847 1.00 0.00 C ATOM 212 SG CYS A 13 40.516 -16.393 19.076 1.00 0.00 S ATOM 0 H CYS A 13 41.791 -18.657 19.956 1.00 0.00 H new ATOM 0 HA CYS A 13 39.631 -19.033 18.149 1.00 0.00 H new ATOM 0 HB2 CYS A 13 42.249 -17.513 17.818 1.00 0.00 H new ATOM 0 HB3 CYS A 13 40.802 -17.299 16.854 1.00 0.00 H new ATOM 0 HG CYS A 13 40.901 -15.190 18.770 1.00 0.00 H new ATOM 218 N ILE A 14 42.515 -20.450 17.303 1.00 0.00 N ATOM 219 CA ILE A 14 43.122 -21.489 16.454 1.00 0.00 C ATOM 220 C ILE A 14 42.338 -22.800 16.586 1.00 0.00 C ATOM 221 O ILE A 14 41.933 -23.362 15.570 1.00 0.00 O ATOM 222 CB ILE A 14 44.623 -21.650 16.789 1.00 0.00 C ATOM 223 CG1 ILE A 14 45.373 -20.401 16.285 1.00 0.00 C ATOM 224 CG2 ILE A 14 45.239 -22.913 16.157 1.00 0.00 C ATOM 225 CD1 ILE A 14 46.751 -20.182 16.901 1.00 0.00 C ATOM 0 H ILE A 14 43.153 -20.082 18.009 1.00 0.00 H new ATOM 0 HA ILE A 14 43.066 -21.187 15.408 1.00 0.00 H new ATOM 0 HB ILE A 14 44.719 -21.757 17.869 1.00 0.00 H new ATOM 0 HG12 ILE A 14 45.483 -20.474 15.203 1.00 0.00 H new ATOM 0 HG13 ILE A 14 44.759 -19.523 16.484 1.00 0.00 H new ATOM 0 HG21 ILE A 14 46.294 -22.976 16.424 1.00 0.00 H new ATOM 0 HG22 ILE A 14 44.717 -23.796 16.526 1.00 0.00 H new ATOM 0 HG23 ILE A 14 45.142 -22.861 15.073 1.00 0.00 H new ATOM 0 HD11 ILE A 14 47.197 -19.280 16.483 1.00 0.00 H new ATOM 0 HD12 ILE A 14 46.653 -20.072 17.981 1.00 0.00 H new ATOM 0 HD13 ILE A 14 47.389 -21.038 16.680 1.00 0.00 H new ATOM 237 N GLN A 15 42.058 -23.267 17.809 1.00 0.00 N ATOM 238 CA GLN A 15 41.252 -24.477 18.030 1.00 0.00 C ATOM 239 C GLN A 15 39.839 -24.343 17.436 1.00 0.00 C ATOM 240 O GLN A 15 39.335 -25.293 16.836 1.00 0.00 O ATOM 241 CB GLN A 15 41.174 -24.811 19.528 1.00 0.00 C ATOM 242 CG GLN A 15 42.502 -25.331 20.102 1.00 0.00 C ATOM 243 CD GLN A 15 42.864 -26.714 19.566 1.00 0.00 C ATOM 244 OE1 GLN A 15 43.725 -26.884 18.714 1.00 0.00 O ATOM 245 NE2 GLN A 15 42.205 -27.755 20.034 1.00 0.00 N ATOM 0 H GLN A 15 42.380 -22.822 18.668 1.00 0.00 H new ATOM 0 HA GLN A 15 41.750 -25.296 17.511 1.00 0.00 H new ATOM 0 HB2 GLN A 15 40.873 -23.919 20.077 1.00 0.00 H new ATOM 0 HB3 GLN A 15 40.399 -25.560 19.687 1.00 0.00 H new ATOM 0 HG2 GLN A 15 43.300 -24.629 19.858 1.00 0.00 H new ATOM 0 HG3 GLN A 15 42.434 -25.372 21.189 1.00 0.00 H new ATOM 0 HE21 GLN A 15 41.485 -27.625 20.745 1.00 0.00 H new ATOM 0 HE22 GLN A 15 42.415 -28.690 19.686 1.00 0.00 H new ATOM 254 N SER A 16 39.213 -23.167 17.554 1.00 0.00 N ATOM 255 CA SER A 16 37.888 -22.892 16.976 1.00 0.00 C ATOM 256 C SER A 16 37.904 -22.977 15.443 1.00 0.00 C ATOM 257 O SER A 16 37.012 -23.587 14.851 1.00 0.00 O ATOM 258 CB SER A 16 37.382 -21.511 17.404 1.00 0.00 C ATOM 259 OG SER A 16 37.179 -21.453 18.804 1.00 0.00 O ATOM 0 H SER A 16 39.611 -22.373 18.056 1.00 0.00 H new ATOM 0 HA SER A 16 37.213 -23.659 17.355 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.102 -20.748 17.106 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.448 -21.287 16.889 1.00 0.00 H new ATOM 0 HG SER A 16 38.044 -21.373 19.257 1.00 0.00 H new ATOM 265 N LEU A 17 38.925 -22.409 14.787 1.00 0.00 N ATOM 266 CA LEU A 17 39.074 -22.477 13.329 1.00 0.00 C ATOM 267 C LEU A 17 39.391 -23.914 12.881 1.00 0.00 C ATOM 268 O LEU A 17 38.791 -24.402 11.927 1.00 0.00 O ATOM 269 CB LEU A 17 40.141 -21.466 12.872 1.00 0.00 C ATOM 270 CG LEU A 17 40.342 -21.395 11.344 1.00 0.00 C ATOM 271 CD1 LEU A 17 39.058 -21.093 10.560 1.00 0.00 C ATOM 272 CD2 LEU A 17 41.363 -20.304 11.018 1.00 0.00 C ATOM 0 H LEU A 17 39.670 -21.890 15.253 1.00 0.00 H new ATOM 0 HA LEU A 17 38.133 -22.205 12.851 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.865 -20.476 13.236 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.091 -21.724 13.339 1.00 0.00 H new ATOM 0 HG LEU A 17 40.685 -22.384 11.039 1.00 0.00 H new ATOM 0 HD11 LEU A 17 39.282 -21.059 9.494 1.00 0.00 H new ATOM 0 HD12 LEU A 17 38.322 -21.874 10.752 1.00 0.00 H new ATOM 0 HD13 LEU A 17 38.656 -20.131 10.877 1.00 0.00 H new ATOM 0 HD21 LEU A 17 41.507 -20.251 9.939 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.998 -19.344 11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.312 -20.538 11.500 1.00 0.00 H new ATOM 284 N VAL A 18 40.280 -24.618 13.592 1.00 0.00 N ATOM 285 CA VAL A 18 40.620 -26.032 13.340 1.00 0.00 C ATOM 286 C VAL A 18 39.366 -26.910 13.432 1.00 0.00 C ATOM 287 O VAL A 18 39.149 -27.754 12.560 1.00 0.00 O ATOM 288 CB VAL A 18 41.724 -26.501 14.312 1.00 0.00 C ATOM 289 CG1 VAL A 18 41.852 -28.026 14.379 1.00 0.00 C ATOM 290 CG2 VAL A 18 43.088 -25.939 13.893 1.00 0.00 C ATOM 0 H VAL A 18 40.796 -24.217 14.375 1.00 0.00 H new ATOM 0 HA VAL A 18 41.012 -26.128 12.327 1.00 0.00 H new ATOM 0 HB VAL A 18 41.429 -26.129 15.293 1.00 0.00 H new ATOM 0 HG11 VAL A 18 42.644 -28.294 15.078 1.00 0.00 H new ATOM 0 HG12 VAL A 18 40.909 -28.456 14.716 1.00 0.00 H new ATOM 0 HG13 VAL A 18 42.094 -28.415 13.390 1.00 0.00 H new ATOM 0 HG21 VAL A 18 43.852 -26.281 14.591 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.332 -26.286 12.889 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.051 -24.850 13.901 1.00 0.00 H new ATOM 300 N HIS A 19 38.518 -26.700 14.446 1.00 0.00 N ATOM 301 CA HIS A 19 37.236 -27.398 14.586 1.00 0.00 C ATOM 302 C HIS A 19 36.353 -27.107 13.361 1.00 0.00 C ATOM 303 O HIS A 19 35.917 -28.037 12.687 1.00 0.00 O ATOM 304 CB HIS A 19 36.544 -26.981 15.899 1.00 0.00 C ATOM 305 CG HIS A 19 35.147 -27.547 16.060 1.00 0.00 C ATOM 306 ND1 HIS A 19 34.768 -28.599 16.866 1.00 0.00 N ATOM 307 CD2 HIS A 19 34.013 -27.119 15.415 1.00 0.00 C ATOM 308 CE1 HIS A 19 33.445 -28.801 16.696 1.00 0.00 C ATOM 309 NE2 HIS A 19 32.937 -27.926 15.808 1.00 0.00 N ATOM 0 H HIS A 19 38.704 -26.036 15.197 1.00 0.00 H new ATOM 0 HA HIS A 19 37.407 -28.473 14.632 1.00 0.00 H new ATOM 0 HB2 HIS A 19 37.156 -27.305 16.740 1.00 0.00 H new ATOM 0 HB3 HIS A 19 36.493 -25.893 15.942 1.00 0.00 H new ATOM 0 HD2 HIS A 19 33.959 -26.295 14.719 1.00 0.00 H new ATOM 0 HE1 HIS A 19 32.871 -29.562 17.204 1.00 0.00 H new ATOM 0 HE2 HIS A 19 31.971 -27.863 15.488 1.00 0.00 H new ATOM 317 N ALA A 20 36.128 -25.828 13.031 1.00 0.00 N ATOM 318 CA ALA A 20 35.317 -25.416 11.884 1.00 0.00 C ATOM 319 C ALA A 20 35.801 -25.994 10.539 1.00 0.00 C ATOM 320 O ALA A 20 34.979 -26.317 9.679 1.00 0.00 O ATOM 321 CB ALA A 20 35.273 -23.888 11.854 1.00 0.00 C ATOM 0 H ALA A 20 36.509 -25.044 13.561 1.00 0.00 H new ATOM 0 HA ALA A 20 34.315 -25.826 12.013 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.673 -23.558 11.006 1.00 0.00 H new ATOM 0 HB2 ALA A 20 34.829 -23.519 12.778 1.00 0.00 H new ATOM 0 HB3 ALA A 20 36.286 -23.497 11.756 1.00 0.00 H new ATOM 327 N CYS A 21 37.117 -26.173 10.362 1.00 0.00 N ATOM 328 CA CYS A 21 37.715 -26.777 9.165 1.00 0.00 C ATOM 329 C CYS A 21 37.394 -28.283 9.013 1.00 0.00 C ATOM 330 O CYS A 21 37.595 -28.849 7.937 1.00 0.00 O ATOM 331 CB CYS A 21 39.233 -26.538 9.187 1.00 0.00 C ATOM 332 SG CYS A 21 39.583 -24.775 8.917 1.00 0.00 S ATOM 0 H CYS A 21 37.808 -25.897 11.060 1.00 0.00 H new ATOM 0 HA CYS A 21 37.271 -26.293 8.295 1.00 0.00 H new ATOM 0 HB2 CYS A 21 39.647 -26.858 10.143 1.00 0.00 H new ATOM 0 HB3 CYS A 21 39.716 -27.136 8.414 1.00 0.00 H new ATOM 0 HG CYS A 21 39.352 -24.114 10.012 1.00 0.00 H new ATOM 338 N GLN A 22 36.887 -28.930 10.069 1.00 0.00 N ATOM 339 CA GLN A 22 36.504 -30.351 10.111 1.00 0.00 C ATOM 340 C GLN A 22 34.990 -30.554 10.324 1.00 0.00 C ATOM 341 O GLN A 22 34.463 -31.619 9.996 1.00 0.00 O ATOM 342 CB GLN A 22 37.270 -31.040 11.251 1.00 0.00 C ATOM 343 CG GLN A 22 38.790 -31.041 11.047 1.00 0.00 C ATOM 344 CD GLN A 22 39.510 -31.446 12.326 1.00 0.00 C ATOM 345 OE1 GLN A 22 39.826 -32.604 12.568 1.00 0.00 O ATOM 346 NE2 GLN A 22 39.788 -30.497 13.193 1.00 0.00 N ATOM 0 H GLN A 22 36.724 -28.458 10.959 1.00 0.00 H new ATOM 0 HA GLN A 22 36.757 -30.788 9.145 1.00 0.00 H new ATOM 0 HB2 GLN A 22 37.037 -30.539 12.191 1.00 0.00 H new ATOM 0 HB3 GLN A 22 36.922 -32.069 11.343 1.00 0.00 H new ATOM 0 HG2 GLN A 22 39.053 -31.729 10.244 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.120 -30.049 10.738 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.526 -29.532 12.994 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.266 -30.726 14.065 1.00 0.00 H new ATOM 355 N CYS A 23 34.296 -29.553 10.874 1.00 0.00 N ATOM 356 CA CYS A 23 32.867 -29.566 11.165 1.00 0.00 C ATOM 357 C CYS A 23 31.989 -29.518 9.894 1.00 0.00 C ATOM 358 O CYS A 23 32.457 -29.275 8.775 1.00 0.00 O ATOM 359 CB CYS A 23 32.592 -28.419 12.151 1.00 0.00 C ATOM 360 SG CYS A 23 30.976 -28.612 12.959 1.00 0.00 S ATOM 0 H CYS A 23 34.739 -28.673 11.139 1.00 0.00 H new ATOM 0 HA CYS A 23 32.586 -30.514 11.624 1.00 0.00 H new ATOM 0 HB2 CYS A 23 33.377 -28.391 12.907 1.00 0.00 H new ATOM 0 HB3 CYS A 23 32.624 -27.467 11.622 1.00 0.00 H new ATOM 0 HG CYS A 23 30.784 -29.864 13.252 1.00 0.00 H new ATOM 365 N ARG A 24 30.694 -29.774 10.087 1.00 0.00 N ATOM 366 CA ARG A 24 29.632 -29.811 9.059 1.00 0.00 C ATOM 367 C ARG A 24 28.300 -29.208 9.525 1.00 0.00 C ATOM 368 O ARG A 24 27.447 -28.906 8.689 1.00 0.00 O ATOM 369 CB ARG A 24 29.386 -31.264 8.599 1.00 0.00 C ATOM 370 CG ARG A 24 30.424 -31.821 7.608 1.00 0.00 C ATOM 371 CD ARG A 24 31.609 -32.535 8.271 1.00 0.00 C ATOM 372 NE ARG A 24 32.588 -33.005 7.270 1.00 0.00 N ATOM 373 CZ ARG A 24 33.525 -32.293 6.666 1.00 0.00 C ATOM 374 NH1 ARG A 24 33.711 -31.023 6.893 1.00 0.00 N ATOM 375 NH2 ARG A 24 34.308 -32.857 5.790 1.00 0.00 N ATOM 0 H ARG A 24 30.328 -29.974 11.018 1.00 0.00 H new ATOM 0 HA ARG A 24 29.995 -29.196 8.235 1.00 0.00 H new ATOM 0 HB2 ARG A 24 29.364 -31.908 9.478 1.00 0.00 H new ATOM 0 HB3 ARG A 24 28.400 -31.320 8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 24 29.927 -32.517 6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 24 30.804 -31.001 6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 24 32.099 -31.857 8.970 1.00 0.00 H new ATOM 0 HD3 ARG A 24 31.245 -33.383 8.852 1.00 0.00 H new ATOM 0 HE ARG A 24 32.536 -33.991 7.015 1.00 0.00 H new ATOM 0 HH11 ARG A 24 33.119 -30.533 7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 24 34.449 -30.519 6.400 1.00 0.00 H new ATOM 0 HH21 ARG A 24 34.198 -33.847 5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 24 35.031 -32.308 5.324 1.00 0.00 H new ATOM 389 N ASN A 25 28.104 -29.024 10.832 1.00 0.00 N ATOM 390 CA ASN A 25 26.881 -28.467 11.412 1.00 0.00 C ATOM 391 C ASN A 25 26.633 -27.026 10.927 1.00 0.00 C ATOM 392 O ASN A 25 27.448 -26.136 11.188 1.00 0.00 O ATOM 393 CB ASN A 25 27.005 -28.473 12.945 1.00 0.00 C ATOM 394 CG ASN A 25 27.206 -29.835 13.583 1.00 0.00 C ATOM 395 OD1 ASN A 25 26.597 -30.829 13.209 1.00 0.00 O ATOM 396 ND2 ASN A 25 28.065 -29.911 14.569 1.00 0.00 N ATOM 0 H ASN A 25 28.807 -29.263 11.532 1.00 0.00 H new ATOM 0 HA ASN A 25 26.039 -29.081 11.093 1.00 0.00 H new ATOM 0 HB2 ASN A 25 27.842 -27.833 13.226 1.00 0.00 H new ATOM 0 HB3 ASN A 25 26.105 -28.024 13.366 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.232 -30.804 15.033 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.567 -29.077 14.873 1.00 0.00 H new ATOM 403 N ALA A 26 25.501 -26.770 10.265 1.00 0.00 N ATOM 404 CA ALA A 26 25.124 -25.424 9.813 1.00 0.00 C ATOM 405 C ALA A 26 24.873 -24.443 10.982 1.00 0.00 C ATOM 406 O ALA A 26 24.952 -23.226 10.808 1.00 0.00 O ATOM 407 CB ALA A 26 23.891 -25.550 8.909 1.00 0.00 C ATOM 0 H ALA A 26 24.818 -27.489 10.026 1.00 0.00 H new ATOM 0 HA ALA A 26 25.957 -24.996 9.256 1.00 0.00 H new ATOM 0 HB1 ALA A 26 23.592 -24.561 8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 26 24.131 -26.179 8.052 1.00 0.00 H new ATOM 0 HB3 ALA A 26 23.072 -25.999 9.471 1.00 0.00 H new ATOM 413 N ASN A 27 24.574 -24.979 12.174 1.00 0.00 N ATOM 414 CA ASN A 27 24.269 -24.252 13.410 1.00 0.00 C ATOM 415 C ASN A 27 24.907 -24.966 14.630 1.00 0.00 C ATOM 416 O ASN A 27 24.217 -25.278 15.606 1.00 0.00 O ATOM 417 CB ASN A 27 22.735 -24.104 13.521 1.00 0.00 C ATOM 418 CG ASN A 27 22.126 -23.290 12.389 1.00 0.00 C ATOM 419 OD1 ASN A 27 22.097 -22.068 12.414 1.00 0.00 O ATOM 420 ND2 ASN A 27 21.615 -23.932 11.360 1.00 0.00 N ATOM 0 H ASN A 27 24.537 -25.990 12.307 1.00 0.00 H new ATOM 0 HA ASN A 27 24.703 -23.252 13.392 1.00 0.00 H new ATOM 0 HB2 ASN A 27 22.281 -25.095 13.532 1.00 0.00 H new ATOM 0 HB3 ASN A 27 22.490 -23.631 14.472 1.00 0.00 H new ATOM 0 HD21 ASN A 27 21.198 -23.410 10.589 1.00 0.00 H new ATOM 0 HD22 ASN A 27 21.636 -24.951 11.333 1.00 0.00 H new ATOM 427 N CYS A 28 26.211 -25.274 14.546 1.00 0.00 N ATOM 428 CA CYS A 28 26.996 -25.971 15.573 1.00 0.00 C ATOM 429 C CYS A 28 26.823 -25.369 16.983 1.00 0.00 C ATOM 430 O CYS A 28 26.623 -24.160 17.136 1.00 0.00 O ATOM 431 CB CYS A 28 28.470 -25.947 15.137 1.00 0.00 C ATOM 432 SG CYS A 28 29.396 -27.331 15.870 1.00 0.00 S ATOM 0 H CYS A 28 26.768 -25.034 13.726 1.00 0.00 H new ATOM 0 HA CYS A 28 26.633 -26.996 15.653 1.00 0.00 H new ATOM 0 HB2 CYS A 28 28.531 -26.000 14.050 1.00 0.00 H new ATOM 0 HB3 CYS A 28 28.925 -25.003 15.436 1.00 0.00 H new ATOM 0 HG CYS A 28 30.060 -27.950 14.940 1.00 0.00 H new ATOM 437 N SER A 29 26.913 -26.194 18.028 1.00 0.00 N ATOM 438 CA SER A 29 26.760 -25.750 19.423 1.00 0.00 C ATOM 439 C SER A 29 27.859 -24.796 19.913 1.00 0.00 C ATOM 440 O SER A 29 27.655 -24.105 20.916 1.00 0.00 O ATOM 441 CB SER A 29 26.642 -26.955 20.365 1.00 0.00 C ATOM 442 OG SER A 29 27.798 -27.777 20.300 1.00 0.00 O ATOM 0 H SER A 29 27.095 -27.193 17.935 1.00 0.00 H new ATOM 0 HA SER A 29 25.837 -25.171 19.441 1.00 0.00 H new ATOM 0 HB2 SER A 29 26.498 -26.607 21.388 1.00 0.00 H new ATOM 0 HB3 SER A 29 25.762 -27.541 20.101 1.00 0.00 H new ATOM 0 HG SER A 29 27.695 -28.536 20.912 1.00 0.00 H new ATOM 448 N LEU A 30 28.994 -24.699 19.210 1.00 0.00 N ATOM 449 CA LEU A 30 30.066 -23.755 19.536 1.00 0.00 C ATOM 450 C LEU A 30 29.756 -22.368 18.937 1.00 0.00 C ATOM 451 O LEU A 30 29.442 -22.272 17.746 1.00 0.00 O ATOM 452 CB LEU A 30 31.419 -24.274 19.014 1.00 0.00 C ATOM 453 CG LEU A 30 32.084 -25.347 19.895 1.00 0.00 C ATOM 454 CD1 LEU A 30 33.385 -25.805 19.232 1.00 0.00 C ATOM 455 CD2 LEU A 30 32.440 -24.821 21.292 1.00 0.00 C ATOM 0 H LEU A 30 29.194 -25.278 18.394 1.00 0.00 H new ATOM 0 HA LEU A 30 30.128 -23.661 20.620 1.00 0.00 H new ATOM 0 HB2 LEU A 30 31.273 -24.684 18.015 1.00 0.00 H new ATOM 0 HB3 LEU A 30 32.102 -23.430 18.916 1.00 0.00 H new ATOM 0 HG LEU A 30 31.368 -26.162 20.000 1.00 0.00 H new ATOM 0 HD11 LEU A 30 33.861 -26.565 19.851 1.00 0.00 H new ATOM 0 HD12 LEU A 30 33.165 -26.223 18.249 1.00 0.00 H new ATOM 0 HD13 LEU A 30 34.057 -24.954 19.122 1.00 0.00 H new ATOM 0 HD21 LEU A 30 32.906 -25.617 21.873 1.00 0.00 H new ATOM 0 HD22 LEU A 30 33.133 -23.985 21.200 1.00 0.00 H new ATOM 0 HD23 LEU A 30 31.534 -24.487 21.797 1.00 0.00 H new ATOM 467 N PRO A 31 29.863 -21.276 19.722 1.00 0.00 N ATOM 468 CA PRO A 31 29.583 -19.924 19.236 1.00 0.00 C ATOM 469 C PRO A 31 30.575 -19.473 18.153 1.00 0.00 C ATOM 470 O PRO A 31 30.175 -18.833 17.178 1.00 0.00 O ATOM 471 CB PRO A 31 29.634 -19.028 20.480 1.00 0.00 C ATOM 472 CG PRO A 31 30.533 -19.792 21.454 1.00 0.00 C ATOM 473 CD PRO A 31 30.242 -21.251 21.128 1.00 0.00 C ATOM 0 HA PRO A 31 28.610 -19.873 18.746 1.00 0.00 H new ATOM 0 HB2 PRO A 31 30.044 -18.045 20.247 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.640 -18.868 20.897 1.00 0.00 H new ATOM 0 HG2 PRO A 31 31.585 -19.549 21.306 1.00 0.00 H new ATOM 0 HG3 PRO A 31 30.294 -19.556 22.491 1.00 0.00 H new ATOM 0 HD2 PRO A 31 31.118 -21.874 21.308 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.440 -21.640 21.756 1.00 0.00 H new ATOM 481 N SER A 32 31.861 -19.812 18.296 1.00 0.00 N ATOM 482 CA SER A 32 32.898 -19.439 17.325 1.00 0.00 C ATOM 483 C SER A 32 32.789 -20.225 16.015 1.00 0.00 C ATOM 484 O SER A 32 32.943 -19.629 14.959 1.00 0.00 O ATOM 485 CB SER A 32 34.302 -19.597 17.913 1.00 0.00 C ATOM 486 OG SER A 32 34.389 -18.980 19.188 1.00 0.00 O ATOM 0 H SER A 32 32.213 -20.352 19.087 1.00 0.00 H new ATOM 0 HA SER A 32 32.728 -18.387 17.095 1.00 0.00 H new ATOM 0 HB2 SER A 32 34.548 -20.655 17.999 1.00 0.00 H new ATOM 0 HB3 SER A 32 35.035 -19.154 17.239 1.00 0.00 H new ATOM 0 HG SER A 32 35.294 -19.095 19.546 1.00 0.00 H new ATOM 492 N CYS A 33 32.484 -21.528 16.044 1.00 0.00 N ATOM 493 CA CYS A 33 32.291 -22.391 14.865 1.00 0.00 C ATOM 494 C CYS A 33 31.304 -21.765 13.846 1.00 0.00 C ATOM 495 O CYS A 33 31.605 -21.647 12.652 1.00 0.00 O ATOM 496 CB CYS A 33 31.839 -23.767 15.393 1.00 0.00 C ATOM 497 SG CYS A 33 31.684 -25.039 14.100 1.00 0.00 S ATOM 0 H CYS A 33 32.359 -22.033 16.922 1.00 0.00 H new ATOM 0 HA CYS A 33 33.218 -22.503 14.302 1.00 0.00 H new ATOM 0 HB2 CYS A 33 32.552 -24.110 16.142 1.00 0.00 H new ATOM 0 HB3 CYS A 33 30.878 -23.655 15.895 1.00 0.00 H new ATOM 0 HG CYS A 33 31.037 -26.062 14.573 1.00 0.00 H new ATOM 502 N GLN A 34 30.161 -21.259 14.338 1.00 0.00 N ATOM 503 CA GLN A 34 29.142 -20.547 13.546 1.00 0.00 C ATOM 504 C GLN A 34 29.700 -19.308 12.807 1.00 0.00 C ATOM 505 O GLN A 34 29.195 -18.931 11.747 1.00 0.00 O ATOM 506 CB GLN A 34 27.990 -20.100 14.467 1.00 0.00 C ATOM 507 CG GLN A 34 27.203 -21.245 15.133 1.00 0.00 C ATOM 508 CD GLN A 34 26.184 -20.726 16.152 1.00 0.00 C ATOM 509 OE1 GLN A 34 25.664 -19.623 16.062 1.00 0.00 O ATOM 510 NE2 GLN A 34 25.831 -21.496 17.157 1.00 0.00 N ATOM 0 H GLN A 34 29.913 -21.336 15.324 1.00 0.00 H new ATOM 0 HA GLN A 34 28.791 -21.248 12.789 1.00 0.00 H new ATOM 0 HB2 GLN A 34 28.398 -19.458 15.248 1.00 0.00 H new ATOM 0 HB3 GLN A 34 27.296 -19.493 13.886 1.00 0.00 H new ATOM 0 HG2 GLN A 34 26.687 -21.823 14.367 1.00 0.00 H new ATOM 0 HG3 GLN A 34 27.899 -21.922 15.629 1.00 0.00 H new ATOM 0 HE21 GLN A 34 26.246 -22.422 17.260 1.00 0.00 H new ATOM 0 HE22 GLN A 34 25.142 -21.168 17.833 1.00 0.00 H new ATOM 519 N LYS A 35 30.737 -18.666 13.356 1.00 0.00 N ATOM 520 CA LYS A 35 31.431 -17.497 12.790 1.00 0.00 C ATOM 521 C LYS A 35 32.598 -17.913 11.889 1.00 0.00 C ATOM 522 O LYS A 35 32.726 -17.403 10.780 1.00 0.00 O ATOM 523 CB LYS A 35 31.869 -16.612 13.973 1.00 0.00 C ATOM 524 CG LYS A 35 32.597 -15.323 13.578 1.00 0.00 C ATOM 525 CD LYS A 35 32.877 -14.494 14.843 1.00 0.00 C ATOM 526 CE LYS A 35 33.554 -13.179 14.445 1.00 0.00 C ATOM 527 NZ LYS A 35 33.575 -12.183 15.543 1.00 0.00 N ATOM 0 H LYS A 35 31.136 -18.958 14.248 1.00 0.00 H new ATOM 0 HA LYS A 35 30.767 -16.929 12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 35 30.987 -16.350 14.558 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.521 -17.196 14.623 1.00 0.00 H new ATOM 0 HG2 LYS A 35 33.532 -15.560 13.069 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.990 -14.748 12.878 1.00 0.00 H new ATOM 0 HD2 LYS A 35 31.946 -14.292 15.373 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.517 -15.054 15.525 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.577 -13.384 14.129 1.00 0.00 H new ATOM 0 HE3 LYS A 35 33.034 -12.754 13.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.478 -11.667 15.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 32.790 -11.512 15.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 33.472 -12.670 16.456 1.00 0.00 H new ATOM 541 N MET A 36 33.413 -18.874 12.325 1.00 0.00 N ATOM 542 CA MET A 36 34.557 -19.424 11.586 1.00 0.00 C ATOM 543 C MET A 36 34.158 -19.970 10.209 1.00 0.00 C ATOM 544 O MET A 36 34.876 -19.761 9.228 1.00 0.00 O ATOM 545 CB MET A 36 35.240 -20.517 12.422 1.00 0.00 C ATOM 546 CG MET A 36 35.975 -19.986 13.658 1.00 0.00 C ATOM 547 SD MET A 36 37.315 -18.829 13.252 1.00 0.00 S ATOM 548 CE MET A 36 38.169 -18.733 14.843 1.00 0.00 C ATOM 0 H MET A 36 33.292 -19.310 13.239 1.00 0.00 H new ATOM 0 HA MET A 36 35.257 -18.608 11.410 1.00 0.00 H new ATOM 0 HB2 MET A 36 34.489 -21.239 12.741 1.00 0.00 H new ATOM 0 HB3 MET A 36 35.950 -21.052 11.792 1.00 0.00 H new ATOM 0 HG2 MET A 36 35.259 -19.488 14.312 1.00 0.00 H new ATOM 0 HG3 MET A 36 36.386 -20.826 14.217 1.00 0.00 H new ATOM 0 HE1 MET A 36 39.079 -18.144 14.732 1.00 0.00 H new ATOM 0 HE2 MET A 36 37.518 -18.260 15.578 1.00 0.00 H new ATOM 0 HE3 MET A 36 38.425 -19.738 15.179 1.00 0.00 H new ATOM 558 N LYS A 37 32.991 -20.619 10.106 1.00 0.00 N ATOM 559 CA LYS A 37 32.452 -21.101 8.824 1.00 0.00 C ATOM 560 C LYS A 37 32.135 -19.935 7.881 1.00 0.00 C ATOM 561 O LYS A 37 32.540 -19.975 6.723 1.00 0.00 O ATOM 562 CB LYS A 37 31.225 -21.992 9.081 1.00 0.00 C ATOM 563 CG LYS A 37 31.662 -23.372 9.600 1.00 0.00 C ATOM 564 CD LYS A 37 30.493 -24.147 10.213 1.00 0.00 C ATOM 565 CE LYS A 37 30.971 -25.538 10.639 1.00 0.00 C ATOM 566 NZ LYS A 37 30.197 -26.031 11.788 1.00 0.00 N ATOM 0 H LYS A 37 32.393 -20.825 10.907 1.00 0.00 H new ATOM 0 HA LYS A 37 33.209 -21.704 8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 37 30.567 -21.515 9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.653 -22.107 8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.090 -23.949 8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.446 -23.248 10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.096 -23.608 11.073 1.00 0.00 H new ATOM 0 HD3 LYS A 37 29.682 -24.235 9.490 1.00 0.00 H new ATOM 0 HE2 LYS A 37 30.872 -26.232 9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.029 -25.500 10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 30.354 -27.053 11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 30.503 -25.537 12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 29.185 -25.852 11.628 1.00 0.00 H new ATOM 580 N ARG A 38 31.494 -18.859 8.369 1.00 0.00 N ATOM 581 CA ARG A 38 31.212 -17.648 7.564 1.00 0.00 C ATOM 582 C ARG A 38 32.507 -16.955 7.124 1.00 0.00 C ATOM 583 O ARG A 38 32.619 -16.499 5.989 1.00 0.00 O ATOM 584 CB ARG A 38 30.327 -16.669 8.355 1.00 0.00 C ATOM 585 CG ARG A 38 28.914 -17.207 8.624 1.00 0.00 C ATOM 586 CD ARG A 38 28.131 -16.179 9.449 1.00 0.00 C ATOM 587 NE ARG A 38 26.721 -16.571 9.652 1.00 0.00 N ATOM 588 CZ ARG A 38 26.158 -16.920 10.795 1.00 0.00 C ATOM 589 NH1 ARG A 38 26.843 -17.256 11.846 1.00 0.00 N ATOM 590 NH2 ARG A 38 24.866 -16.916 10.931 1.00 0.00 N ATOM 0 H ARG A 38 31.156 -18.800 9.329 1.00 0.00 H new ATOM 0 HA ARG A 38 30.677 -17.963 6.668 1.00 0.00 H new ATOM 0 HB2 ARG A 38 30.809 -16.442 9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 38 30.252 -15.732 7.804 1.00 0.00 H new ATOM 0 HG2 ARG A 38 28.401 -17.402 7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 38 28.969 -18.155 9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 38 28.613 -16.053 10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 38 28.167 -15.212 8.947 1.00 0.00 H new ATOM 0 HE ARG A 38 26.122 -16.572 8.826 1.00 0.00 H new ATOM 0 HH11 ARG A 38 27.862 -17.258 11.811 1.00 0.00 H new ATOM 0 HH12 ARG A 38 26.362 -17.518 12.706 1.00 0.00 H new ATOM 0 HH21 ARG A 38 24.272 -16.641 10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 38 24.446 -17.188 11.820 1.00 0.00 H new ATOM 604 N VAL A 39 33.494 -16.914 8.017 1.00 0.00 N ATOM 605 CA VAL A 39 34.833 -16.344 7.808 1.00 0.00 C ATOM 606 C VAL A 39 35.590 -17.051 6.684 1.00 0.00 C ATOM 607 O VAL A 39 35.996 -16.389 5.727 1.00 0.00 O ATOM 608 CB VAL A 39 35.593 -16.404 9.148 1.00 0.00 C ATOM 609 CG1 VAL A 39 37.109 -16.310 9.090 1.00 0.00 C ATOM 610 CG2 VAL A 39 35.152 -15.254 10.039 1.00 0.00 C ATOM 0 H VAL A 39 33.380 -17.296 8.956 1.00 0.00 H new ATOM 0 HA VAL A 39 34.743 -15.307 7.486 1.00 0.00 H new ATOM 0 HB VAL A 39 35.345 -17.398 9.520 1.00 0.00 H new ATOM 0 HG11 VAL A 39 37.516 -16.365 10.100 1.00 0.00 H new ATOM 0 HG12 VAL A 39 37.502 -17.134 8.495 1.00 0.00 H new ATOM 0 HG13 VAL A 39 37.398 -15.363 8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 39 35.691 -15.299 10.985 1.00 0.00 H new ATOM 0 HG22 VAL A 39 35.367 -14.307 9.544 1.00 0.00 H new ATOM 0 HG23 VAL A 39 34.081 -15.330 10.228 1.00 0.00 H new ATOM 620 N VAL A 40 35.761 -18.379 6.753 1.00 0.00 N ATOM 621 CA VAL A 40 36.465 -19.119 5.689 1.00 0.00 C ATOM 622 C VAL A 40 35.693 -19.015 4.365 1.00 0.00 C ATOM 623 O VAL A 40 36.303 -18.749 3.332 1.00 0.00 O ATOM 624 CB VAL A 40 36.805 -20.567 6.107 1.00 0.00 C ATOM 625 CG1 VAL A 40 35.643 -21.558 5.994 1.00 0.00 C ATOM 626 CG2 VAL A 40 37.986 -21.091 5.278 1.00 0.00 C ATOM 0 H VAL A 40 35.427 -18.959 7.523 1.00 0.00 H new ATOM 0 HA VAL A 40 37.435 -18.650 5.523 1.00 0.00 H new ATOM 0 HB VAL A 40 37.056 -20.506 7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 40 35.976 -22.547 6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 40 34.823 -21.231 6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 40 35.302 -21.602 4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 40 38.218 -22.112 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 40 37.723 -21.076 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 40 38.857 -20.457 5.444 1.00 0.00 H new ATOM 636 N GLN A 41 34.357 -19.146 4.389 1.00 0.00 N ATOM 637 CA GLN A 41 33.475 -18.986 3.221 1.00 0.00 C ATOM 638 C GLN A 41 33.652 -17.626 2.534 1.00 0.00 C ATOM 639 O GLN A 41 33.726 -17.582 1.304 1.00 0.00 O ATOM 640 CB GLN A 41 32.004 -19.134 3.639 1.00 0.00 C ATOM 641 CG GLN A 41 31.558 -20.587 3.864 1.00 0.00 C ATOM 642 CD GLN A 41 31.338 -21.320 2.544 1.00 0.00 C ATOM 643 OE1 GLN A 41 30.326 -21.170 1.871 1.00 0.00 O ATOM 644 NE2 GLN A 41 32.277 -22.134 2.117 1.00 0.00 N ATOM 0 H GLN A 41 33.847 -19.372 5.243 1.00 0.00 H new ATOM 0 HA GLN A 41 33.753 -19.767 2.513 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.840 -18.569 4.556 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.373 -18.686 2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.311 -21.112 4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 41 30.636 -20.599 4.445 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.125 -22.268 2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.158 -22.632 1.235 1.00 0.00 H new ATOM 653 N HIS A 42 33.743 -16.528 3.298 1.00 0.00 N ATOM 654 CA HIS A 42 33.980 -15.205 2.721 1.00 0.00 C ATOM 655 C HIS A 42 35.325 -15.187 1.971 1.00 0.00 C ATOM 656 O HIS A 42 35.363 -14.902 0.773 1.00 0.00 O ATOM 657 CB HIS A 42 33.930 -14.109 3.806 1.00 0.00 C ATOM 658 CG HIS A 42 34.595 -12.837 3.331 1.00 0.00 C ATOM 659 ND1 HIS A 42 34.178 -12.054 2.274 1.00 0.00 N ATOM 660 CD2 HIS A 42 35.913 -12.531 3.556 1.00 0.00 C ATOM 661 CE1 HIS A 42 35.236 -11.346 1.839 1.00 0.00 C ATOM 662 NE2 HIS A 42 36.312 -11.589 2.602 1.00 0.00 N ATOM 0 H HIS A 42 33.656 -16.534 4.314 1.00 0.00 H new ATOM 0 HA HIS A 42 33.185 -14.991 2.006 1.00 0.00 H new ATOM 0 HB2 HIS A 42 32.893 -13.903 4.071 1.00 0.00 H new ATOM 0 HB3 HIS A 42 34.425 -14.465 4.709 1.00 0.00 H new ATOM 0 HD1 HIS A 42 33.234 -12.018 1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 42 36.535 -12.946 4.335 1.00 0.00 H new ATOM 0 HE1 HIS A 42 35.221 -10.675 0.993 1.00 0.00 H new ATOM 670 N THR A 43 36.421 -15.527 2.657 1.00 0.00 N ATOM 671 CA THR A 43 37.777 -15.505 2.086 1.00 0.00 C ATOM 672 C THR A 43 37.933 -16.411 0.867 1.00 0.00 C ATOM 673 O THR A 43 38.607 -16.033 -0.097 1.00 0.00 O ATOM 674 CB THR A 43 38.799 -15.831 3.180 1.00 0.00 C ATOM 675 OG1 THR A 43 38.887 -14.720 4.034 1.00 0.00 O ATOM 676 CG2 THR A 43 40.200 -16.142 2.660 1.00 0.00 C ATOM 0 H THR A 43 36.395 -15.828 3.631 1.00 0.00 H new ATOM 0 HA THR A 43 37.964 -14.498 1.714 1.00 0.00 H new ATOM 0 HB THR A 43 38.446 -16.732 3.682 1.00 0.00 H new ATOM 0 HG1 THR A 43 39.105 -13.921 3.510 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.859 -16.361 3.500 1.00 0.00 H new ATOM 0 HG22 THR A 43 40.158 -17.006 1.996 1.00 0.00 H new ATOM 0 HG23 THR A 43 40.584 -15.281 2.112 1.00 0.00 H new ATOM 684 N LYS A 44 37.263 -17.571 0.874 1.00 0.00 N ATOM 685 CA LYS A 44 37.189 -18.548 -0.228 1.00 0.00 C ATOM 686 C LYS A 44 36.581 -17.980 -1.527 1.00 0.00 C ATOM 687 O LYS A 44 36.663 -18.638 -2.565 1.00 0.00 O ATOM 688 CB LYS A 44 36.389 -19.773 0.265 1.00 0.00 C ATOM 689 CG LYS A 44 37.261 -20.805 0.993 1.00 0.00 C ATOM 690 CD LYS A 44 36.372 -21.870 1.663 1.00 0.00 C ATOM 691 CE LYS A 44 37.180 -23.062 2.200 1.00 0.00 C ATOM 692 NZ LYS A 44 37.665 -23.954 1.110 1.00 0.00 N ATOM 0 H LYS A 44 36.729 -17.872 1.689 1.00 0.00 H new ATOM 0 HA LYS A 44 38.208 -18.829 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 44 35.597 -19.437 0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 44 35.905 -20.251 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 44 37.942 -21.280 0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 44 37.876 -20.308 1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 44 35.818 -21.412 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 44 35.637 -22.229 0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 44 38.032 -22.693 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 44 36.561 -23.637 2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 38.204 -24.743 1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 36.852 -24.329 0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 38.278 -23.414 0.466 1.00 0.00 H new ATOM 706 N GLY A 45 35.994 -16.778 -1.490 1.00 0.00 N ATOM 707 CA GLY A 45 35.379 -16.103 -2.640 1.00 0.00 C ATOM 708 C GLY A 45 35.526 -14.574 -2.654 1.00 0.00 C ATOM 709 O GLY A 45 34.806 -13.919 -3.416 1.00 0.00 O ATOM 0 H GLY A 45 35.932 -16.231 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 45 35.818 -16.503 -3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 45 34.318 -16.351 -2.662 1.00 0.00 H new ATOM 713 N CYS A 46 36.423 -13.993 -1.844 1.00 0.00 N ATOM 714 CA CYS A 46 36.641 -12.545 -1.771 1.00 0.00 C ATOM 715 C CYS A 46 37.018 -11.919 -3.130 1.00 0.00 C ATOM 716 O CYS A 46 37.519 -12.579 -4.049 1.00 0.00 O ATOM 717 CB CYS A 46 37.661 -12.266 -0.661 1.00 0.00 C ATOM 718 SG CYS A 46 37.838 -10.486 -0.324 1.00 0.00 S ATOM 0 H CYS A 46 37.024 -14.524 -1.214 1.00 0.00 H new ATOM 0 HA CYS A 46 35.703 -12.052 -1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 46 37.353 -12.778 0.251 1.00 0.00 H new ATOM 0 HB3 CYS A 46 38.629 -12.678 -0.947 1.00 0.00 H new ATOM 0 HG CYS A 46 36.670 -9.917 -0.371 1.00 0.00 H new ATOM 723 N LYS A 47 36.767 -10.613 -3.230 1.00 0.00 N ATOM 724 CA LYS A 47 36.998 -9.746 -4.395 1.00 0.00 C ATOM 725 C LYS A 47 38.008 -8.626 -4.095 1.00 0.00 C ATOM 726 O LYS A 47 38.256 -7.790 -4.968 1.00 0.00 O ATOM 727 CB LYS A 47 35.645 -9.176 -4.871 1.00 0.00 C ATOM 728 CG LYS A 47 34.587 -10.203 -5.330 1.00 0.00 C ATOM 729 CD LYS A 47 34.832 -10.818 -6.722 1.00 0.00 C ATOM 730 CE LYS A 47 35.803 -12.007 -6.768 1.00 0.00 C ATOM 731 NZ LYS A 47 35.229 -13.235 -6.157 1.00 0.00 N ATOM 0 H LYS A 47 36.369 -10.094 -2.447 1.00 0.00 H new ATOM 0 HA LYS A 47 37.441 -10.343 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 47 35.219 -8.587 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 47 35.835 -8.490 -5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 47 34.543 -11.008 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 47 33.610 -9.719 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 47 33.874 -11.140 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 47 35.212 -10.037 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 47 36.072 -12.212 -7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 47 36.723 -11.741 -6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 35.801 -14.059 -6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 35.232 -13.141 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 34.252 -13.364 -6.490 1.00 0.00 H new ATOM 745 N ARG A 48 38.601 -8.603 -2.890 1.00 0.00 N ATOM 746 CA ARG A 48 39.593 -7.594 -2.468 1.00 0.00 C ATOM 747 C ARG A 48 40.815 -8.219 -1.790 1.00 0.00 C ATOM 748 O ARG A 48 41.930 -7.971 -2.250 1.00 0.00 O ATOM 749 CB ARG A 48 38.943 -6.485 -1.600 1.00 0.00 C ATOM 750 CG ARG A 48 37.699 -6.909 -0.796 1.00 0.00 C ATOM 751 CD ARG A 48 37.237 -5.853 0.212 1.00 0.00 C ATOM 752 NE ARG A 48 35.823 -6.037 0.600 1.00 0.00 N ATOM 753 CZ ARG A 48 35.278 -7.034 1.280 1.00 0.00 C ATOM 754 NH1 ARG A 48 35.941 -8.039 1.767 1.00 0.00 N ATOM 755 NH2 ARG A 48 33.992 -7.040 1.492 1.00 0.00 N ATOM 0 H ARG A 48 38.403 -9.296 -2.168 1.00 0.00 H new ATOM 0 HA ARG A 48 39.964 -7.117 -3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 48 39.692 -6.109 -0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 48 38.667 -5.655 -2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 48 36.884 -7.122 -1.488 1.00 0.00 H new ATOM 0 HG3 ARG A 48 37.917 -7.836 -0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 48 37.866 -5.901 1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 48 37.368 -4.860 -0.218 1.00 0.00 H new ATOM 0 HE ARG A 48 35.183 -5.299 0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 48 36.951 -8.096 1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 48 35.452 -8.772 2.281 1.00 0.00 H new ATOM 0 HH21 ARG A 48 33.413 -6.280 1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 48 33.565 -7.805 2.015 1.00 0.00 H new ATOM 769 N LYS A 49 40.621 -9.037 -0.753 1.00 0.00 N ATOM 770 CA LYS A 49 41.653 -9.713 0.058 1.00 0.00 C ATOM 771 C LYS A 49 42.894 -8.875 0.425 1.00 0.00 C ATOM 772 O LYS A 49 42.843 -7.643 0.381 1.00 0.00 O ATOM 773 CB LYS A 49 41.854 -11.146 -0.431 1.00 0.00 C ATOM 774 CG LYS A 49 42.201 -11.413 -1.897 1.00 0.00 C ATOM 775 CD LYS A 49 42.251 -12.928 -2.186 1.00 0.00 C ATOM 776 CE LYS A 49 40.964 -13.735 -1.890 1.00 0.00 C ATOM 777 NZ LYS A 49 40.741 -14.058 -0.448 1.00 0.00 N ATOM 0 H LYS A 49 39.680 -9.264 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 49 41.271 -9.815 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 49 42.645 -11.587 0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 49 40.939 -11.695 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 49 41.460 -10.940 -2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 49 43.164 -10.962 -2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 49 42.505 -13.066 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 49 43.065 -13.359 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 49 40.107 -13.171 -2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 49 40.999 -14.667 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 40.147 -14.908 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 41.656 -14.232 0.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 40.264 -13.259 0.017 1.00 0.00 H new ATOM 791 N THR A 50 44.007 -9.493 0.833 1.00 0.00 N ATOM 792 CA THR A 50 45.244 -8.773 1.225 1.00 0.00 C ATOM 793 C THR A 50 45.835 -7.925 0.091 1.00 0.00 C ATOM 794 O THR A 50 46.468 -6.901 0.352 1.00 0.00 O ATOM 795 CB THR A 50 46.340 -9.728 1.727 1.00 0.00 C ATOM 796 OG1 THR A 50 46.559 -10.749 0.781 1.00 0.00 O ATOM 797 CG2 THR A 50 45.974 -10.387 3.053 1.00 0.00 C ATOM 0 H THR A 50 44.086 -10.507 0.904 1.00 0.00 H new ATOM 0 HA THR A 50 44.929 -8.112 2.033 1.00 0.00 H new ATOM 0 HB THR A 50 47.237 -9.125 1.872 1.00 0.00 H new ATOM 0 HG1 THR A 50 47.259 -11.352 1.107 1.00 0.00 H new ATOM 0 HG21 THR A 50 46.780 -11.051 3.364 1.00 0.00 H new ATOM 0 HG22 THR A 50 45.824 -9.619 3.812 1.00 0.00 H new ATOM 0 HG23 THR A 50 45.056 -10.962 2.932 1.00 0.00 H new ATOM 805 N ASN A 51 45.616 -8.325 -1.169 1.00 0.00 N ATOM 806 CA ASN A 51 46.089 -7.615 -2.360 1.00 0.00 C ATOM 807 C ASN A 51 45.405 -6.242 -2.563 1.00 0.00 C ATOM 808 O ASN A 51 46.045 -5.306 -3.048 1.00 0.00 O ATOM 809 CB ASN A 51 45.873 -8.541 -3.570 1.00 0.00 C ATOM 810 CG ASN A 51 46.411 -7.943 -4.861 1.00 0.00 C ATOM 811 OD1 ASN A 51 45.682 -7.384 -5.669 1.00 0.00 O ATOM 812 ND2 ASN A 51 47.700 -8.040 -5.100 1.00 0.00 N ATOM 0 H ASN A 51 45.092 -9.172 -1.391 1.00 0.00 H new ATOM 0 HA ASN A 51 47.147 -7.382 -2.238 1.00 0.00 H new ATOM 0 HB2 ASN A 51 46.362 -9.497 -3.384 1.00 0.00 H new ATOM 0 HB3 ASN A 51 44.808 -8.744 -3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 51 48.090 -7.650 -5.958 1.00 0.00 H new ATOM 0 HD22 ASN A 51 48.310 -8.506 -4.428 1.00 0.00 H new ATOM 819 N GLY A 52 44.123 -6.117 -2.195 1.00 0.00 N ATOM 820 CA GLY A 52 43.320 -4.896 -2.348 1.00 0.00 C ATOM 821 C GLY A 52 43.101 -4.104 -1.054 1.00 0.00 C ATOM 822 O GLY A 52 43.079 -2.872 -1.103 1.00 0.00 O ATOM 0 H GLY A 52 43.601 -6.884 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 52 43.806 -4.247 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 52 42.348 -5.167 -2.761 1.00 0.00 H new ATOM 826 N GLY A 53 42.969 -4.775 0.100 1.00 0.00 N ATOM 827 CA GLY A 53 42.807 -4.124 1.414 1.00 0.00 C ATOM 828 C GLY A 53 41.709 -4.683 2.332 1.00 0.00 C ATOM 829 O GLY A 53 41.352 -4.018 3.308 1.00 0.00 O ATOM 0 H GLY A 53 42.971 -5.794 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 53 43.758 -4.186 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.604 -3.066 1.247 1.00 0.00 H new ATOM 833 N CYS A 54 41.161 -5.869 2.046 1.00 0.00 N ATOM 834 CA CYS A 54 40.119 -6.522 2.841 1.00 0.00 C ATOM 835 C CYS A 54 40.547 -6.737 4.310 1.00 0.00 C ATOM 836 O CYS A 54 41.610 -7.331 4.556 1.00 0.00 O ATOM 837 CB CYS A 54 39.862 -7.868 2.177 1.00 0.00 C ATOM 838 SG CYS A 54 38.562 -8.849 2.961 1.00 0.00 S ATOM 0 H CYS A 54 41.439 -6.416 1.231 1.00 0.00 H new ATOM 0 HA CYS A 54 39.228 -5.895 2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 54 39.595 -7.700 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 54 40.787 -8.444 2.180 1.00 0.00 H new ATOM 0 HG CYS A 54 38.769 -10.111 2.727 1.00 0.00 H new ATOM 843 N PRO A 55 39.753 -6.286 5.301 1.00 0.00 N ATOM 844 CA PRO A 55 40.081 -6.495 6.701 1.00 0.00 C ATOM 845 C PRO A 55 39.736 -7.917 7.162 1.00 0.00 C ATOM 846 O PRO A 55 40.335 -8.377 8.132 1.00 0.00 O ATOM 847 CB PRO A 55 39.248 -5.456 7.457 1.00 0.00 C ATOM 848 CG PRO A 55 37.976 -5.370 6.612 1.00 0.00 C ATOM 849 CD PRO A 55 38.493 -5.561 5.181 1.00 0.00 C ATOM 0 HA PRO A 55 41.150 -6.383 6.883 1.00 0.00 H new ATOM 0 HB2 PRO A 55 39.036 -5.772 8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 55 39.759 -4.495 7.520 1.00 0.00 H new ATOM 0 HG2 PRO A 55 37.257 -6.142 6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 55 37.475 -4.410 6.735 1.00 0.00 H new ATOM 0 HD2 PRO A 55 37.777 -6.121 4.579 1.00 0.00 H new ATOM 0 HD3 PRO A 55 38.641 -4.600 4.688 1.00 0.00 H new ATOM 857 N VAL A 56 38.812 -8.626 6.491 1.00 0.00 N ATOM 858 CA VAL A 56 38.442 -9.996 6.868 1.00 0.00 C ATOM 859 C VAL A 56 39.535 -10.968 6.443 1.00 0.00 C ATOM 860 O VAL A 56 40.112 -11.595 7.332 1.00 0.00 O ATOM 861 CB VAL A 56 37.078 -10.456 6.321 1.00 0.00 C ATOM 862 CG1 VAL A 56 36.719 -11.820 6.937 1.00 0.00 C ATOM 863 CG2 VAL A 56 35.936 -9.490 6.666 1.00 0.00 C ATOM 0 H VAL A 56 38.307 -8.268 5.681 1.00 0.00 H new ATOM 0 HA VAL A 56 38.340 -9.991 7.953 1.00 0.00 H new ATOM 0 HB VAL A 56 37.179 -10.502 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 56 35.754 -12.150 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 56 37.484 -12.551 6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 56 36.665 -11.726 8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 56 35.001 -9.869 6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 56 35.846 -9.405 7.749 1.00 0.00 H new ATOM 0 HG23 VAL A 56 36.149 -8.509 6.241 1.00 0.00 H new ATOM 873 N CYS A 57 39.858 -11.077 5.146 1.00 0.00 N ATOM 874 CA CYS A 57 40.891 -11.983 4.648 1.00 0.00 C ATOM 875 C CYS A 57 42.196 -11.872 5.447 1.00 0.00 C ATOM 876 O CYS A 57 42.680 -12.871 5.986 1.00 0.00 O ATOM 877 CB CYS A 57 41.123 -11.735 3.153 1.00 0.00 C ATOM 878 SG CYS A 57 39.736 -12.353 2.155 1.00 0.00 S ATOM 0 H CYS A 57 39.404 -10.533 4.412 1.00 0.00 H new ATOM 0 HA CYS A 57 40.538 -13.005 4.784 1.00 0.00 H new ATOM 0 HB2 CYS A 57 41.253 -10.667 2.976 1.00 0.00 H new ATOM 0 HB3 CYS A 57 42.045 -12.225 2.840 1.00 0.00 H new ATOM 0 HG CYS A 57 39.304 -11.404 1.378 1.00 0.00 H new ATOM 883 N LYS A 58 42.747 -10.657 5.584 1.00 0.00 N ATOM 884 CA LYS A 58 43.967 -10.372 6.328 1.00 0.00 C ATOM 885 C LYS A 58 43.927 -10.876 7.782 1.00 0.00 C ATOM 886 O LYS A 58 44.958 -11.302 8.307 1.00 0.00 O ATOM 887 CB LYS A 58 44.189 -8.858 6.195 1.00 0.00 C ATOM 888 CG LYS A 58 45.633 -8.480 6.489 1.00 0.00 C ATOM 889 CD LYS A 58 45.976 -7.086 5.936 1.00 0.00 C ATOM 890 CE LYS A 58 47.404 -6.682 6.317 1.00 0.00 C ATOM 891 NZ LYS A 58 47.728 -5.307 5.849 1.00 0.00 N ATOM 0 H LYS A 58 42.337 -9.823 5.163 1.00 0.00 H new ATOM 0 HA LYS A 58 44.816 -10.919 5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 58 43.926 -8.537 5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 58 43.526 -8.330 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 58 45.802 -8.497 7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 58 46.301 -9.221 6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 58 45.871 -7.085 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 58 45.270 -6.352 6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 58 47.521 -6.736 7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 58 48.111 -7.390 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 48.702 -5.067 6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 47.640 -5.263 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 47.069 -4.629 6.282 1.00 0.00 H new ATOM 905 N GLN A 59 42.746 -10.898 8.410 1.00 0.00 N ATOM 906 CA GLN A 59 42.548 -11.426 9.762 1.00 0.00 C ATOM 907 C GLN A 59 42.782 -12.945 9.822 1.00 0.00 C ATOM 908 O GLN A 59 43.465 -13.412 10.736 1.00 0.00 O ATOM 909 CB GLN A 59 41.135 -11.071 10.272 1.00 0.00 C ATOM 910 CG GLN A 59 41.115 -10.722 11.771 1.00 0.00 C ATOM 911 CD GLN A 59 41.690 -9.335 12.090 1.00 0.00 C ATOM 912 OE1 GLN A 59 42.358 -8.688 11.298 1.00 0.00 O ATOM 913 NE2 GLN A 59 41.447 -8.804 13.269 1.00 0.00 N ATOM 0 H GLN A 59 41.889 -10.544 7.986 1.00 0.00 H new ATOM 0 HA GLN A 59 43.287 -10.959 10.413 1.00 0.00 H new ATOM 0 HB2 GLN A 59 40.749 -10.226 9.701 1.00 0.00 H new ATOM 0 HB3 GLN A 59 40.466 -11.912 10.090 1.00 0.00 H new ATOM 0 HG2 GLN A 59 40.088 -10.772 12.133 1.00 0.00 H new ATOM 0 HG3 GLN A 59 41.682 -11.475 12.318 1.00 0.00 H new ATOM 0 HE21 GLN A 59 40.893 -9.317 13.955 1.00 0.00 H new ATOM 0 HE22 GLN A 59 41.813 -7.880 13.497 1.00 0.00 H new ATOM 922 N LEU A 60 42.273 -13.714 8.843 1.00 0.00 N ATOM 923 CA LEU A 60 42.506 -15.166 8.771 1.00 0.00 C ATOM 924 C LEU A 60 43.985 -15.448 8.539 1.00 0.00 C ATOM 925 O LEU A 60 44.556 -16.272 9.245 1.00 0.00 O ATOM 926 CB LEU A 60 41.771 -15.879 7.619 1.00 0.00 C ATOM 927 CG LEU A 60 40.244 -15.954 7.672 1.00 0.00 C ATOM 928 CD1 LEU A 60 39.634 -14.594 7.362 1.00 0.00 C ATOM 929 CD2 LEU A 60 39.782 -16.969 6.623 1.00 0.00 C ATOM 0 H LEU A 60 41.694 -13.350 8.086 1.00 0.00 H new ATOM 0 HA LEU A 60 42.131 -15.544 9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 60 42.048 -15.382 6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 60 42.153 -16.898 7.561 1.00 0.00 H new ATOM 0 HG LEU A 60 39.925 -16.256 8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 60 38.547 -14.665 7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 60 39.979 -13.865 8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 60 39.939 -14.277 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 60 38.695 -17.041 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 60 40.108 -16.645 5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 60 40.214 -17.945 6.846 1.00 0.00 H new ATOM 941 N ILE A 61 44.601 -14.787 7.548 1.00 0.00 N ATOM 942 CA ILE A 61 46.014 -15.024 7.212 1.00 0.00 C ATOM 943 C ILE A 61 46.903 -14.865 8.447 1.00 0.00 C ATOM 944 O ILE A 61 47.743 -15.726 8.677 1.00 0.00 O ATOM 945 CB ILE A 61 46.540 -14.147 6.053 1.00 0.00 C ATOM 946 CG1 ILE A 61 45.623 -14.083 4.818 1.00 0.00 C ATOM 947 CG2 ILE A 61 47.904 -14.668 5.552 1.00 0.00 C ATOM 948 CD1 ILE A 61 45.560 -15.397 4.045 1.00 0.00 C ATOM 0 H ILE A 61 44.144 -14.085 6.966 1.00 0.00 H new ATOM 0 HA ILE A 61 46.062 -16.054 6.858 1.00 0.00 H new ATOM 0 HB ILE A 61 46.600 -13.150 6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 61 44.617 -13.807 5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 61 45.975 -13.295 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 61 48.257 -14.037 4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 61 48.625 -14.643 6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 61 47.794 -15.693 5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 61 44.897 -15.283 3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 61 46.559 -15.664 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 61 45.179 -16.184 4.696 1.00 0.00 H new ATOM 960 N ALA A 62 46.713 -13.824 9.271 1.00 0.00 N ATOM 961 CA ALA A 62 47.499 -13.648 10.498 1.00 0.00 C ATOM 962 C ALA A 62 47.338 -14.867 11.425 1.00 0.00 C ATOM 963 O ALA A 62 48.320 -15.494 11.828 1.00 0.00 O ATOM 964 CB ALA A 62 47.065 -12.347 11.199 1.00 0.00 C ATOM 0 H ALA A 62 46.021 -13.092 9.109 1.00 0.00 H new ATOM 0 HA ALA A 62 48.556 -13.571 10.244 1.00 0.00 H new ATOM 0 HB1 ALA A 62 47.647 -12.213 12.111 1.00 0.00 H new ATOM 0 HB2 ALA A 62 47.235 -11.501 10.533 1.00 0.00 H new ATOM 0 HB3 ALA A 62 46.006 -12.405 11.450 1.00 0.00 H new ATOM 970 N LEU A 63 46.085 -15.220 11.720 1.00 0.00 N ATOM 971 CA LEU A 63 45.699 -16.347 12.573 1.00 0.00 C ATOM 972 C LEU A 63 46.316 -17.673 12.074 1.00 0.00 C ATOM 973 O LEU A 63 46.909 -18.426 12.849 1.00 0.00 O ATOM 974 CB LEU A 63 44.155 -16.348 12.624 1.00 0.00 C ATOM 975 CG LEU A 63 43.541 -16.794 13.958 1.00 0.00 C ATOM 976 CD1 LEU A 63 42.060 -16.407 13.983 1.00 0.00 C ATOM 977 CD2 LEU A 63 43.652 -18.297 14.160 1.00 0.00 C ATOM 0 H LEU A 63 45.280 -14.709 11.357 1.00 0.00 H new ATOM 0 HA LEU A 63 46.090 -16.243 13.585 1.00 0.00 H new ATOM 0 HB2 LEU A 63 43.800 -15.342 12.398 1.00 0.00 H new ATOM 0 HB3 LEU A 63 43.783 -17.002 11.835 1.00 0.00 H new ATOM 0 HG LEU A 63 44.091 -16.299 14.759 1.00 0.00 H new ATOM 0 HD11 LEU A 63 41.618 -16.721 14.928 1.00 0.00 H new ATOM 0 HD12 LEU A 63 41.965 -15.326 13.879 1.00 0.00 H new ATOM 0 HD13 LEU A 63 41.542 -16.898 13.159 1.00 0.00 H new ATOM 0 HD21 LEU A 63 43.205 -18.570 15.116 1.00 0.00 H new ATOM 0 HD22 LEU A 63 43.128 -18.812 13.355 1.00 0.00 H new ATOM 0 HD23 LEU A 63 44.702 -18.588 14.154 1.00 0.00 H new ATOM 989 N CYS A 64 46.241 -17.930 10.766 1.00 0.00 N ATOM 990 CA CYS A 64 46.830 -19.095 10.110 1.00 0.00 C ATOM 991 C CYS A 64 48.367 -19.041 10.099 1.00 0.00 C ATOM 992 O CYS A 64 48.980 -20.076 10.326 1.00 0.00 O ATOM 993 CB CYS A 64 46.259 -19.228 8.694 1.00 0.00 C ATOM 994 SG CYS A 64 44.474 -19.570 8.762 1.00 0.00 S ATOM 0 H CYS A 64 45.753 -17.313 10.116 1.00 0.00 H new ATOM 0 HA CYS A 64 46.564 -19.983 10.684 1.00 0.00 H new ATOM 0 HB2 CYS A 64 46.439 -18.310 8.134 1.00 0.00 H new ATOM 0 HB3 CYS A 64 46.770 -20.031 8.163 1.00 0.00 H new ATOM 0 HG CYS A 64 43.826 -18.459 8.950 1.00 0.00 H new ATOM 1000 N CYS A 65 49.013 -17.882 9.902 1.00 0.00 N ATOM 1001 CA CYS A 65 50.475 -17.735 9.976 1.00 0.00 C ATOM 1002 C CYS A 65 50.986 -18.112 11.374 1.00 0.00 C ATOM 1003 O CYS A 65 51.943 -18.875 11.492 1.00 0.00 O ATOM 1004 CB CYS A 65 50.900 -16.298 9.635 1.00 0.00 C ATOM 1005 SG CYS A 65 50.896 -15.999 7.846 1.00 0.00 S ATOM 0 H CYS A 65 48.530 -17.010 9.684 1.00 0.00 H new ATOM 0 HA CYS A 65 50.916 -18.411 9.244 1.00 0.00 H new ATOM 0 HB2 CYS A 65 50.225 -15.594 10.122 1.00 0.00 H new ATOM 0 HB3 CYS A 65 51.897 -16.110 10.032 1.00 0.00 H new ATOM 0 HG CYS A 65 50.594 -14.756 7.614 1.00 0.00 H new ATOM 1011 N TYR A 66 50.326 -17.624 12.432 1.00 0.00 N ATOM 1012 CA TYR A 66 50.665 -17.927 13.829 1.00 0.00 C ATOM 1013 C TYR A 66 50.737 -19.441 14.088 1.00 0.00 C ATOM 1014 O TYR A 66 51.641 -19.926 14.770 1.00 0.00 O ATOM 1015 CB TYR A 66 49.616 -17.276 14.738 1.00 0.00 C ATOM 1016 CG TYR A 66 50.071 -16.994 16.155 1.00 0.00 C ATOM 1017 CD1 TYR A 66 50.756 -15.797 16.426 1.00 0.00 C ATOM 1018 CD2 TYR A 66 49.731 -17.862 17.209 1.00 0.00 C ATOM 1019 CE1 TYR A 66 51.003 -15.410 17.756 1.00 0.00 C ATOM 1020 CE2 TYR A 66 50.011 -17.497 18.541 1.00 0.00 C ATOM 1021 CZ TYR A 66 50.631 -16.261 18.817 1.00 0.00 C ATOM 1022 OH TYR A 66 50.869 -15.895 20.104 1.00 0.00 O ATOM 0 H TYR A 66 49.527 -16.996 12.340 1.00 0.00 H new ATOM 0 HA TYR A 66 51.654 -17.524 14.045 1.00 0.00 H new ATOM 0 HB2 TYR A 66 49.297 -16.338 14.283 1.00 0.00 H new ATOM 0 HB3 TYR A 66 48.741 -17.925 14.777 1.00 0.00 H new ATOM 0 HD1 TYR A 66 51.093 -15.173 15.612 1.00 0.00 H new ATOM 0 HD2 TYR A 66 49.255 -18.808 16.997 1.00 0.00 H new ATOM 0 HE1 TYR A 66 51.477 -14.462 17.964 1.00 0.00 H new ATOM 0 HE2 TYR A 66 49.751 -18.164 19.350 1.00 0.00 H new ATOM 0 HH TYR A 66 50.549 -16.597 20.708 1.00 0.00 H new ATOM 1032 N HIS A 67 49.803 -20.192 13.496 1.00 0.00 N ATOM 1033 CA HIS A 67 49.748 -21.648 13.562 1.00 0.00 C ATOM 1034 C HIS A 67 50.779 -22.303 12.610 1.00 0.00 C ATOM 1035 O HIS A 67 51.629 -23.076 13.059 1.00 0.00 O ATOM 1036 CB HIS A 67 48.302 -22.077 13.251 1.00 0.00 C ATOM 1037 CG HIS A 67 48.153 -23.566 13.116 1.00 0.00 C ATOM 1038 ND1 HIS A 67 48.002 -24.481 14.137 1.00 0.00 N ATOM 1039 CD2 HIS A 67 48.340 -24.274 11.959 1.00 0.00 C ATOM 1040 CE1 HIS A 67 48.137 -25.711 13.610 1.00 0.00 C ATOM 1041 NE2 HIS A 67 48.351 -25.634 12.286 1.00 0.00 N ATOM 0 H HIS A 67 49.046 -19.789 12.944 1.00 0.00 H new ATOM 0 HA HIS A 67 50.021 -21.992 14.560 1.00 0.00 H new ATOM 0 HB2 HIS A 67 47.644 -21.721 14.043 1.00 0.00 H new ATOM 0 HB3 HIS A 67 47.977 -21.599 12.327 1.00 0.00 H new ATOM 0 HD2 HIS A 67 48.458 -23.857 10.970 1.00 0.00 H new ATOM 0 HE1 HIS A 67 48.081 -26.631 14.172 1.00 0.00 H new ATOM 0 HE2 HIS A 67 48.494 -26.414 11.645 1.00 0.00 H new ATOM 1049 N ALA A 68 50.740 -21.985 11.309 1.00 0.00 N ATOM 1050 CA ALA A 68 51.601 -22.543 10.266 1.00 0.00 C ATOM 1051 C ALA A 68 53.112 -22.389 10.518 1.00 0.00 C ATOM 1052 O ALA A 68 53.883 -23.267 10.118 1.00 0.00 O ATOM 1053 CB ALA A 68 51.173 -21.930 8.930 1.00 0.00 C ATOM 0 H ALA A 68 50.077 -21.302 10.942 1.00 0.00 H new ATOM 0 HA ALA A 68 51.462 -23.624 10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 68 51.798 -22.327 8.130 1.00 0.00 H new ATOM 0 HB2 ALA A 68 50.130 -22.179 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 68 51.286 -20.847 8.974 1.00 0.00 H new ATOM 1059 N LYS A 69 53.553 -21.318 11.204 1.00 0.00 N ATOM 1060 CA LYS A 69 54.967 -21.117 11.579 1.00 0.00 C ATOM 1061 C LYS A 69 55.508 -22.298 12.392 1.00 0.00 C ATOM 1062 O LYS A 69 56.605 -22.782 12.112 1.00 0.00 O ATOM 1063 CB LYS A 69 55.139 -19.824 12.404 1.00 0.00 C ATOM 1064 CG LYS A 69 55.239 -18.534 11.577 1.00 0.00 C ATOM 1065 CD LYS A 69 55.393 -17.279 12.465 1.00 0.00 C ATOM 1066 CE LYS A 69 56.847 -16.782 12.584 1.00 0.00 C ATOM 1067 NZ LYS A 69 57.709 -17.674 13.406 1.00 0.00 N ATOM 0 H LYS A 69 52.938 -20.566 11.515 1.00 0.00 H new ATOM 0 HA LYS A 69 55.532 -21.038 10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 69 54.296 -19.734 13.089 1.00 0.00 H new ATOM 0 HB3 LYS A 69 56.038 -19.917 13.014 1.00 0.00 H new ATOM 0 HG2 LYS A 69 56.090 -18.604 10.900 1.00 0.00 H new ATOM 0 HG3 LYS A 69 54.347 -18.432 10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 69 54.776 -16.478 12.058 1.00 0.00 H new ATOM 0 HD3 LYS A 69 55.011 -17.500 13.462 1.00 0.00 H new ATOM 0 HE2 LYS A 69 57.276 -16.693 11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 69 56.848 -15.784 13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 58.659 -17.259 13.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 57.294 -17.781 14.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 57.778 -18.606 12.951 1.00 0.00 H new ATOM 1081 N HIS A 70 54.742 -22.754 13.384 1.00 0.00 N ATOM 1082 CA HIS A 70 55.095 -23.864 14.274 1.00 0.00 C ATOM 1083 C HIS A 70 54.641 -25.256 13.789 1.00 0.00 C ATOM 1084 O HIS A 70 55.278 -26.251 14.145 1.00 0.00 O ATOM 1085 CB HIS A 70 54.553 -23.556 15.678 1.00 0.00 C ATOM 1086 CG HIS A 70 55.202 -22.338 16.292 1.00 0.00 C ATOM 1087 ND1 HIS A 70 56.403 -22.309 16.969 1.00 0.00 N ATOM 1088 CD2 HIS A 70 54.750 -21.046 16.228 1.00 0.00 C ATOM 1089 CE1 HIS A 70 56.666 -21.035 17.305 1.00 0.00 C ATOM 1090 NE2 HIS A 70 55.686 -20.222 16.869 1.00 0.00 N ATOM 0 H HIS A 70 53.830 -22.349 13.598 1.00 0.00 H new ATOM 0 HA HIS A 70 56.183 -23.932 14.283 1.00 0.00 H new ATOM 0 HB2 HIS A 70 53.476 -23.401 15.622 1.00 0.00 H new ATOM 0 HB3 HIS A 70 54.718 -24.417 16.325 1.00 0.00 H new ATOM 0 HD2 HIS A 70 53.831 -20.719 15.764 1.00 0.00 H new ATOM 0 HE1 HIS A 70 57.541 -20.709 17.848 1.00 0.00 H new ATOM 0 HE2 HIS A 70 55.635 -19.210 16.982 1.00 0.00 H new ATOM 1098 N CYS A 71 53.565 -25.352 12.997 1.00 0.00 N ATOM 1099 CA CYS A 71 53.024 -26.632 12.518 1.00 0.00 C ATOM 1100 C CYS A 71 54.024 -27.436 11.667 1.00 0.00 C ATOM 1101 O CYS A 71 54.790 -26.873 10.875 1.00 0.00 O ATOM 1102 CB CYS A 71 51.742 -26.368 11.728 1.00 0.00 C ATOM 1103 SG CYS A 71 50.787 -27.909 11.518 1.00 0.00 S ATOM 0 H CYS A 71 53.042 -24.540 12.669 1.00 0.00 H new ATOM 0 HA CYS A 71 52.813 -27.246 13.394 1.00 0.00 H new ATOM 0 HB2 CYS A 71 51.135 -25.626 12.247 1.00 0.00 H new ATOM 0 HB3 CYS A 71 51.990 -25.951 10.752 1.00 0.00 H new ATOM 0 HG CYS A 71 49.824 -27.945 12.391 1.00 0.00 H new ATOM 1108 N GLN A 72 53.990 -28.762 11.802 1.00 0.00 N ATOM 1109 CA GLN A 72 54.857 -29.700 11.079 1.00 0.00 C ATOM 1110 C GLN A 72 54.090 -30.742 10.237 1.00 0.00 C ATOM 1111 O GLN A 72 54.709 -31.497 9.485 1.00 0.00 O ATOM 1112 CB GLN A 72 55.768 -30.435 12.087 1.00 0.00 C ATOM 1113 CG GLN A 72 56.670 -29.595 12.991 1.00 0.00 C ATOM 1114 CD GLN A 72 57.551 -28.619 12.235 1.00 0.00 C ATOM 1115 OE1 GLN A 72 58.381 -28.962 11.403 1.00 0.00 O ATOM 1116 NE2 GLN A 72 57.368 -27.353 12.505 1.00 0.00 N ATOM 0 H GLN A 72 53.341 -29.229 12.435 1.00 0.00 H new ATOM 0 HA GLN A 72 55.439 -29.102 10.378 1.00 0.00 H new ATOM 0 HB2 GLN A 72 55.131 -31.046 12.727 1.00 0.00 H new ATOM 0 HB3 GLN A 72 56.404 -31.118 11.524 1.00 0.00 H new ATOM 0 HG2 GLN A 72 56.049 -29.041 13.695 1.00 0.00 H new ATOM 0 HG3 GLN A 72 57.302 -30.261 13.579 1.00 0.00 H new ATOM 0 HE21 GLN A 72 56.675 -27.075 13.199 1.00 0.00 H new ATOM 0 HE22 GLN A 72 57.919 -26.644 12.021 1.00 0.00 H new ATOM 1125 N GLU A 73 52.759 -30.809 10.342 1.00 0.00 N ATOM 1126 CA GLU A 73 51.925 -31.766 9.602 1.00 0.00 C ATOM 1127 C GLU A 73 51.750 -31.360 8.124 1.00 0.00 C ATOM 1128 O GLU A 73 51.825 -30.181 7.767 1.00 0.00 O ATOM 1129 CB GLU A 73 50.577 -31.898 10.338 1.00 0.00 C ATOM 1130 CG GLU A 73 49.634 -33.016 9.873 1.00 0.00 C ATOM 1131 CD GLU A 73 50.326 -34.386 9.783 1.00 0.00 C ATOM 1132 OE1 GLU A 73 50.350 -35.139 10.786 1.00 0.00 O ATOM 1133 OE2 GLU A 73 50.856 -34.697 8.691 1.00 0.00 O ATOM 0 H GLU A 73 52.222 -30.192 10.951 1.00 0.00 H new ATOM 0 HA GLU A 73 52.418 -32.738 9.575 1.00 0.00 H new ATOM 0 HB2 GLU A 73 50.783 -32.048 11.398 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.048 -30.949 10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 73 48.793 -33.085 10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 73 49.225 -32.757 8.896 1.00 0.00 H new ATOM 1140 N ASN A 74 51.484 -32.342 7.261 1.00 0.00 N ATOM 1141 CA ASN A 74 51.292 -32.178 5.812 1.00 0.00 C ATOM 1142 C ASN A 74 49.842 -32.463 5.366 1.00 0.00 C ATOM 1143 O ASN A 74 49.490 -32.252 4.205 1.00 0.00 O ATOM 1144 CB ASN A 74 52.306 -33.078 5.081 1.00 0.00 C ATOM 1145 CG ASN A 74 53.744 -32.654 5.337 1.00 0.00 C ATOM 1146 OD1 ASN A 74 54.187 -31.592 4.926 1.00 0.00 O ATOM 1147 ND2 ASN A 74 54.524 -33.467 6.017 1.00 0.00 N ATOM 0 H ASN A 74 51.392 -33.313 7.560 1.00 0.00 H new ATOM 0 HA ASN A 74 51.470 -31.135 5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 74 52.171 -34.110 5.404 1.00 0.00 H new ATOM 0 HB3 ASN A 74 52.107 -33.050 4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 74 55.494 -33.210 6.199 1.00 0.00 H new ATOM 0 HD22 ASN A 74 54.159 -34.355 6.362 1.00 0.00 H new ATOM 1154 N LYS A 75 49.006 -32.925 6.305 1.00 0.00 N ATOM 1155 CA LYS A 75 47.584 -33.288 6.158 1.00 0.00 C ATOM 1156 C LYS A 75 46.653 -32.450 7.062 1.00 0.00 C ATOM 1157 O LYS A 75 45.509 -32.840 7.309 1.00 0.00 O ATOM 1158 CB LYS A 75 47.414 -34.796 6.462 1.00 0.00 C ATOM 1159 CG LYS A 75 48.439 -35.762 5.839 1.00 0.00 C ATOM 1160 CD LYS A 75 48.496 -35.703 4.307 1.00 0.00 C ATOM 1161 CE LYS A 75 49.625 -36.578 3.746 1.00 0.00 C ATOM 1162 NZ LYS A 75 49.351 -38.033 3.898 1.00 0.00 N ATOM 0 H LYS A 75 49.328 -33.067 7.262 1.00 0.00 H new ATOM 0 HA LYS A 75 47.291 -33.071 5.131 1.00 0.00 H new ATOM 0 HB2 LYS A 75 47.441 -34.927 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 75 46.421 -35.097 6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 75 49.427 -35.535 6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 75 48.197 -36.780 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 75 47.542 -36.032 3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 75 48.643 -34.671 3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 75 49.768 -36.347 2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 75 50.557 -36.332 4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 50.144 -38.579 3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 49.241 -38.262 4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 48.477 -38.276 3.390 1.00 0.00 H new ATOM 1176 N CYS A 76 47.158 -31.327 7.581 1.00 0.00 N ATOM 1177 CA CYS A 76 46.479 -30.399 8.491 1.00 0.00 C ATOM 1178 C CYS A 76 45.084 -29.975 7.939 1.00 0.00 C ATOM 1179 O CYS A 76 44.965 -29.717 6.734 1.00 0.00 O ATOM 1180 CB CYS A 76 47.453 -29.219 8.705 1.00 0.00 C ATOM 1181 SG CYS A 76 47.280 -28.434 10.337 1.00 0.00 S ATOM 0 H CYS A 76 48.107 -31.023 7.365 1.00 0.00 H new ATOM 0 HA CYS A 76 46.251 -30.862 9.451 1.00 0.00 H new ATOM 0 HB2 CYS A 76 48.476 -29.575 8.587 1.00 0.00 H new ATOM 0 HB3 CYS A 76 47.284 -28.472 7.930 1.00 0.00 H new ATOM 0 HG CYS A 76 48.458 -28.229 10.847 1.00 0.00 H new ATOM 1186 N PRO A 77 44.008 -29.921 8.754 1.00 0.00 N ATOM 1187 CA PRO A 77 42.661 -29.606 8.264 1.00 0.00 C ATOM 1188 C PRO A 77 42.472 -28.161 7.774 1.00 0.00 C ATOM 1189 O PRO A 77 41.622 -27.921 6.914 1.00 0.00 O ATOM 1190 CB PRO A 77 41.720 -29.921 9.431 1.00 0.00 C ATOM 1191 CG PRO A 77 42.602 -29.744 10.665 1.00 0.00 C ATOM 1192 CD PRO A 77 43.969 -30.218 10.177 1.00 0.00 C ATOM 0 HA PRO A 77 42.454 -30.201 7.374 1.00 0.00 H new ATOM 0 HB2 PRO A 77 40.865 -29.245 9.450 1.00 0.00 H new ATOM 0 HB3 PRO A 77 41.324 -30.934 9.364 1.00 0.00 H new ATOM 0 HG2 PRO A 77 42.629 -28.706 10.997 1.00 0.00 H new ATOM 0 HG3 PRO A 77 42.245 -30.338 11.506 1.00 0.00 H new ATOM 0 HD2 PRO A 77 44.772 -29.705 10.706 1.00 0.00 H new ATOM 0 HD3 PRO A 77 44.100 -31.285 10.357 1.00 0.00 H new ATOM 1200 N VAL A 78 43.240 -27.197 8.293 1.00 0.00 N ATOM 1201 CA VAL A 78 43.162 -25.782 7.893 1.00 0.00 C ATOM 1202 C VAL A 78 43.648 -25.635 6.440 1.00 0.00 C ATOM 1203 O VAL A 78 44.775 -26.047 6.148 1.00 0.00 O ATOM 1204 CB VAL A 78 44.001 -24.901 8.839 1.00 0.00 C ATOM 1205 CG1 VAL A 78 43.854 -23.413 8.501 1.00 0.00 C ATOM 1206 CG2 VAL A 78 43.562 -25.073 10.300 1.00 0.00 C ATOM 0 H VAL A 78 43.942 -27.376 9.011 1.00 0.00 H new ATOM 0 HA VAL A 78 42.126 -25.449 7.959 1.00 0.00 H new ATOM 0 HB VAL A 78 45.035 -25.221 8.708 1.00 0.00 H new ATOM 0 HG11 VAL A 78 44.459 -22.822 9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 78 44.190 -23.237 7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 78 42.808 -23.120 8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 78 44.174 -24.438 10.941 1.00 0.00 H new ATOM 0 HG22 VAL A 78 42.515 -24.789 10.401 1.00 0.00 H new ATOM 0 HG23 VAL A 78 43.686 -26.114 10.597 1.00 0.00 H new ATOM 1216 N PRO A 79 42.859 -25.053 5.509 1.00 0.00 N ATOM 1217 CA PRO A 79 43.277 -24.940 4.106 1.00 0.00 C ATOM 1218 C PRO A 79 44.508 -24.041 3.909 1.00 0.00 C ATOM 1219 O PRO A 79 45.313 -24.271 3.005 1.00 0.00 O ATOM 1220 CB PRO A 79 42.049 -24.412 3.353 1.00 0.00 C ATOM 1221 CG PRO A 79 41.230 -23.695 4.425 1.00 0.00 C ATOM 1222 CD PRO A 79 41.523 -24.495 5.693 1.00 0.00 C ATOM 0 HA PRO A 79 43.600 -25.908 3.724 1.00 0.00 H new ATOM 0 HB2 PRO A 79 42.336 -23.732 2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 79 41.483 -25.224 2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 79 41.531 -22.653 4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 79 40.167 -23.697 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 79 41.483 -23.857 6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 79 40.785 -25.285 5.837 1.00 0.00 H new ATOM 1230 N PHE A 80 44.669 -23.024 4.760 1.00 0.00 N ATOM 1231 CA PHE A 80 45.785 -22.081 4.698 1.00 0.00 C ATOM 1232 C PHE A 80 47.090 -22.557 5.333 1.00 0.00 C ATOM 1233 O PHE A 80 48.140 -22.084 4.906 1.00 0.00 O ATOM 1234 CB PHE A 80 45.365 -20.754 5.331 1.00 0.00 C ATOM 1235 CG PHE A 80 44.807 -19.816 4.292 1.00 0.00 C ATOM 1236 CD1 PHE A 80 45.691 -19.070 3.489 1.00 0.00 C ATOM 1237 CD2 PHE A 80 43.423 -19.778 4.055 1.00 0.00 C ATOM 1238 CE1 PHE A 80 45.180 -18.292 2.439 1.00 0.00 C ATOM 1239 CE2 PHE A 80 42.914 -18.987 3.010 1.00 0.00 C ATOM 1240 CZ PHE A 80 43.793 -18.247 2.201 1.00 0.00 C ATOM 0 H PHE A 80 44.018 -22.831 5.521 1.00 0.00 H new ATOM 0 HA PHE A 80 46.008 -21.973 3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 80 44.617 -20.935 6.103 1.00 0.00 H new ATOM 0 HB3 PHE A 80 46.222 -20.292 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 80 46.754 -19.096 3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 80 42.752 -20.355 4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 80 45.853 -17.726 1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 80 41.850 -18.948 2.829 1.00 0.00 H new ATOM 0 HZ PHE A 80 43.404 -17.643 1.395 1.00 0.00 H new ATOM 1250 N CYS A 81 47.060 -23.459 6.318 1.00 0.00 N ATOM 1251 CA CYS A 81 48.273 -23.932 6.993 1.00 0.00 C ATOM 1252 C CYS A 81 49.311 -24.469 5.990 1.00 0.00 C ATOM 1253 O CYS A 81 50.434 -23.959 5.920 1.00 0.00 O ATOM 1254 CB CYS A 81 47.875 -24.955 8.067 1.00 0.00 C ATOM 1255 SG CYS A 81 49.317 -25.681 8.905 1.00 0.00 S ATOM 0 H CYS A 81 46.200 -23.880 6.669 1.00 0.00 H new ATOM 0 HA CYS A 81 48.770 -23.098 7.489 1.00 0.00 H new ATOM 0 HB2 CYS A 81 47.235 -24.472 8.805 1.00 0.00 H new ATOM 0 HB3 CYS A 81 47.288 -25.750 7.607 1.00 0.00 H new ATOM 0 HG CYS A 81 48.954 -26.756 9.540 1.00 0.00 H new ATOM 1260 N LEU A 82 48.913 -25.436 5.151 1.00 0.00 N ATOM 1261 CA LEU A 82 49.779 -26.021 4.116 1.00 0.00 C ATOM 1262 C LEU A 82 50.291 -24.962 3.125 1.00 0.00 C ATOM 1263 O LEU A 82 51.481 -24.909 2.818 1.00 0.00 O ATOM 1264 CB LEU A 82 49.064 -27.161 3.360 1.00 0.00 C ATOM 1265 CG LEU A 82 48.642 -28.413 4.158 1.00 0.00 C ATOM 1266 CD1 LEU A 82 49.661 -28.852 5.211 1.00 0.00 C ATOM 1267 CD2 LEU A 82 47.288 -28.257 4.843 1.00 0.00 C ATOM 0 H LEU A 82 47.975 -25.837 5.171 1.00 0.00 H new ATOM 0 HA LEU A 82 50.643 -26.439 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 82 48.170 -26.744 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 82 49.719 -27.486 2.552 1.00 0.00 H new ATOM 0 HG LEU A 82 48.578 -29.186 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 82 49.291 -29.737 5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 82 50.609 -29.085 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 82 49.810 -28.047 5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 82 47.048 -29.170 5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 82 47.327 -27.419 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 82 46.520 -28.070 4.093 1.00 0.00 H new ATOM 1279 N ASN A 83 49.391 -24.099 2.654 1.00 0.00 N ATOM 1280 CA ASN A 83 49.688 -23.008 1.727 1.00 0.00 C ATOM 1281 C ASN A 83 50.718 -22.003 2.288 1.00 0.00 C ATOM 1282 O ASN A 83 51.658 -21.623 1.583 1.00 0.00 O ATOM 1283 CB ASN A 83 48.347 -22.376 1.354 1.00 0.00 C ATOM 1284 CG ASN A 83 48.535 -21.166 0.473 1.00 0.00 C ATOM 1285 OD1 ASN A 83 49.281 -21.150 -0.494 1.00 0.00 O ATOM 1286 ND2 ASN A 83 47.883 -20.095 0.819 1.00 0.00 N ATOM 0 H ASN A 83 48.406 -24.141 2.915 1.00 0.00 H new ATOM 0 HA ASN A 83 50.180 -23.386 0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 83 47.728 -23.110 0.839 1.00 0.00 H new ATOM 0 HB3 ASN A 83 47.814 -22.089 2.260 1.00 0.00 H new ATOM 0 HD21 ASN A 83 47.993 -19.235 0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 83 47.262 -20.115 1.628 1.00 0.00 H new ATOM 1293 N ILE A 84 50.565 -21.571 3.545 1.00 0.00 N ATOM 1294 CA ILE A 84 51.472 -20.623 4.194 1.00 0.00 C ATOM 1295 C ILE A 84 52.790 -21.293 4.584 1.00 0.00 C ATOM 1296 O ILE A 84 53.844 -20.776 4.211 1.00 0.00 O ATOM 1297 CB ILE A 84 50.770 -19.978 5.411 1.00 0.00 C ATOM 1298 CG1 ILE A 84 49.543 -19.164 4.952 1.00 0.00 C ATOM 1299 CG2 ILE A 84 51.684 -19.052 6.235 1.00 0.00 C ATOM 1300 CD1 ILE A 84 48.623 -18.837 6.120 1.00 0.00 C ATOM 0 H ILE A 84 49.798 -21.875 4.145 1.00 0.00 H new ATOM 0 HA ILE A 84 51.722 -19.833 3.486 1.00 0.00 H new ATOM 0 HB ILE A 84 50.476 -20.809 6.053 1.00 0.00 H new ATOM 0 HG12 ILE A 84 49.874 -18.240 4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 84 48.992 -19.728 4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 84 51.122 -18.637 7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 84 52.532 -19.622 6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 84 52.046 -18.241 5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 84 47.769 -18.263 5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 84 48.272 -19.762 6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 84 49.168 -18.251 6.860 1.00 0.00 H new ATOM 1312 N LYS A 85 52.769 -22.433 5.295 1.00 0.00 N ATOM 1313 CA LYS A 85 53.993 -23.128 5.741 1.00 0.00 C ATOM 1314 C LYS A 85 54.949 -23.431 4.587 1.00 0.00 C ATOM 1315 O LYS A 85 56.150 -23.241 4.749 1.00 0.00 O ATOM 1316 CB LYS A 85 53.668 -24.345 6.638 1.00 0.00 C ATOM 1317 CG LYS A 85 53.429 -25.680 5.911 1.00 0.00 C ATOM 1318 CD LYS A 85 52.479 -26.630 6.655 1.00 0.00 C ATOM 1319 CE LYS A 85 52.764 -26.858 8.140 1.00 0.00 C ATOM 1320 NZ LYS A 85 51.615 -27.560 8.738 1.00 0.00 N ATOM 0 H LYS A 85 51.907 -22.899 5.577 1.00 0.00 H new ATOM 0 HA LYS A 85 54.547 -22.439 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 85 54.489 -24.481 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 85 52.780 -24.111 7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 85 53.022 -25.476 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 85 54.387 -26.180 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 85 51.465 -26.242 6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 85 52.500 -27.597 6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 85 53.673 -27.446 8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 85 52.929 -25.906 8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 51.780 -27.692 9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 50.752 -26.996 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 51.500 -28.488 8.283 1.00 0.00 H new ATOM 1334 N HIS A 86 54.440 -23.802 3.406 1.00 0.00 N ATOM 1335 CA HIS A 86 55.284 -24.007 2.222 1.00 0.00 C ATOM 1336 C HIS A 86 56.065 -22.737 1.857 1.00 0.00 C ATOM 1337 O HIS A 86 57.281 -22.795 1.663 1.00 0.00 O ATOM 1338 CB HIS A 86 54.430 -24.473 1.031 1.00 0.00 C ATOM 1339 CG HIS A 86 54.535 -25.957 0.790 1.00 0.00 C ATOM 1340 ND1 HIS A 86 55.516 -26.571 0.047 1.00 0.00 N ATOM 1341 CD2 HIS A 86 53.717 -26.943 1.273 1.00 0.00 C ATOM 1342 CE1 HIS A 86 55.299 -27.896 0.073 1.00 0.00 C ATOM 1343 NE2 HIS A 86 54.208 -28.175 0.810 1.00 0.00 N ATOM 0 H HIS A 86 53.446 -23.967 3.244 1.00 0.00 H new ATOM 0 HA HIS A 86 56.010 -24.783 2.463 1.00 0.00 H new ATOM 0 HB2 HIS A 86 53.388 -24.210 1.211 1.00 0.00 H new ATOM 0 HB3 HIS A 86 54.743 -23.940 0.133 1.00 0.00 H new ATOM 0 HD2 HIS A 86 52.849 -26.799 1.899 1.00 0.00 H new ATOM 0 HE1 HIS A 86 55.912 -28.632 -0.426 1.00 0.00 H new ATOM 0 HE2 HIS A 86 53.816 -29.098 0.996 1.00 0.00 H new ATOM 1351 N LYS A 87 55.395 -21.575 1.822 1.00 0.00 N ATOM 1352 CA LYS A 87 56.036 -20.286 1.522 1.00 0.00 C ATOM 1353 C LYS A 87 57.026 -19.871 2.610 1.00 0.00 C ATOM 1354 O LYS A 87 58.131 -19.446 2.278 1.00 0.00 O ATOM 1355 CB LYS A 87 54.963 -19.207 1.272 1.00 0.00 C ATOM 1356 CG LYS A 87 54.654 -19.101 -0.231 1.00 0.00 C ATOM 1357 CD LYS A 87 53.513 -18.125 -0.578 1.00 0.00 C ATOM 1358 CE LYS A 87 52.098 -18.622 -0.250 1.00 0.00 C ATOM 1359 NZ LYS A 87 51.775 -19.916 -0.899 1.00 0.00 N ATOM 0 H LYS A 87 54.393 -21.503 2.001 1.00 0.00 H new ATOM 0 HA LYS A 87 56.622 -20.401 0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 87 54.054 -19.454 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 87 55.311 -18.245 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 87 55.557 -18.786 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 87 54.396 -20.091 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 87 53.684 -17.189 -0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 87 53.562 -17.899 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 87 51.997 -18.728 0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 87 51.373 -17.872 -0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 50.782 -20.160 -0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 51.924 -19.837 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 52.392 -20.660 -0.516 1.00 0.00 H new ATOM 1373 N LEU A 88 56.673 -20.013 3.892 1.00 0.00 N ATOM 1374 CA LEU A 88 57.575 -19.625 4.989 1.00 0.00 C ATOM 1375 C LEU A 88 58.844 -20.495 5.043 1.00 0.00 C ATOM 1376 O LEU A 88 59.951 -19.966 5.150 1.00 0.00 O ATOM 1377 CB LEU A 88 56.859 -19.647 6.357 1.00 0.00 C ATOM 1378 CG LEU A 88 55.528 -18.877 6.475 1.00 0.00 C ATOM 1379 CD1 LEU A 88 55.209 -18.625 7.952 1.00 0.00 C ATOM 1380 CD2 LEU A 88 55.478 -17.553 5.709 1.00 0.00 C ATOM 0 H LEU A 88 55.776 -20.391 4.197 1.00 0.00 H new ATOM 0 HA LEU A 88 57.881 -18.601 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 88 56.671 -20.687 6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 88 57.546 -19.248 7.103 1.00 0.00 H new ATOM 0 HG LEU A 88 54.778 -19.516 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.268 -18.081 8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 88 55.123 -19.578 8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 88 56.009 -18.036 8.402 1.00 0.00 H new ATOM 0 HD21 LEU A 88 54.504 -17.086 5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 88 56.258 -16.888 6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.637 -17.741 4.647 1.00 0.00 H new ATOM 1704 N ASN B 722 32.439 -7.578 10.512 1.00 0.00 N ATOM 1705 CA ASN B 722 32.546 -8.104 11.872 1.00 0.00 C ATOM 1706 C ASN B 722 32.711 -9.633 11.906 1.00 0.00 C ATOM 1707 O ASN B 722 32.821 -10.220 12.983 1.00 0.00 O ATOM 1708 CB ASN B 722 31.353 -7.602 12.683 1.00 0.00 C ATOM 1709 CG ASN B 722 31.519 -7.751 14.186 1.00 0.00 C ATOM 1710 OD1 ASN B 722 30.663 -8.283 14.878 1.00 0.00 O ATOM 1711 ND2 ASN B 722 32.607 -7.263 14.746 1.00 0.00 N ATOM 0 HA ASN B 722 33.460 -7.730 12.333 1.00 0.00 H new ATOM 0 HB2 ASN B 722 31.185 -6.551 12.449 1.00 0.00 H new ATOM 0 HB3 ASN B 722 30.461 -8.145 12.371 1.00 0.00 H new ATOM 0 HD21 ASN B 722 32.734 -7.329 15.756 1.00 0.00 H new ATOM 0 HD22 ASN B 722 33.322 -6.819 14.170 1.00 0.00 H new ATOM 1718 N LEU B 723 32.820 -10.274 10.730 1.00 0.00 N ATOM 1719 CA LEU B 723 33.190 -11.687 10.599 1.00 0.00 C ATOM 1720 C LEU B 723 34.528 -11.945 11.321 1.00 0.00 C ATOM 1721 O LEU B 723 34.771 -13.054 11.771 1.00 0.00 O ATOM 1722 CB LEU B 723 33.307 -12.072 9.103 1.00 0.00 C ATOM 1723 CG LEU B 723 32.027 -12.046 8.254 1.00 0.00 C ATOM 1724 CD1 LEU B 723 32.295 -12.688 6.890 1.00 0.00 C ATOM 1725 CD2 LEU B 723 30.864 -12.787 8.909 1.00 0.00 C ATOM 0 H LEU B 723 32.651 -9.816 9.834 1.00 0.00 H new ATOM 0 HA LEU B 723 32.415 -12.301 11.057 1.00 0.00 H new ATOM 0 HB2 LEU B 723 34.030 -11.400 8.640 1.00 0.00 H new ATOM 0 HB3 LEU B 723 33.725 -13.077 9.048 1.00 0.00 H new ATOM 0 HG LEU B 723 31.747 -10.998 8.151 1.00 0.00 H new ATOM 0 HD11 LEU B 723 31.384 -12.667 6.292 1.00 0.00 H new ATOM 0 HD12 LEU B 723 33.080 -12.134 6.375 1.00 0.00 H new ATOM 0 HD13 LEU B 723 32.613 -13.721 7.030 1.00 0.00 H new ATOM 0 HD21 LEU B 723 29.988 -12.734 8.262 1.00 0.00 H new ATOM 0 HD22 LEU B 723 31.138 -13.831 9.063 1.00 0.00 H new ATOM 0 HD23 LEU B 723 30.634 -12.326 9.870 1.00 0.00 H new ATOM 1737 N LEU B 724 35.355 -10.902 11.475 1.00 0.00 N ATOM 1738 CA LEU B 724 36.682 -10.869 12.110 1.00 0.00 C ATOM 1739 C LEU B 724 36.841 -11.889 13.269 1.00 0.00 C ATOM 1740 O LEU B 724 36.309 -11.655 14.358 1.00 0.00 O ATOM 1741 CB LEU B 724 37.009 -9.418 12.534 1.00 0.00 C ATOM 1742 CG LEU B 724 36.803 -8.328 11.453 1.00 0.00 C ATOM 1743 CD1 LEU B 724 37.444 -7.019 11.908 1.00 0.00 C ATOM 1744 CD2 LEU B 724 37.420 -8.719 10.107 1.00 0.00 C ATOM 0 H LEU B 724 35.091 -9.980 11.129 1.00 0.00 H new ATOM 0 HA LEU B 724 37.417 -11.192 11.373 1.00 0.00 H new ATOM 0 HB2 LEU B 724 36.393 -9.166 13.397 1.00 0.00 H new ATOM 0 HB3 LEU B 724 38.048 -9.383 12.863 1.00 0.00 H new ATOM 0 HG LEU B 724 35.727 -8.213 11.321 1.00 0.00 H new ATOM 0 HD11 LEU B 724 37.296 -6.256 11.144 1.00 0.00 H new ATOM 0 HD12 LEU B 724 36.983 -6.693 12.840 1.00 0.00 H new ATOM 0 HD13 LEU B 724 38.512 -7.172 12.066 1.00 0.00 H new ATOM 0 HD21 LEU B 724 37.249 -7.922 9.383 1.00 0.00 H new ATOM 0 HD22 LEU B 724 38.492 -8.874 10.229 1.00 0.00 H new ATOM 0 HD23 LEU B 724 36.959 -9.640 9.749 1.00 0.00 H new ATOM 1756 N PRO B 725 37.537 -13.030 13.057 1.00 0.00 N ATOM 1757 CA PRO B 725 37.682 -14.108 14.049 1.00 0.00 C ATOM 1758 C PRO B 725 38.656 -13.812 15.204 1.00 0.00 C ATOM 1759 O PRO B 725 38.815 -14.639 16.103 1.00 0.00 O ATOM 1760 CB PRO B 725 38.168 -15.314 13.233 1.00 0.00 C ATOM 1761 CG PRO B 725 39.009 -14.669 12.137 1.00 0.00 C ATOM 1762 CD PRO B 725 38.196 -13.421 11.813 1.00 0.00 C ATOM 0 HA PRO B 725 36.731 -14.263 14.558 1.00 0.00 H new ATOM 0 HB2 PRO B 725 38.756 -16.002 13.841 1.00 0.00 H new ATOM 0 HB3 PRO B 725 37.336 -15.884 12.820 1.00 0.00 H new ATOM 0 HG2 PRO B 725 40.013 -14.424 12.483 1.00 0.00 H new ATOM 0 HG3 PRO B 725 39.120 -15.321 11.270 1.00 0.00 H new ATOM 0 HD2 PRO B 725 38.840 -12.622 11.445 1.00 0.00 H new ATOM 0 HD3 PRO B 725 37.464 -13.625 11.032 1.00 0.00 H new ATOM 1770 N MET B 726 39.328 -12.658 15.179 1.00 0.00 N ATOM 1771 CA MET B 726 40.337 -12.237 16.153 1.00 0.00 C ATOM 1772 C MET B 726 40.285 -10.717 16.366 1.00 0.00 C ATOM 1773 O MET B 726 39.996 -9.964 15.431 1.00 0.00 O ATOM 1774 CB MET B 726 41.687 -12.710 15.602 1.00 0.00 C ATOM 1775 CG MET B 726 42.901 -12.399 16.469 1.00 0.00 C ATOM 1776 SD MET B 726 44.404 -13.298 15.997 1.00 0.00 S ATOM 1777 CE MET B 726 44.600 -12.783 14.270 1.00 0.00 C ATOM 0 H MET B 726 39.177 -11.963 14.448 1.00 0.00 H new ATOM 0 HA MET B 726 40.162 -12.674 17.136 1.00 0.00 H new ATOM 0 HB2 MET B 726 41.639 -13.788 15.450 1.00 0.00 H new ATOM 0 HB3 MET B 726 41.838 -12.257 14.622 1.00 0.00 H new ATOM 0 HG2 MET B 726 43.102 -11.329 16.422 1.00 0.00 H new ATOM 0 HG3 MET B 726 42.662 -12.633 17.506 1.00 0.00 H new ATOM 0 HE1 MET B 726 45.541 -13.171 13.879 1.00 0.00 H new ATOM 0 HE2 MET B 726 43.772 -13.173 13.678 1.00 0.00 H new ATOM 0 HE3 MET B 726 44.605 -11.694 14.213 1.00 0.00 H new ATOM 1787 N SER B 727 40.564 -10.273 17.590 1.00 0.00 N ATOM 1788 CA SER B 727 40.535 -8.858 18.011 1.00 0.00 C ATOM 1789 C SER B 727 41.797 -8.093 17.580 1.00 0.00 C ATOM 1790 O SER B 727 42.827 -8.725 17.344 1.00 0.00 O ATOM 1791 CB SER B 727 40.397 -8.797 19.540 1.00 0.00 C ATOM 1792 OG SER B 727 39.104 -9.231 19.932 1.00 0.00 O ATOM 0 H SER B 727 40.826 -10.903 18.348 1.00 0.00 H new ATOM 0 HA SER B 727 39.684 -8.381 17.524 1.00 0.00 H new ATOM 0 HB2 SER B 727 41.156 -9.425 20.007 1.00 0.00 H new ATOM 0 HB3 SER B 727 40.568 -7.778 19.888 1.00 0.00 H new ATOM 0 HG SER B 727 39.027 -9.190 20.908 1.00 0.00 H new ATOM 1798 N PRO B 728 41.784 -6.745 17.499 1.00 0.00 N ATOM 1799 CA PRO B 728 42.965 -5.967 17.103 1.00 0.00 C ATOM 1800 C PRO B 728 44.169 -6.146 18.046 1.00 0.00 C ATOM 1801 O PRO B 728 45.307 -6.187 17.583 1.00 0.00 O ATOM 1802 CB PRO B 728 42.497 -4.510 17.016 1.00 0.00 C ATOM 1803 CG PRO B 728 41.256 -4.464 17.906 1.00 0.00 C ATOM 1804 CD PRO B 728 40.654 -5.857 17.743 1.00 0.00 C ATOM 0 HA PRO B 728 43.345 -6.321 16.145 1.00 0.00 H new ATOM 0 HB2 PRO B 728 43.266 -3.823 17.368 1.00 0.00 H new ATOM 0 HB3 PRO B 728 42.262 -4.227 15.990 1.00 0.00 H new ATOM 0 HG2 PRO B 728 41.514 -4.256 18.945 1.00 0.00 H new ATOM 0 HG3 PRO B 728 40.562 -3.686 17.588 1.00 0.00 H new ATOM 0 HD2 PRO B 728 40.107 -6.155 18.638 1.00 0.00 H new ATOM 0 HD3 PRO B 728 39.947 -5.884 16.913 1.00 0.00 H new ATOM 1812 N GLU B 729 43.947 -6.297 19.358 1.00 0.00 N ATOM 1813 CA GLU B 729 45.028 -6.532 20.336 1.00 0.00 C ATOM 1814 C GLU B 729 45.665 -7.927 20.168 1.00 0.00 C ATOM 1815 O GLU B 729 46.870 -8.100 20.350 1.00 0.00 O ATOM 1816 CB GLU B 729 44.491 -6.373 21.768 1.00 0.00 C ATOM 1817 CG GLU B 729 44.034 -4.938 22.066 1.00 0.00 C ATOM 1818 CD GLU B 729 43.564 -4.797 23.527 1.00 0.00 C ATOM 1819 OE1 GLU B 729 42.361 -5.023 23.806 1.00 0.00 O ATOM 1820 OE2 GLU B 729 44.391 -4.451 24.405 1.00 0.00 O ATOM 0 H GLU B 729 43.017 -6.261 19.775 1.00 0.00 H new ATOM 0 HA GLU B 729 45.803 -5.788 20.150 1.00 0.00 H new ATOM 0 HB2 GLU B 729 43.655 -7.056 21.917 1.00 0.00 H new ATOM 0 HB3 GLU B 729 45.267 -6.659 22.478 1.00 0.00 H new ATOM 0 HG2 GLU B 729 44.854 -4.245 21.876 1.00 0.00 H new ATOM 0 HG3 GLU B 729 43.223 -4.664 21.392 1.00 0.00 H new ATOM 1827 N GLU B 730 44.864 -8.921 19.772 1.00 0.00 N ATOM 1828 CA GLU B 730 45.319 -10.286 19.476 1.00 0.00 C ATOM 1829 C GLU B 730 46.064 -10.295 18.134 1.00 0.00 C ATOM 1830 O GLU B 730 47.175 -10.810 18.041 1.00 0.00 O ATOM 1831 CB GLU B 730 44.109 -11.228 19.417 1.00 0.00 C ATOM 1832 CG GLU B 730 43.401 -11.364 20.769 1.00 0.00 C ATOM 1833 CD GLU B 730 42.102 -12.193 20.698 1.00 0.00 C ATOM 1834 OE1 GLU B 730 41.398 -12.159 19.660 1.00 0.00 O ATOM 1835 OE2 GLU B 730 41.761 -12.828 21.724 1.00 0.00 O ATOM 0 H GLU B 730 43.859 -8.798 19.645 1.00 0.00 H new ATOM 0 HA GLU B 730 45.995 -10.627 20.260 1.00 0.00 H new ATOM 0 HB2 GLU B 730 43.401 -10.858 18.676 1.00 0.00 H new ATOM 0 HB3 GLU B 730 44.436 -12.212 19.082 1.00 0.00 H new ATOM 0 HG2 GLU B 730 44.082 -11.829 21.482 1.00 0.00 H new ATOM 0 HG3 GLU B 730 43.169 -10.370 21.151 1.00 0.00 H new ATOM 1842 N PHE B 731 45.483 -9.662 17.109 1.00 0.00 N ATOM 1843 CA PHE B 731 46.094 -9.482 15.788 1.00 0.00 C ATOM 1844 C PHE B 731 47.462 -8.780 15.886 1.00 0.00 C ATOM 1845 O PHE B 731 48.383 -9.136 15.150 1.00 0.00 O ATOM 1846 CB PHE B 731 45.118 -8.708 14.888 1.00 0.00 C ATOM 1847 CG PHE B 731 45.633 -8.393 13.494 1.00 0.00 C ATOM 1848 CD1 PHE B 731 46.345 -7.199 13.261 1.00 0.00 C ATOM 1849 CD2 PHE B 731 45.391 -9.275 12.422 1.00 0.00 C ATOM 1850 CE1 PHE B 731 46.820 -6.897 11.971 1.00 0.00 C ATOM 1851 CE2 PHE B 731 45.858 -8.969 11.131 1.00 0.00 C ATOM 1852 CZ PHE B 731 46.577 -7.782 10.906 1.00 0.00 C ATOM 0 H PHE B 731 44.552 -9.251 17.177 1.00 0.00 H new ATOM 0 HA PHE B 731 46.285 -10.460 15.345 1.00 0.00 H new ATOM 0 HB2 PHE B 731 44.198 -9.286 14.796 1.00 0.00 H new ATOM 0 HB3 PHE B 731 44.858 -7.772 15.382 1.00 0.00 H new ATOM 0 HD1 PHE B 731 46.527 -6.513 14.075 1.00 0.00 H new ATOM 0 HD2 PHE B 731 44.844 -10.191 12.593 1.00 0.00 H new ATOM 0 HE1 PHE B 731 47.372 -5.985 11.799 1.00 0.00 H new ATOM 0 HE2 PHE B 731 45.664 -9.646 10.312 1.00 0.00 H new ATOM 0 HZ PHE B 731 46.942 -7.550 9.916 1.00 0.00 H new ATOM 1862 N ASP B 732 47.635 -7.821 16.805 1.00 0.00 N ATOM 1863 CA ASP B 732 48.927 -7.160 17.035 1.00 0.00 C ATOM 1864 C ASP B 732 49.960 -8.154 17.599 1.00 0.00 C ATOM 1865 O ASP B 732 51.057 -8.262 17.058 1.00 0.00 O ATOM 1866 CB ASP B 732 48.751 -5.946 17.955 1.00 0.00 C ATOM 1867 CG ASP B 732 50.049 -5.130 18.054 1.00 0.00 C ATOM 1868 OD1 ASP B 732 50.389 -4.411 17.084 1.00 0.00 O ATOM 1869 OD2 ASP B 732 50.726 -5.197 19.107 1.00 0.00 O ATOM 0 H ASP B 732 46.886 -7.482 17.409 1.00 0.00 H new ATOM 0 HA ASP B 732 49.309 -6.802 16.079 1.00 0.00 H new ATOM 0 HB2 ASP B 732 47.949 -5.313 17.576 1.00 0.00 H new ATOM 0 HB3 ASP B 732 48.452 -6.280 18.949 1.00 0.00 H new ATOM 1874 N GLU B 733 49.611 -8.947 18.619 1.00 0.00 N ATOM 1875 CA GLU B 733 50.470 -10.019 19.162 1.00 0.00 C ATOM 1876 C GLU B 733 50.785 -11.088 18.106 1.00 0.00 C ATOM 1877 O GLU B 733 51.904 -11.605 18.085 1.00 0.00 O ATOM 1878 CB GLU B 733 49.817 -10.581 20.436 1.00 0.00 C ATOM 1879 CG GLU B 733 50.506 -11.791 21.083 1.00 0.00 C ATOM 1880 CD GLU B 733 51.995 -11.571 21.439 1.00 0.00 C ATOM 1881 OE1 GLU B 733 52.370 -10.476 21.915 1.00 0.00 O ATOM 1882 OE2 GLU B 733 52.807 -12.514 21.303 1.00 0.00 O ATOM 0 H GLU B 733 48.715 -8.866 19.100 1.00 0.00 H new ATOM 0 HA GLU B 733 51.442 -9.611 19.438 1.00 0.00 H new ATOM 0 HB2 GLU B 733 49.767 -9.781 21.175 1.00 0.00 H new ATOM 0 HB3 GLU B 733 48.790 -10.860 20.199 1.00 0.00 H new ATOM 0 HG2 GLU B 733 49.965 -12.058 21.991 1.00 0.00 H new ATOM 0 HG3 GLU B 733 50.430 -12.641 20.405 1.00 0.00 H new ATOM 1889 N VAL B 734 49.871 -11.364 17.169 1.00 0.00 N ATOM 1890 CA VAL B 734 50.161 -12.242 16.034 1.00 0.00 C ATOM 1891 C VAL B 734 51.185 -11.557 15.120 1.00 0.00 C ATOM 1892 O VAL B 734 52.207 -12.155 14.783 1.00 0.00 O ATOM 1893 CB VAL B 734 48.877 -12.628 15.278 1.00 0.00 C ATOM 1894 CG1 VAL B 734 49.205 -13.315 13.958 1.00 0.00 C ATOM 1895 CG2 VAL B 734 47.973 -13.577 16.078 1.00 0.00 C ATOM 0 H VAL B 734 48.922 -10.990 17.176 1.00 0.00 H new ATOM 0 HA VAL B 734 50.589 -13.175 16.400 1.00 0.00 H new ATOM 0 HB VAL B 734 48.348 -11.690 15.111 1.00 0.00 H new ATOM 0 HG11 VAL B 734 48.280 -13.577 13.444 1.00 0.00 H new ATOM 0 HG12 VAL B 734 49.789 -12.640 13.332 1.00 0.00 H new ATOM 0 HG13 VAL B 734 49.781 -14.220 14.152 1.00 0.00 H new ATOM 0 HG21 VAL B 734 47.084 -13.813 15.493 1.00 0.00 H new ATOM 0 HG22 VAL B 734 48.516 -14.496 16.300 1.00 0.00 H new ATOM 0 HG23 VAL B 734 47.676 -13.097 17.011 1.00 0.00 H new ATOM 1905 N SER B 735 50.958 -10.292 14.759 1.00 0.00 N ATOM 1906 CA SER B 735 51.851 -9.489 13.909 1.00 0.00 C ATOM 1907 C SER B 735 53.270 -9.357 14.473 1.00 0.00 C ATOM 1908 O SER B 735 54.227 -9.377 13.697 1.00 0.00 O ATOM 1909 CB SER B 735 51.268 -8.092 13.658 1.00 0.00 C ATOM 1910 OG SER B 735 50.009 -8.175 13.012 1.00 0.00 O ATOM 0 H SER B 735 50.127 -9.781 15.056 1.00 0.00 H new ATOM 0 HA SER B 735 51.925 -10.032 12.967 1.00 0.00 H new ATOM 0 HB2 SER B 735 51.160 -7.563 14.605 1.00 0.00 H new ATOM 0 HB3 SER B 735 51.957 -7.511 13.045 1.00 0.00 H new ATOM 0 HG SER B 735 49.337 -8.502 13.646 1.00 0.00 H new ATOM 1916 N ARG B 736 53.439 -9.273 15.804 1.00 0.00 N ATOM 1917 CA ARG B 736 54.762 -9.210 16.469 1.00 0.00 C ATOM 1918 C ARG B 736 55.635 -10.417 16.109 1.00 0.00 C ATOM 1919 O ARG B 736 56.838 -10.262 15.889 1.00 0.00 O ATOM 1920 CB ARG B 736 54.602 -9.145 18.000 1.00 0.00 C ATOM 1921 CG ARG B 736 54.036 -7.815 18.522 1.00 0.00 C ATOM 1922 CD ARG B 736 53.637 -7.948 20.000 1.00 0.00 C ATOM 1923 NE ARG B 736 52.529 -7.044 20.361 1.00 0.00 N ATOM 1924 CZ ARG B 736 51.914 -6.974 21.525 1.00 0.00 C ATOM 1925 NH1 ARG B 736 52.115 -7.825 22.485 1.00 0.00 N ATOM 1926 NH2 ARG B 736 51.054 -6.022 21.724 1.00 0.00 N ATOM 0 H ARG B 736 52.657 -9.246 16.459 1.00 0.00 H new ATOM 0 HA ARG B 736 55.253 -8.304 16.113 1.00 0.00 H new ATOM 0 HB2 ARG B 736 53.947 -9.955 18.320 1.00 0.00 H new ATOM 0 HB3 ARG B 736 55.573 -9.319 18.463 1.00 0.00 H new ATOM 0 HG2 ARG B 736 54.780 -7.026 18.409 1.00 0.00 H new ATOM 0 HG3 ARG B 736 53.169 -7.523 17.929 1.00 0.00 H new ATOM 0 HD2 ARG B 736 53.345 -8.978 20.204 1.00 0.00 H new ATOM 0 HD3 ARG B 736 54.501 -7.731 20.629 1.00 0.00 H new ATOM 0 HE ARG B 736 52.205 -6.406 19.634 1.00 0.00 H new ATOM 0 HH11 ARG B 736 52.775 -8.592 22.357 1.00 0.00 H new ATOM 0 HH12 ARG B 736 51.613 -7.726 23.367 1.00 0.00 H new ATOM 0 HH21 ARG B 736 50.864 -5.344 20.986 1.00 0.00 H new ATOM 0 HH22 ARG B 736 50.568 -5.952 22.618 1.00 0.00 H new ATOM 1940 N ILE B 737 55.031 -11.608 16.042 1.00 0.00 N ATOM 1941 CA ILE B 737 55.724 -12.868 15.707 1.00 0.00 C ATOM 1942 C ILE B 737 55.787 -13.107 14.190 1.00 0.00 C ATOM 1943 O ILE B 737 56.843 -13.464 13.666 1.00 0.00 O ATOM 1944 CB ILE B 737 55.044 -14.068 16.407 1.00 0.00 C ATOM 1945 CG1 ILE B 737 54.907 -13.813 17.925 1.00 0.00 C ATOM 1946 CG2 ILE B 737 55.836 -15.366 16.139 1.00 0.00 C ATOM 1947 CD1 ILE B 737 54.333 -15.003 18.695 1.00 0.00 C ATOM 0 H ILE B 737 54.034 -11.731 16.220 1.00 0.00 H new ATOM 0 HA ILE B 737 56.748 -12.776 16.070 1.00 0.00 H new ATOM 0 HB ILE B 737 54.042 -14.184 15.994 1.00 0.00 H new ATOM 0 HG12 ILE B 737 55.887 -13.565 18.333 1.00 0.00 H new ATOM 0 HG13 ILE B 737 54.267 -12.945 18.083 1.00 0.00 H new ATOM 0 HG21 ILE B 737 55.345 -16.201 16.638 1.00 0.00 H new ATOM 0 HG22 ILE B 737 55.873 -15.555 15.066 1.00 0.00 H new ATOM 0 HG23 ILE B 737 56.850 -15.259 16.523 1.00 0.00 H new ATOM 0 HD11 ILE B 737 54.265 -14.753 19.754 1.00 0.00 H new ATOM 0 HD12 ILE B 737 53.339 -15.238 18.313 1.00 0.00 H new ATOM 0 HD13 ILE B 737 54.985 -15.867 18.568 1.00 0.00 H new ATOM 1959 N VAL B 738 54.671 -12.922 13.475 1.00 0.00 N ATOM 1960 CA VAL B 738 54.572 -13.133 12.015 1.00 0.00 C ATOM 1961 C VAL B 738 55.464 -12.161 11.235 1.00 0.00 C ATOM 1962 O VAL B 738 56.005 -12.525 10.193 1.00 0.00 O ATOM 1963 CB VAL B 738 53.099 -13.055 11.555 1.00 0.00 C ATOM 1964 CG1 VAL B 738 52.915 -13.177 10.037 1.00 0.00 C ATOM 1965 CG2 VAL B 738 52.302 -14.203 12.190 1.00 0.00 C ATOM 0 H VAL B 738 53.794 -12.616 13.896 1.00 0.00 H new ATOM 0 HA VAL B 738 54.941 -14.135 11.796 1.00 0.00 H new ATOM 0 HB VAL B 738 52.747 -12.072 11.867 1.00 0.00 H new ATOM 0 HG11 VAL B 738 51.855 -13.113 9.793 1.00 0.00 H new ATOM 0 HG12 VAL B 738 53.451 -12.369 9.539 1.00 0.00 H new ATOM 0 HG13 VAL B 738 53.308 -14.136 9.699 1.00 0.00 H new ATOM 0 HG21 VAL B 738 51.263 -14.148 11.865 1.00 0.00 H new ATOM 0 HG22 VAL B 738 52.729 -15.157 11.880 1.00 0.00 H new ATOM 0 HG23 VAL B 738 52.348 -14.121 13.276 1.00 0.00 H new ATOM 1975 N GLY B 739 55.647 -10.940 11.741 1.00 0.00 N ATOM 1976 CA GLY B 739 56.509 -9.889 11.170 1.00 0.00 C ATOM 1977 C GLY B 739 56.369 -9.651 9.657 1.00 0.00 C ATOM 1978 O GLY B 739 57.345 -9.290 8.997 1.00 0.00 O ATOM 0 H GLY B 739 55.181 -10.638 12.597 1.00 0.00 H new ATOM 0 HA2 GLY B 739 56.297 -8.953 11.686 1.00 0.00 H new ATOM 0 HA3 GLY B 739 57.547 -10.143 11.383 1.00 0.00 H new ATOM 1982 N SER B 740 55.169 -9.870 9.104 1.00 0.00 N ATOM 1983 CA SER B 740 54.827 -9.734 7.676 1.00 0.00 C ATOM 1984 C SER B 740 55.741 -10.509 6.697 1.00 0.00 C ATOM 1985 O SER B 740 55.928 -10.069 5.562 1.00 0.00 O ATOM 1986 CB SER B 740 54.698 -8.247 7.294 1.00 0.00 C ATOM 1987 OG SER B 740 53.760 -7.590 8.136 1.00 0.00 O ATOM 0 H SER B 740 54.369 -10.161 9.665 1.00 0.00 H new ATOM 0 HA SER B 740 53.859 -10.222 7.561 1.00 0.00 H new ATOM 0 HB2 SER B 740 55.670 -7.760 7.375 1.00 0.00 H new ATOM 0 HB3 SER B 740 54.384 -8.160 6.254 1.00 0.00 H new ATOM 0 HG SER B 740 53.694 -6.647 7.878 1.00 0.00 H new ATOM 1993 N VAL B 741 56.306 -11.654 7.122 1.00 0.00 N ATOM 1994 CA VAL B 741 57.237 -12.545 6.375 1.00 0.00 C ATOM 1995 C VAL B 741 57.099 -12.539 4.840 1.00 0.00 C ATOM 1996 O VAL B 741 58.026 -12.138 4.136 1.00 0.00 O ATOM 1997 CB VAL B 741 57.187 -14.001 6.908 1.00 0.00 C ATOM 1998 CG1 VAL B 741 58.149 -14.177 8.085 1.00 0.00 C ATOM 1999 CG2 VAL B 741 55.783 -14.487 7.326 1.00 0.00 C ATOM 0 H VAL B 741 56.117 -12.013 8.058 1.00 0.00 H new ATOM 0 HA VAL B 741 58.214 -12.105 6.572 1.00 0.00 H new ATOM 0 HB VAL B 741 57.489 -14.619 6.062 1.00 0.00 H new ATOM 0 HG11 VAL B 741 58.099 -15.205 8.445 1.00 0.00 H new ATOM 0 HG12 VAL B 741 59.166 -13.955 7.760 1.00 0.00 H new ATOM 0 HG13 VAL B 741 57.868 -13.497 8.889 1.00 0.00 H new ATOM 0 HG21 VAL B 741 55.846 -15.514 7.685 1.00 0.00 H new ATOM 0 HG22 VAL B 741 55.398 -13.848 8.121 1.00 0.00 H new ATOM 0 HG23 VAL B 741 55.112 -14.443 6.468 1.00 0.00 H new ATOM 2009 N GLU B 742 55.942 -12.956 4.323 1.00 0.00 N ATOM 2010 CA GLU B 742 55.569 -12.992 2.890 1.00 0.00 C ATOM 2011 C GLU B 742 54.058 -12.690 2.741 1.00 0.00 C ATOM 2012 O GLU B 742 53.415 -13.028 1.749 1.00 0.00 O ATOM 2013 CB GLU B 742 55.880 -14.389 2.304 1.00 0.00 C ATOM 2014 CG GLU B 742 57.357 -14.822 2.312 1.00 0.00 C ATOM 2015 CD GLU B 742 58.287 -13.962 1.428 1.00 0.00 C ATOM 2016 OE1 GLU B 742 57.812 -13.202 0.549 1.00 0.00 O ATOM 2017 OE2 GLU B 742 59.528 -14.099 1.563 1.00 0.00 O ATOM 0 H GLU B 742 55.190 -13.300 4.920 1.00 0.00 H new ATOM 0 HA GLU B 742 56.144 -12.240 2.349 1.00 0.00 H new ATOM 0 HB2 GLU B 742 55.304 -15.129 2.860 1.00 0.00 H new ATOM 0 HB3 GLU B 742 55.522 -14.415 1.275 1.00 0.00 H new ATOM 0 HG2 GLU B 742 57.724 -14.793 3.338 1.00 0.00 H new ATOM 0 HG3 GLU B 742 57.419 -15.858 1.980 1.00 0.00 H new ATOM 2024 N PHE B 743 53.482 -12.106 3.795 1.00 0.00 N ATOM 2025 CA PHE B 743 52.064 -11.878 4.050 1.00 0.00 C ATOM 2026 C PHE B 743 51.162 -11.442 2.885 1.00 0.00 C ATOM 2027 O PHE B 743 50.126 -12.064 2.647 1.00 0.00 O ATOM 2028 CB PHE B 743 51.973 -10.948 5.260 1.00 0.00 C ATOM 2029 CG PHE B 743 50.713 -11.097 6.079 1.00 0.00 C ATOM 2030 CD1 PHE B 743 50.350 -12.359 6.591 1.00 0.00 C ATOM 2031 CD2 PHE B 743 49.947 -9.961 6.393 1.00 0.00 C ATOM 2032 CE1 PHE B 743 49.244 -12.467 7.443 1.00 0.00 C ATOM 2033 CE2 PHE B 743 48.820 -10.084 7.220 1.00 0.00 C ATOM 2034 CZ PHE B 743 48.469 -11.336 7.745 1.00 0.00 C ATOM 0 H PHE B 743 54.053 -11.749 4.561 1.00 0.00 H new ATOM 0 HA PHE B 743 51.630 -12.860 4.239 1.00 0.00 H new ATOM 0 HB2 PHE B 743 52.833 -11.129 5.905 1.00 0.00 H new ATOM 0 HB3 PHE B 743 52.045 -9.917 4.914 1.00 0.00 H new ATOM 0 HD1 PHE B 743 50.921 -13.237 6.328 1.00 0.00 H new ATOM 0 HD2 PHE B 743 50.225 -8.995 5.998 1.00 0.00 H new ATOM 0 HE1 PHE B 743 48.986 -13.425 7.870 1.00 0.00 H new ATOM 0 HE2 PHE B 743 48.223 -9.214 7.452 1.00 0.00 H new ATOM 0 HZ PHE B 743 47.602 -11.430 8.382 1.00 0.00 H new ATOM 2044 N ASP B 744 51.543 -10.417 2.121 1.00 0.00 N ATOM 2045 CA ASP B 744 50.765 -9.948 0.960 1.00 0.00 C ATOM 2046 C ASP B 744 50.801 -10.913 -0.253 1.00 0.00 C ATOM 2047 O ASP B 744 50.133 -10.669 -1.260 1.00 0.00 O ATOM 2048 CB ASP B 744 51.183 -8.514 0.602 1.00 0.00 C ATOM 2049 CG ASP B 744 52.627 -8.426 0.079 1.00 0.00 C ATOM 2050 OD1 ASP B 744 53.570 -8.515 0.900 1.00 0.00 O ATOM 2051 OD2 ASP B 744 52.822 -8.256 -1.148 1.00 0.00 O ATOM 0 H ASP B 744 52.398 -9.885 2.285 1.00 0.00 H new ATOM 0 HA ASP B 744 49.715 -9.939 1.251 1.00 0.00 H new ATOM 0 HB2 ASP B 744 50.503 -8.120 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP B 744 51.081 -7.880 1.483 1.00 0.00 H new ATOM 2056 N SER B 745 51.537 -12.027 -0.141 1.00 0.00 N ATOM 2057 CA SER B 745 51.671 -13.102 -1.138 1.00 0.00 C ATOM 2058 C SER B 745 51.174 -14.466 -0.634 1.00 0.00 C ATOM 2059 O SER B 745 51.249 -15.440 -1.386 1.00 0.00 O ATOM 2060 CB SER B 745 53.124 -13.231 -1.617 1.00 0.00 C ATOM 2061 OG SER B 745 53.539 -12.067 -2.316 1.00 0.00 O ATOM 0 H SER B 745 52.088 -12.215 0.697 1.00 0.00 H new ATOM 0 HA SER B 745 51.031 -12.812 -1.971 1.00 0.00 H new ATOM 0 HB2 SER B 745 53.778 -13.397 -0.761 1.00 0.00 H new ATOM 0 HB3 SER B 745 53.220 -14.102 -2.266 1.00 0.00 H new ATOM 0 HG SER B 745 54.468 -12.175 -2.608 1.00 0.00 H new ATOM 2067 N MET B 746 50.625 -14.581 0.588 1.00 0.00 N ATOM 2068 CA MET B 746 50.074 -15.854 1.102 1.00 0.00 C ATOM 2069 C MET B 746 49.023 -16.458 0.152 1.00 0.00 C ATOM 2070 O MET B 746 48.956 -17.676 0.012 1.00 0.00 O ATOM 2071 CB MET B 746 49.488 -15.701 2.510 1.00 0.00 C ATOM 2072 CG MET B 746 50.485 -15.340 3.627 1.00 0.00 C ATOM 2073 SD MET B 746 52.276 -15.557 3.399 1.00 0.00 S ATOM 2074 CE MET B 746 52.409 -17.333 3.120 1.00 0.00 C ATOM 0 H MET B 746 50.549 -13.804 1.244 1.00 0.00 H new ATOM 0 HA MET B 746 50.915 -16.545 1.158 1.00 0.00 H new ATOM 0 HB2 MET B 746 48.716 -14.932 2.478 1.00 0.00 H new ATOM 0 HB3 MET B 746 48.996 -16.635 2.779 1.00 0.00 H new ATOM 0 HG2 MET B 746 50.321 -14.291 3.873 1.00 0.00 H new ATOM 0 HG3 MET B 746 50.203 -15.921 4.505 1.00 0.00 H new ATOM 0 HE1 MET B 746 52.951 -17.792 3.947 1.00 0.00 H new ATOM 0 HE2 MET B 746 51.411 -17.767 3.055 1.00 0.00 H new ATOM 0 HE3 MET B 746 52.945 -17.516 2.189 1.00 0.00 H new