USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1141 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 134 LYS NZ :NH3+ -129:sc= 0.26 (180deg=0) USER MOD Set 1.2: A 137 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 117 SER OG : rot 84:sc= 0.54 USER MOD Set 2.2: A 120 SER OG : rot -155:sc= -0.618 USER MOD Set 2.3: A 130 HIS :FLIP no HD1:sc= -9.95! C(o=-14!,f=-10!) USER MOD Set 3.1: A 6 SER OG : rot 131:sc= -4.84! USER MOD Set 3.2: A 8 HIS : no HD1:sc= -5.79! C(o=-11!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.116 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -146:sc= -0.167 (180deg=-1.63) USER MOD Single : A 10 LYS NZ :NH3+ -146:sc= -2.41! (180deg=-2.99) USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= -0.134 (180deg=-0.814) USER MOD Single : A 13 GLN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00275 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0685) USER MOD Single : A 34 THR OG1 : rot -61:sc= 1.03 USER MOD Single : A 35 GLN : amide:sc= 0.406 K(o=0.41,f=-0.96) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 45 THR OG1 : rot 61:sc= 0.774 USER MOD Single : A 46 ASN : amide:sc= -0.0163 X(o=-0.016,f=-0.47) USER MOD Single : A 50 LYS NZ :NH3+ 146:sc= -0.252 (180deg=-1.07!) USER MOD Single : A 52 MET CE :methyl -167:sc= -0.0113 (180deg=-0.205) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= -1.26 (180deg=-1.91) USER MOD Single : A 64 LYS NZ :NH3+ -113:sc= -0.0101 (180deg=-0.084) USER MOD Single : A 65 ASN : amide:sc= -0.0615 X(o=-0.061,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -1.42 F(o=-5.2!,f=-1.4) USER MOD Single : A 69 ASN : amide:sc= -6.11! C(o=-6.1!,f=-12!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-4.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0679 USER MOD Single : A 91 ASN : amide:sc= -0.644 K(o=-0.64,f=-1.4) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -56:sc= 0.96 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.749 F(o=-3.9!,f=-0.75) USER MOD Single : A 99 SER OG : rot -150:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.141 F(o=-2.7!,f=-0.14) USER MOD Single : A 109 THR OG1 : rot 75:sc= 0.18 USER MOD Single : A 113 ASN : amide:sc= -0.0456 X(o=-0.046,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -179:sc= 0 (180deg=-0.00117) USER MOD Single : A 124 THR OG1 : rot 47:sc= -1.83! USER MOD Single : A 125 THR OG1 : rot 116:sc= -0.513 USER MOD Single : A 126 ASN : amide:sc= -3! C(o=-3!,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.354 9.139 10.643 1.00 0.00 N ATOM 2 CA GLY A 1 -14.234 10.199 11.121 1.00 0.00 C ATOM 3 C GLY A 1 -15.615 10.088 10.486 1.00 0.00 C ATOM 4 O GLY A 1 -15.958 9.063 9.897 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.955 8.626 11.455 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.896 8.479 10.049 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.582 9.555 10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.323 10.142 12.206 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.799 11.171 10.888 1.00 0.00 H new ATOM 8 N ALA A 2 -16.406 11.149 10.610 1.00 0.00 N ATOM 9 CA ALA A 2 -17.749 11.160 10.044 1.00 0.00 C ATOM 10 C ALA A 2 -17.720 10.710 8.587 1.00 0.00 C ATOM 11 O ALA A 2 -16.653 10.479 8.020 1.00 0.00 O ATOM 12 CB ALA A 2 -18.341 12.568 10.133 1.00 0.00 C ATOM 0 H ALA A 2 -16.142 12.007 11.094 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.369 10.468 10.614 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.345 12.568 9.708 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.389 12.877 11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.712 13.263 9.577 1.00 0.00 H new ATOM 18 N MET A 3 -18.901 10.589 7.986 1.00 0.00 N ATOM 19 CA MET A 3 -19.000 10.167 6.593 1.00 0.00 C ATOM 20 C MET A 3 -18.116 11.040 5.707 1.00 0.00 C ATOM 21 O MET A 3 -18.478 12.166 5.367 1.00 0.00 O ATOM 22 CB MET A 3 -20.452 10.263 6.123 1.00 0.00 C ATOM 23 CG MET A 3 -20.552 9.784 4.674 1.00 0.00 C ATOM 24 SD MET A 3 -22.284 9.440 4.272 1.00 0.00 S ATOM 25 CE MET A 3 -22.262 7.674 4.672 1.00 0.00 C ATOM 0 H MET A 3 -19.796 10.776 8.438 1.00 0.00 H new ATOM 0 HA MET A 3 -18.662 9.133 6.518 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.093 9.657 6.763 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.804 11.292 6.202 1.00 0.00 H new ATOM 0 HG2 MET A 3 -20.155 10.543 4.000 1.00 0.00 H new ATOM 0 HG3 MET A 3 -19.949 8.887 4.534 1.00 0.00 H new ATOM 0 HE1 MET A 3 -23.250 7.248 4.494 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.530 7.168 4.043 1.00 0.00 H new ATOM 0 HE3 MET A 3 -21.993 7.542 5.720 1.00 0.00 H new ATOM 35 N GLU A 4 -16.950 10.516 5.342 1.00 0.00 N ATOM 36 CA GLU A 4 -16.016 11.258 4.502 1.00 0.00 C ATOM 37 C GLU A 4 -15.427 10.344 3.426 1.00 0.00 C ATOM 38 O GLU A 4 -15.942 9.253 3.181 1.00 0.00 O ATOM 39 CB GLU A 4 -14.897 11.835 5.380 1.00 0.00 C ATOM 40 CG GLU A 4 -15.194 13.301 5.697 1.00 0.00 C ATOM 41 CD GLU A 4 -14.364 13.748 6.896 1.00 0.00 C ATOM 42 OE1 GLU A 4 -14.806 13.528 8.011 1.00 0.00 O ATOM 43 OE2 GLU A 4 -13.298 14.302 6.680 1.00 0.00 O ATOM 0 H GLU A 4 -16.631 9.586 5.613 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.545 12.072 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.815 11.263 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.939 11.751 4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.965 13.923 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.255 13.429 5.910 1.00 0.00 H new ATOM 50 N LYS A 5 -14.347 10.786 2.796 1.00 0.00 N ATOM 51 CA LYS A 5 -13.696 10.001 1.765 1.00 0.00 C ATOM 52 C LYS A 5 -13.087 8.732 2.359 1.00 0.00 C ATOM 53 O LYS A 5 -12.458 8.759 3.423 1.00 0.00 O ATOM 54 CB LYS A 5 -12.600 10.831 1.097 1.00 0.00 C ATOM 55 CG LYS A 5 -13.217 11.742 0.030 1.00 0.00 C ATOM 56 CD LYS A 5 -13.337 10.982 -1.294 1.00 0.00 C ATOM 57 CE LYS A 5 -14.563 11.483 -2.060 1.00 0.00 C ATOM 58 NZ LYS A 5 -15.801 11.085 -1.333 1.00 0.00 N ATOM 0 H LYS A 5 -13.905 11.686 2.984 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.442 9.717 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.079 11.431 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.859 10.173 0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.200 12.083 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.599 12.630 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.437 11.127 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.425 9.912 -1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.522 12.567 -2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.571 11.067 -3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.556 10.882 -2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.612 10.235 -0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.101 11.860 -0.707 1.00 0.00 H new ATOM 72 N SER A 6 -13.276 7.625 1.658 1.00 0.00 N ATOM 73 CA SER A 6 -12.745 6.343 2.103 1.00 0.00 C ATOM 74 C SER A 6 -11.666 5.858 1.154 1.00 0.00 C ATOM 75 O SER A 6 -11.444 6.445 0.095 1.00 0.00 O ATOM 76 CB SER A 6 -13.851 5.296 2.142 1.00 0.00 C ATOM 77 OG SER A 6 -13.405 4.135 1.458 1.00 0.00 O ATOM 0 H SER A 6 -13.792 7.587 0.779 1.00 0.00 H new ATOM 0 HA SER A 6 -12.328 6.483 3.100 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.104 5.052 3.174 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.756 5.685 1.675 1.00 0.00 H new ATOM 0 HG SER A 6 -13.571 3.344 2.013 1.00 0.00 H new ATOM 83 N LEU A 7 -11.000 4.778 1.537 1.00 0.00 N ATOM 84 CA LEU A 7 -9.951 4.221 0.698 1.00 0.00 C ATOM 85 C LEU A 7 -10.509 3.775 -0.657 1.00 0.00 C ATOM 86 O LEU A 7 -10.121 4.309 -1.694 1.00 0.00 O ATOM 87 CB LEU A 7 -9.304 3.016 1.398 1.00 0.00 C ATOM 88 CG LEU A 7 -8.371 3.474 2.530 1.00 0.00 C ATOM 89 CD1 LEU A 7 -8.986 3.108 3.879 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.020 2.775 2.381 1.00 0.00 C ATOM 0 H LEU A 7 -11.164 4.277 2.410 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.205 4.998 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.080 2.365 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.741 2.428 0.673 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.234 4.554 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.324 3.433 4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.952 3.601 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.122 2.028 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.354 3.096 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.161 1.696 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.581 3.034 1.418 1.00 0.00 H new ATOM 102 N HIS A 8 -11.420 2.801 -0.646 1.00 0.00 N ATOM 103 CA HIS A 8 -12.007 2.304 -1.895 1.00 0.00 C ATOM 104 C HIS A 8 -12.537 3.458 -2.736 1.00 0.00 C ATOM 105 O HIS A 8 -12.328 3.505 -3.947 1.00 0.00 O ATOM 106 CB HIS A 8 -13.140 1.326 -1.594 1.00 0.00 C ATOM 107 CG HIS A 8 -13.818 1.695 -0.301 1.00 0.00 C ATOM 108 ND1 HIS A 8 -15.056 2.319 -0.269 1.00 0.00 N ATOM 109 CD2 HIS A 8 -13.457 1.514 1.013 1.00 0.00 C ATOM 110 CE1 HIS A 8 -15.394 2.484 1.023 1.00 0.00 C ATOM 111 NE2 HIS A 8 -14.454 2.016 1.846 1.00 0.00 N ATOM 0 H HIS A 8 -11.765 2.345 0.199 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.227 1.789 -2.456 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.864 1.336 -2.408 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.747 0.311 -1.530 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -12.540 1.053 1.348 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.315 2.940 1.354 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -14.463 2.024 2.866 1.00 0.00 H new ATOM 120 N GLU A 9 -13.218 4.393 -2.085 1.00 0.00 N ATOM 121 CA GLU A 9 -13.768 5.546 -2.784 1.00 0.00 C ATOM 122 C GLU A 9 -12.684 6.240 -3.602 1.00 0.00 C ATOM 123 O GLU A 9 -12.856 6.500 -4.795 1.00 0.00 O ATOM 124 CB GLU A 9 -14.360 6.530 -1.773 1.00 0.00 C ATOM 125 CG GLU A 9 -15.345 7.461 -2.479 1.00 0.00 C ATOM 126 CD GLU A 9 -16.695 6.770 -2.633 1.00 0.00 C ATOM 127 OE1 GLU A 9 -16.946 6.232 -3.698 1.00 0.00 O ATOM 128 OE2 GLU A 9 -17.460 6.788 -1.682 1.00 0.00 O ATOM 0 H GLU A 9 -13.401 4.376 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.552 5.204 -3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.866 5.987 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.564 7.112 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.461 8.382 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.956 7.741 -3.458 1.00 0.00 H new ATOM 135 N LYS A 10 -11.562 6.535 -2.956 1.00 0.00 N ATOM 136 CA LYS A 10 -10.461 7.195 -3.641 1.00 0.00 C ATOM 137 C LYS A 10 -10.011 6.374 -4.842 1.00 0.00 C ATOM 138 O LYS A 10 -9.966 6.877 -5.964 1.00 0.00 O ATOM 139 CB LYS A 10 -9.282 7.385 -2.686 1.00 0.00 C ATOM 140 CG LYS A 10 -8.543 8.682 -3.037 1.00 0.00 C ATOM 141 CD LYS A 10 -9.353 9.900 -2.570 1.00 0.00 C ATOM 142 CE LYS A 10 -8.581 10.628 -1.468 1.00 0.00 C ATOM 143 NZ LYS A 10 -8.208 9.660 -0.399 1.00 0.00 N ATOM 0 H LYS A 10 -11.393 6.330 -1.971 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.809 8.169 -3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.637 7.424 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.602 6.536 -2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.560 8.688 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.380 8.736 -4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.535 10.573 -3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.327 9.583 -2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.686 11.091 -1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.191 11.429 -1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.229 10.138 0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.884 8.869 -0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.250 9.296 -0.579 1.00 0.00 H new ATOM 157 N LEU A 11 -9.677 5.109 -4.604 1.00 0.00 N ATOM 158 CA LEU A 11 -9.228 4.233 -5.685 1.00 0.00 C ATOM 159 C LEU A 11 -10.249 4.216 -6.816 1.00 0.00 C ATOM 160 O LEU A 11 -9.889 4.116 -7.989 1.00 0.00 O ATOM 161 CB LEU A 11 -9.019 2.811 -5.160 1.00 0.00 C ATOM 162 CG LEU A 11 -8.135 2.854 -3.913 1.00 0.00 C ATOM 163 CD1 LEU A 11 -7.924 1.438 -3.377 1.00 0.00 C ATOM 164 CD2 LEU A 11 -6.780 3.473 -4.265 1.00 0.00 C ATOM 0 H LEU A 11 -9.707 4.670 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.282 4.617 -6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.980 2.355 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.554 2.193 -5.928 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.624 3.459 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.293 1.475 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.888 0.999 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.440 0.828 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.151 3.503 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.294 2.871 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.929 4.486 -4.638 1.00 0.00 H new ATOM 176 N LYS A 12 -11.524 4.314 -6.455 1.00 0.00 N ATOM 177 CA LYS A 12 -12.588 4.309 -7.449 1.00 0.00 C ATOM 178 C LYS A 12 -12.683 5.665 -8.140 1.00 0.00 C ATOM 179 O LYS A 12 -13.189 5.767 -9.258 1.00 0.00 O ATOM 180 CB LYS A 12 -13.922 3.964 -6.784 1.00 0.00 C ATOM 181 CG LYS A 12 -13.966 2.484 -6.405 1.00 0.00 C ATOM 182 CD LYS A 12 -14.928 2.285 -5.233 1.00 0.00 C ATOM 183 CE LYS A 12 -15.087 0.790 -4.957 1.00 0.00 C ATOM 184 NZ LYS A 12 -15.703 0.130 -6.143 1.00 0.00 N ATOM 0 H LYS A 12 -11.843 4.397 -5.490 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.358 3.554 -8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.060 4.577 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.743 4.196 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.289 1.889 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.969 2.138 -6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.548 2.792 -4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.897 2.729 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.116 0.343 -4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.711 0.636 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.178 -0.746 -5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.399 0.771 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.963 -0.096 -6.838 1.00 0.00 H new ATOM 198 N GLN A 13 -12.184 6.699 -7.476 1.00 0.00 N ATOM 199 CA GLN A 13 -12.210 8.039 -8.049 1.00 0.00 C ATOM 200 C GLN A 13 -10.863 8.377 -8.682 1.00 0.00 C ATOM 201 O GLN A 13 -10.745 9.345 -9.435 1.00 0.00 O ATOM 202 CB GLN A 13 -12.540 9.064 -6.967 1.00 0.00 C ATOM 203 CG GLN A 13 -13.749 9.893 -7.400 1.00 0.00 C ATOM 204 CD GLN A 13 -14.063 10.945 -6.345 1.00 0.00 C ATOM 205 OE1 GLN A 13 -15.227 11.158 -6.005 1.00 0.00 O ATOM 206 NE2 GLN A 13 -13.087 11.622 -5.803 1.00 0.00 N ATOM 0 H GLN A 13 -11.761 6.638 -6.550 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.979 8.069 -8.821 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.751 8.558 -6.025 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.683 9.715 -6.794 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.547 10.374 -8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.612 9.244 -7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.124 11.444 -6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.288 12.329 -5.096 1.00 0.00 H new ATOM 215 N ASP A 14 -9.849 7.573 -8.369 1.00 0.00 N ATOM 216 CA ASP A 14 -8.509 7.792 -8.908 1.00 0.00 C ATOM 217 C ASP A 14 -8.166 6.730 -9.949 1.00 0.00 C ATOM 218 O ASP A 14 -7.962 5.564 -9.618 1.00 0.00 O ATOM 219 CB ASP A 14 -7.479 7.749 -7.780 1.00 0.00 C ATOM 220 CG ASP A 14 -7.141 9.165 -7.326 1.00 0.00 C ATOM 221 OD1 ASP A 14 -6.544 9.890 -8.103 1.00 0.00 O ATOM 222 OD2 ASP A 14 -7.483 9.504 -6.204 1.00 0.00 O ATOM 0 H ASP A 14 -9.929 6.768 -7.748 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.488 8.772 -9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.870 7.173 -6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.576 7.242 -8.121 1.00 0.00 H new ATOM 227 N LYS A 15 -8.098 7.144 -11.211 1.00 0.00 N ATOM 228 CA LYS A 15 -7.776 6.220 -12.293 1.00 0.00 C ATOM 229 C LYS A 15 -6.344 5.710 -12.157 1.00 0.00 C ATOM 230 O LYS A 15 -6.033 4.590 -12.560 1.00 0.00 O ATOM 231 CB LYS A 15 -7.944 6.922 -13.642 1.00 0.00 C ATOM 232 CG LYS A 15 -9.400 6.799 -14.101 1.00 0.00 C ATOM 233 CD LYS A 15 -9.585 7.528 -15.435 1.00 0.00 C ATOM 234 CE LYS A 15 -11.012 8.071 -15.525 1.00 0.00 C ATOM 235 NZ LYS A 15 -11.104 9.355 -14.773 1.00 0.00 N ATOM 0 H LYS A 15 -8.260 8.106 -11.508 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.457 5.371 -12.236 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.666 7.972 -13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.279 6.476 -14.382 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.670 5.748 -14.209 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.065 7.223 -13.349 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.868 8.345 -15.518 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.390 6.847 -16.264 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.288 8.228 -16.568 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.715 7.346 -15.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.074 9.724 -14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.858 9.192 -13.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.444 10.046 -15.184 1.00 0.00 H new ATOM 249 N ARG A 16 -5.477 6.541 -11.587 1.00 0.00 N ATOM 250 CA ARG A 16 -4.079 6.166 -11.402 1.00 0.00 C ATOM 251 C ARG A 16 -3.976 4.834 -10.666 1.00 0.00 C ATOM 252 O ARG A 16 -2.990 4.110 -10.811 1.00 0.00 O ATOM 253 CB ARG A 16 -3.345 7.252 -10.610 1.00 0.00 C ATOM 254 CG ARG A 16 -4.197 7.691 -9.417 1.00 0.00 C ATOM 255 CD ARG A 16 -3.466 8.782 -8.636 1.00 0.00 C ATOM 256 NE ARG A 16 -4.254 9.182 -7.475 1.00 0.00 N ATOM 257 CZ ARG A 16 -3.841 10.149 -6.664 1.00 0.00 C ATOM 258 NH1 ARG A 16 -2.708 10.754 -6.895 1.00 0.00 N ATOM 259 NH2 ARG A 16 -4.570 10.496 -5.640 1.00 0.00 N ATOM 0 H ARG A 16 -5.715 7.473 -11.247 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.617 6.062 -12.384 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.384 6.874 -10.262 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.137 8.107 -11.254 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.161 8.062 -9.764 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.398 6.839 -8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.490 8.418 -8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.289 9.644 -9.279 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.138 8.710 -7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.140 10.484 -7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.390 11.497 -6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.457 10.025 -5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.253 11.239 -5.017 1.00 0.00 H new ATOM 273 N PHE A 17 -5.001 4.519 -9.879 1.00 0.00 N ATOM 274 CA PHE A 17 -5.023 3.272 -9.122 1.00 0.00 C ATOM 275 C PHE A 17 -6.084 2.325 -9.668 1.00 0.00 C ATOM 276 O PHE A 17 -6.546 1.425 -8.970 1.00 0.00 O ATOM 277 CB PHE A 17 -5.305 3.559 -7.644 1.00 0.00 C ATOM 278 CG PHE A 17 -4.452 4.718 -7.155 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.072 4.759 -7.419 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.050 5.759 -6.430 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.302 5.834 -6.961 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.275 6.832 -5.973 1.00 0.00 C ATOM 283 CZ PHE A 17 -2.902 6.870 -6.239 1.00 0.00 C ATOM 0 H PHE A 17 -5.824 5.108 -9.749 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.047 2.798 -9.221 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.361 3.794 -7.508 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.097 2.670 -7.049 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.605 3.960 -7.976 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.110 5.733 -6.224 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.242 5.863 -7.166 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.738 7.632 -5.414 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.306 7.699 -5.887 1.00 0.00 H new ATOM 293 N SER A 18 -6.457 2.522 -10.924 1.00 0.00 N ATOM 294 CA SER A 18 -7.455 1.672 -11.557 1.00 0.00 C ATOM 295 C SER A 18 -7.012 0.213 -11.505 1.00 0.00 C ATOM 296 O SER A 18 -7.834 -0.702 -11.374 1.00 0.00 O ATOM 297 CB SER A 18 -7.648 2.103 -13.011 1.00 0.00 C ATOM 298 OG SER A 18 -8.602 1.253 -13.633 1.00 0.00 O ATOM 0 H SER A 18 -6.086 3.259 -11.523 1.00 0.00 H new ATOM 0 HA SER A 18 -8.399 1.773 -11.021 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.985 3.139 -13.053 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.699 2.055 -13.545 1.00 0.00 H new ATOM 0 HG SER A 18 -8.728 1.529 -14.565 1.00 0.00 H new ATOM 304 N THR A 19 -5.707 -0.001 -11.605 1.00 0.00 N ATOM 305 CA THR A 19 -5.169 -1.352 -11.565 1.00 0.00 C ATOM 306 C THR A 19 -5.601 -2.065 -10.286 1.00 0.00 C ATOM 307 O THR A 19 -5.992 -3.230 -10.319 1.00 0.00 O ATOM 308 CB THR A 19 -3.642 -1.315 -11.637 1.00 0.00 C ATOM 309 OG1 THR A 19 -3.237 -0.475 -12.707 1.00 0.00 O ATOM 310 CG2 THR A 19 -3.110 -2.730 -11.865 1.00 0.00 C ATOM 0 H THR A 19 -5.009 0.735 -11.713 1.00 0.00 H new ATOM 0 HA THR A 19 -5.558 -1.899 -12.424 1.00 0.00 H new ATOM 0 HB THR A 19 -3.243 -0.924 -10.701 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.258 -0.451 -12.751 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.021 -2.706 -11.917 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.420 -3.372 -11.041 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.509 -3.122 -12.800 1.00 0.00 H new ATOM 318 N PHE A 20 -5.529 -1.357 -9.164 1.00 0.00 N ATOM 319 CA PHE A 20 -5.918 -1.938 -7.883 1.00 0.00 C ATOM 320 C PHE A 20 -7.340 -2.447 -7.942 1.00 0.00 C ATOM 321 O PHE A 20 -7.631 -3.547 -7.484 1.00 0.00 O ATOM 322 CB PHE A 20 -5.799 -0.895 -6.771 1.00 0.00 C ATOM 323 CG PHE A 20 -4.486 -1.059 -6.044 1.00 0.00 C ATOM 324 CD1 PHE A 20 -4.432 -0.888 -4.656 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.320 -1.371 -6.757 1.00 0.00 C ATOM 326 CE1 PHE A 20 -3.217 -1.030 -3.980 1.00 0.00 C ATOM 327 CE2 PHE A 20 -2.104 -1.515 -6.080 1.00 0.00 C ATOM 328 CZ PHE A 20 -2.054 -1.343 -4.691 1.00 0.00 C ATOM 0 H PHE A 20 -5.208 -0.390 -9.114 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.249 -2.772 -7.670 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.867 0.108 -7.193 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.627 -1.003 -6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.330 -0.646 -4.107 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.360 -1.500 -7.828 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.176 -0.898 -2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.206 -1.758 -6.628 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.115 -1.452 -4.168 1.00 0.00 H new ATOM 338 N LEU A 21 -8.223 -1.649 -8.508 1.00 0.00 N ATOM 339 CA LEU A 21 -9.608 -2.055 -8.607 1.00 0.00 C ATOM 340 C LEU A 21 -9.722 -3.310 -9.461 1.00 0.00 C ATOM 341 O LEU A 21 -10.553 -4.175 -9.200 1.00 0.00 O ATOM 342 CB LEU A 21 -10.448 -0.933 -9.216 1.00 0.00 C ATOM 343 CG LEU A 21 -11.598 -0.574 -8.268 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.389 0.572 -8.857 1.00 0.00 C ATOM 345 CD2 LEU A 21 -12.521 -1.780 -8.073 1.00 0.00 C ATOM 0 H LEU A 21 -8.011 -0.731 -8.900 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.982 -2.269 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.825 -0.057 -9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.845 -1.246 -10.182 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.186 -0.284 -7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.208 0.831 -8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.737 1.436 -8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.793 0.276 -9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.333 -1.511 -7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.934 -2.081 -9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.954 -2.607 -7.647 1.00 0.00 H new ATOM 357 N SER A 22 -8.873 -3.403 -10.485 1.00 0.00 N ATOM 358 CA SER A 22 -8.904 -4.555 -11.385 1.00 0.00 C ATOM 359 C SER A 22 -8.466 -5.842 -10.693 1.00 0.00 C ATOM 360 O SER A 22 -9.150 -6.863 -10.774 1.00 0.00 O ATOM 361 CB SER A 22 -7.997 -4.299 -12.594 1.00 0.00 C ATOM 362 OG SER A 22 -7.499 -5.536 -13.080 1.00 0.00 O ATOM 0 H SER A 22 -8.165 -2.704 -10.710 1.00 0.00 H new ATOM 0 HA SER A 22 -9.937 -4.683 -11.707 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.554 -3.785 -13.378 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.170 -3.648 -12.311 1.00 0.00 H new ATOM 0 HG SER A 22 -6.920 -5.374 -13.854 1.00 0.00 H new ATOM 368 N LEU A 23 -7.314 -5.798 -10.032 1.00 0.00 N ATOM 369 CA LEU A 23 -6.780 -6.979 -9.353 1.00 0.00 C ATOM 370 C LEU A 23 -7.551 -7.292 -8.075 1.00 0.00 C ATOM 371 O LEU A 23 -7.901 -8.447 -7.824 1.00 0.00 O ATOM 372 CB LEU A 23 -5.291 -6.766 -9.021 1.00 0.00 C ATOM 373 CG LEU A 23 -5.095 -5.456 -8.236 1.00 0.00 C ATOM 374 CD1 LEU A 23 -5.010 -5.743 -6.732 1.00 0.00 C ATOM 375 CD2 LEU A 23 -3.794 -4.772 -8.671 1.00 0.00 C ATOM 0 H LEU A 23 -6.733 -4.964 -9.951 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.890 -7.827 -10.029 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.919 -7.607 -8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.708 -6.736 -9.941 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.947 -4.807 -8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.871 -4.807 -6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.932 -6.221 -6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.166 -6.405 -6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.664 -3.846 -8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.951 -5.435 -8.476 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.840 -4.547 -9.737 1.00 0.00 H new ATOM 387 N LEU A 24 -7.795 -6.274 -7.263 1.00 0.00 N ATOM 388 CA LEU A 24 -8.499 -6.479 -6.003 1.00 0.00 C ATOM 389 C LEU A 24 -9.911 -6.967 -6.243 1.00 0.00 C ATOM 390 O LEU A 24 -10.465 -7.715 -5.436 1.00 0.00 O ATOM 391 CB LEU A 24 -8.492 -5.186 -5.182 1.00 0.00 C ATOM 392 CG LEU A 24 -9.697 -4.295 -5.549 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.978 -4.754 -4.839 1.00 0.00 C ATOM 394 CD2 LEU A 24 -9.414 -2.855 -5.121 1.00 0.00 C ATOM 0 H LEU A 24 -7.521 -5.309 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.979 -7.251 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.522 -5.425 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.564 -4.642 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.842 -4.367 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.805 -4.102 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.208 -5.779 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.833 -4.707 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.265 -2.225 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.252 -2.821 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.524 -2.491 -5.634 1.00 0.00 H new ATOM 406 N GLU A 25 -10.485 -6.573 -7.367 1.00 0.00 N ATOM 407 CA GLU A 25 -11.827 -7.010 -7.695 1.00 0.00 C ATOM 408 C GLU A 25 -11.813 -8.472 -8.132 1.00 0.00 C ATOM 409 O GLU A 25 -12.689 -9.251 -7.755 1.00 0.00 O ATOM 410 CB GLU A 25 -12.376 -6.145 -8.823 1.00 0.00 C ATOM 411 CG GLU A 25 -13.673 -6.743 -9.340 1.00 0.00 C ATOM 412 CD GLU A 25 -14.511 -5.661 -10.005 1.00 0.00 C ATOM 413 OE1 GLU A 25 -14.204 -5.309 -11.132 1.00 0.00 O ATOM 414 OE2 GLU A 25 -15.447 -5.192 -9.376 1.00 0.00 O ATOM 0 H GLU A 25 -10.049 -5.961 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.461 -6.912 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.549 -5.130 -8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.647 -6.078 -9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.458 -7.539 -10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.230 -7.193 -8.518 1.00 0.00 H new ATOM 421 N ALA A 26 -10.809 -8.843 -8.923 1.00 0.00 N ATOM 422 CA ALA A 26 -10.696 -10.219 -9.393 1.00 0.00 C ATOM 423 C ALA A 26 -10.621 -11.179 -8.209 1.00 0.00 C ATOM 424 O ALA A 26 -11.214 -12.258 -8.234 1.00 0.00 O ATOM 425 CB ALA A 26 -9.448 -10.376 -10.262 1.00 0.00 C ATOM 0 H ALA A 26 -10.071 -8.218 -9.248 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.579 -10.456 -9.986 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.373 -11.407 -10.608 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.517 -9.709 -11.121 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.563 -10.124 -9.677 1.00 0.00 H new ATOM 431 N ALA A 27 -9.897 -10.773 -7.172 1.00 0.00 N ATOM 432 CA ALA A 27 -9.756 -11.597 -5.976 1.00 0.00 C ATOM 433 C ALA A 27 -10.986 -11.450 -5.088 1.00 0.00 C ATOM 434 O ALA A 27 -11.168 -12.197 -4.126 1.00 0.00 O ATOM 435 CB ALA A 27 -8.511 -11.180 -5.200 1.00 0.00 C ATOM 0 H ALA A 27 -9.401 -9.883 -7.134 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.659 -12.639 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.413 -11.800 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.630 -11.308 -5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.599 -10.134 -4.906 1.00 0.00 H new ATOM 441 N ASP A 28 -11.826 -10.477 -5.424 1.00 0.00 N ATOM 442 CA ASP A 28 -13.045 -10.224 -4.665 1.00 0.00 C ATOM 443 C ASP A 28 -12.726 -9.583 -3.315 1.00 0.00 C ATOM 444 O ASP A 28 -13.193 -10.054 -2.277 1.00 0.00 O ATOM 445 CB ASP A 28 -13.808 -11.536 -4.448 1.00 0.00 C ATOM 446 CG ASP A 28 -13.621 -12.453 -5.654 1.00 0.00 C ATOM 447 OD1 ASP A 28 -12.896 -13.425 -5.527 1.00 0.00 O ATOM 448 OD2 ASP A 28 -14.206 -12.167 -6.686 1.00 0.00 O ATOM 0 H ASP A 28 -11.685 -9.851 -6.217 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.665 -9.533 -5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.449 -12.030 -3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.868 -11.330 -4.298 1.00 0.00 H new ATOM 453 N LEU A 29 -11.938 -8.503 -3.331 1.00 0.00 N ATOM 454 CA LEU A 29 -11.588 -7.811 -2.090 1.00 0.00 C ATOM 455 C LEU A 29 -12.375 -6.519 -1.961 1.00 0.00 C ATOM 456 O LEU A 29 -12.366 -5.870 -0.922 1.00 0.00 O ATOM 457 CB LEU A 29 -10.089 -7.511 -2.036 1.00 0.00 C ATOM 458 CG LEU A 29 -9.319 -8.737 -1.512 1.00 0.00 C ATOM 459 CD1 LEU A 29 -9.488 -8.889 0.002 1.00 0.00 C ATOM 460 CD2 LEU A 29 -9.819 -10.018 -2.186 1.00 0.00 C ATOM 0 H LEU A 29 -11.537 -8.096 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.842 -8.468 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.728 -7.243 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.906 -6.653 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.266 -8.580 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.933 -9.763 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.107 -7.999 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.544 -9.014 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.262 -10.873 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.880 -10.151 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.672 -9.944 -3.263 1.00 0.00 H new ATOM 472 N LYS A 30 -13.074 -6.167 -3.020 1.00 0.00 N ATOM 473 CA LYS A 30 -13.891 -4.968 -3.018 1.00 0.00 C ATOM 474 C LYS A 30 -14.849 -5.001 -1.824 1.00 0.00 C ATOM 475 O LYS A 30 -15.269 -3.959 -1.321 1.00 0.00 O ATOM 476 CB LYS A 30 -14.673 -4.845 -4.343 1.00 0.00 C ATOM 477 CG LYS A 30 -15.141 -6.218 -4.886 1.00 0.00 C ATOM 478 CD LYS A 30 -16.520 -6.555 -4.319 1.00 0.00 C ATOM 479 CE LYS A 30 -16.699 -8.073 -4.249 1.00 0.00 C ATOM 480 NZ LYS A 30 -18.153 -8.397 -4.277 1.00 0.00 N ATOM 0 H LYS A 30 -13.094 -6.693 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.244 -4.095 -2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.541 -4.203 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.044 -4.359 -5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.181 -6.194 -5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.425 -6.992 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.630 -6.121 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.297 -6.117 -4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.192 -8.550 -5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.245 -8.463 -3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.298 -9.372 -3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.667 -7.740 -3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.511 -8.305 -5.249 1.00 0.00 H new ATOM 494 N GLU A 31 -15.183 -6.210 -1.377 1.00 0.00 N ATOM 495 CA GLU A 31 -16.083 -6.391 -0.237 1.00 0.00 C ATOM 496 C GLU A 31 -15.325 -6.265 1.085 1.00 0.00 C ATOM 497 O GLU A 31 -15.922 -6.083 2.146 1.00 0.00 O ATOM 498 CB GLU A 31 -16.773 -7.753 -0.320 1.00 0.00 C ATOM 499 CG GLU A 31 -18.193 -7.575 -0.864 1.00 0.00 C ATOM 500 CD GLU A 31 -19.108 -7.025 0.227 1.00 0.00 C ATOM 501 OE1 GLU A 31 -18.595 -6.464 1.178 1.00 0.00 O ATOM 502 OE2 GLU A 31 -20.313 -7.175 0.090 1.00 0.00 O ATOM 0 H GLU A 31 -14.844 -7.081 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.839 -5.606 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.205 -8.421 -0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.806 -8.217 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -18.182 -6.896 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -18.576 -8.530 -1.223 1.00 0.00 H new ATOM 509 N LEU A 32 -14.006 -6.391 1.013 1.00 0.00 N ATOM 510 CA LEU A 32 -13.159 -6.300 2.189 1.00 0.00 C ATOM 511 C LEU A 32 -12.885 -4.841 2.559 1.00 0.00 C ATOM 512 O LEU A 32 -12.868 -4.476 3.730 1.00 0.00 O ATOM 513 CB LEU A 32 -11.852 -7.042 1.900 1.00 0.00 C ATOM 514 CG LEU A 32 -10.867 -6.814 3.044 1.00 0.00 C ATOM 515 CD1 LEU A 32 -10.105 -8.087 3.391 1.00 0.00 C ATOM 516 CD2 LEU A 32 -9.825 -5.781 2.648 1.00 0.00 C ATOM 0 H LEU A 32 -13.499 -6.558 0.144 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.665 -6.757 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.046 -8.108 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.423 -6.690 0.962 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.457 -6.481 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.414 -7.886 4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.810 -8.862 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.546 -8.426 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.130 -5.630 3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.278 -6.133 1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.319 -4.838 2.412 1.00 0.00 H new ATOM 528 N LEU A 33 -12.675 -4.012 1.556 1.00 0.00 N ATOM 529 CA LEU A 33 -12.410 -2.593 1.797 1.00 0.00 C ATOM 530 C LEU A 33 -13.574 -1.952 2.546 1.00 0.00 C ATOM 531 O LEU A 33 -13.381 -1.033 3.344 1.00 0.00 O ATOM 532 CB LEU A 33 -12.191 -1.849 0.475 1.00 0.00 C ATOM 533 CG LEU A 33 -11.720 -2.827 -0.598 1.00 0.00 C ATOM 534 CD1 LEU A 33 -11.379 -2.076 -1.878 1.00 0.00 C ATOM 535 CD2 LEU A 33 -10.478 -3.577 -0.112 1.00 0.00 C ATOM 0 H LEU A 33 -12.681 -4.285 0.573 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.506 -2.521 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.117 -1.368 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.452 -1.059 0.610 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.522 -3.537 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.044 -2.783 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.263 -1.550 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.585 -1.357 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.148 -4.273 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.681 -2.864 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.719 -4.130 0.796 1.00 0.00 H new ATOM 547 N THR A 34 -14.785 -2.434 2.284 1.00 0.00 N ATOM 548 CA THR A 34 -15.966 -1.886 2.945 1.00 0.00 C ATOM 549 C THR A 34 -16.095 -2.431 4.362 1.00 0.00 C ATOM 550 O THR A 34 -17.156 -2.323 4.974 1.00 0.00 O ATOM 551 CB THR A 34 -17.229 -2.219 2.157 1.00 0.00 C ATOM 552 OG1 THR A 34 -18.374 -1.866 2.920 1.00 0.00 O ATOM 553 CG2 THR A 34 -17.250 -3.711 1.871 1.00 0.00 C ATOM 0 H THR A 34 -14.974 -3.192 1.628 1.00 0.00 H new ATOM 0 HA THR A 34 -15.848 -0.803 2.990 1.00 0.00 H new ATOM 0 HB THR A 34 -17.238 -1.661 1.220 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.379 -2.375 3.757 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.149 -3.961 1.308 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.370 -3.982 1.288 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.246 -4.262 2.812 1.00 0.00 H new ATOM 561 N GLN A 35 -15.016 -3.016 4.878 1.00 0.00 N ATOM 562 CA GLN A 35 -15.035 -3.552 6.232 1.00 0.00 C ATOM 563 C GLN A 35 -14.395 -2.550 7.212 1.00 0.00 C ATOM 564 O GLN A 35 -13.177 -2.580 7.399 1.00 0.00 O ATOM 565 CB GLN A 35 -14.269 -4.872 6.275 1.00 0.00 C ATOM 566 CG GLN A 35 -14.896 -5.842 5.278 1.00 0.00 C ATOM 567 CD GLN A 35 -16.317 -6.183 5.699 1.00 0.00 C ATOM 568 OE1 GLN A 35 -16.598 -6.317 6.889 1.00 0.00 O ATOM 569 NE2 GLN A 35 -17.235 -6.327 4.784 1.00 0.00 N ATOM 0 H GLN A 35 -14.130 -3.129 4.385 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.070 -3.723 6.527 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.220 -4.707 6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.300 -5.293 7.280 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.901 -5.399 4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.298 -6.752 5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.995 -6.215 3.799 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.193 -6.552 5.053 1.00 0.00 H new ATOM 578 N PRO A 36 -15.168 -1.661 7.831 1.00 0.00 N ATOM 579 CA PRO A 36 -14.630 -0.647 8.778 1.00 0.00 C ATOM 580 C PRO A 36 -13.391 -1.116 9.536 1.00 0.00 C ATOM 581 O PRO A 36 -13.348 -2.235 10.046 1.00 0.00 O ATOM 582 CB PRO A 36 -15.796 -0.431 9.732 1.00 0.00 C ATOM 583 CG PRO A 36 -17.021 -0.611 8.899 1.00 0.00 C ATOM 584 CD PRO A 36 -16.638 -1.500 7.706 1.00 0.00 C ATOM 0 HA PRO A 36 -14.295 0.252 8.261 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.770 -1.146 10.554 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.763 0.565 10.175 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.817 -1.073 9.482 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.396 0.353 8.555 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -17.149 -2.462 7.746 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.909 -1.034 6.759 1.00 0.00 H new ATOM 592 N GLY A 37 -12.389 -0.243 9.608 1.00 0.00 N ATOM 593 CA GLY A 37 -11.156 -0.571 10.314 1.00 0.00 C ATOM 594 C GLY A 37 -10.035 0.357 9.881 1.00 0.00 C ATOM 595 O GLY A 37 -9.957 0.727 8.717 1.00 0.00 O ATOM 0 H GLY A 37 -12.407 0.687 9.190 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.312 -0.486 11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.878 -1.606 10.113 1.00 0.00 H new ATOM 599 N ASP A 38 -9.177 0.735 10.822 1.00 0.00 N ATOM 600 CA ASP A 38 -8.066 1.632 10.518 1.00 0.00 C ATOM 601 C ASP A 38 -6.808 0.846 10.173 1.00 0.00 C ATOM 602 O ASP A 38 -6.278 0.107 11.003 1.00 0.00 O ATOM 603 CB ASP A 38 -7.784 2.537 11.719 1.00 0.00 C ATOM 604 CG ASP A 38 -8.777 2.239 12.836 1.00 0.00 C ATOM 605 OD1 ASP A 38 -9.500 3.145 13.216 1.00 0.00 O ATOM 606 OD2 ASP A 38 -8.801 1.109 13.295 1.00 0.00 O ATOM 0 H ASP A 38 -9.228 0.437 11.796 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.346 2.238 9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.766 2.379 12.074 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.859 3.583 11.423 1.00 0.00 H new ATOM 611 N TRP A 39 -6.330 1.015 8.946 1.00 0.00 N ATOM 612 CA TRP A 39 -5.121 0.319 8.519 1.00 0.00 C ATOM 613 C TRP A 39 -4.333 1.160 7.516 1.00 0.00 C ATOM 614 O TRP A 39 -4.845 2.148 6.986 1.00 0.00 O ATOM 615 CB TRP A 39 -5.480 -1.031 7.894 1.00 0.00 C ATOM 616 CG TRP A 39 -6.946 -1.126 7.682 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.845 -1.413 8.647 1.00 0.00 C ATOM 618 CD2 TRP A 39 -7.698 -0.959 6.451 1.00 0.00 C ATOM 619 NE1 TRP A 39 -9.108 -1.434 8.085 1.00 0.00 N ATOM 620 CE2 TRP A 39 -9.069 -1.160 6.732 1.00 0.00 C ATOM 621 CE3 TRP A 39 -7.329 -0.663 5.127 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -10.042 -1.055 5.738 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -8.305 -0.557 4.124 1.00 0.00 C ATOM 624 CH2 TRP A 39 -9.658 -0.759 4.427 1.00 0.00 C ATOM 0 H TRP A 39 -6.752 1.617 8.239 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.498 0.154 9.398 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.960 -1.149 6.944 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.146 -1.840 8.543 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.616 -1.596 9.686 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.963 -1.628 8.606 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.288 -0.516 4.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -11.084 -1.201 5.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -8.011 -0.318 3.112 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -10.403 -0.686 3.649 1.00 0.00 H new ATOM 635 N THR A 40 -3.087 0.756 7.258 1.00 0.00 N ATOM 636 CA THR A 40 -2.245 1.478 6.307 1.00 0.00 C ATOM 637 C THR A 40 -2.315 0.824 4.934 1.00 0.00 C ATOM 638 O THR A 40 -2.227 -0.408 4.825 1.00 0.00 O ATOM 639 CB THR A 40 -0.788 1.523 6.785 1.00 0.00 C ATOM 640 OG1 THR A 40 -0.752 1.624 8.199 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.069 2.732 6.181 1.00 0.00 C ATOM 0 H THR A 40 -2.645 -0.056 7.689 1.00 0.00 H new ATOM 0 HA THR A 40 -2.619 2.499 6.238 1.00 0.00 H new ATOM 0 HB THR A 40 -0.288 0.609 6.465 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.180 1.651 8.501 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.964 2.752 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.085 2.659 5.094 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.574 3.647 6.490 1.00 0.00 H new ATOM 649 N LEU A 41 -2.498 1.657 3.897 1.00 0.00 N ATOM 650 CA LEU A 41 -2.604 1.147 2.535 1.00 0.00 C ATOM 651 C LEU A 41 -1.454 1.636 1.664 1.00 0.00 C ATOM 652 O LEU A 41 -1.317 2.834 1.418 1.00 0.00 O ATOM 653 CB LEU A 41 -3.955 1.588 1.936 1.00 0.00 C ATOM 654 CG LEU A 41 -4.128 1.135 0.464 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.331 2.012 -0.501 1.00 0.00 C ATOM 656 CD2 LEU A 41 -3.656 -0.300 0.281 1.00 0.00 C ATOM 0 H LEU A 41 -2.574 2.671 3.980 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.549 0.059 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.766 1.177 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.036 2.674 1.991 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.191 1.222 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.481 1.659 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.671 3.044 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.271 1.959 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.787 -0.596 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.602 -0.373 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.240 -0.960 0.922 1.00 0.00 H new ATOM 668 N PHE A 42 -0.653 0.683 1.187 1.00 0.00 N ATOM 669 CA PHE A 42 0.479 0.984 0.316 1.00 0.00 C ATOM 670 C PHE A 42 0.081 0.753 -1.132 1.00 0.00 C ATOM 671 O PHE A 42 -0.153 -0.381 -1.547 1.00 0.00 O ATOM 672 CB PHE A 42 1.688 0.110 0.670 1.00 0.00 C ATOM 673 CG PHE A 42 2.530 0.813 1.708 1.00 0.00 C ATOM 674 CD1 PHE A 42 2.006 1.057 2.985 1.00 0.00 C ATOM 675 CD2 PHE A 42 3.830 1.228 1.393 1.00 0.00 C ATOM 676 CE1 PHE A 42 2.785 1.717 3.945 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.606 1.886 2.353 1.00 0.00 C ATOM 678 CZ PHE A 42 4.085 2.130 3.629 1.00 0.00 C ATOM 0 H PHE A 42 -0.770 -0.309 1.392 1.00 0.00 H new ATOM 0 HA PHE A 42 0.759 2.028 0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.354 -0.855 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.282 -0.087 -0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.004 0.737 3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.233 1.040 0.409 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.382 1.907 4.929 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.608 2.206 2.109 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.686 2.637 4.370 1.00 0.00 H new ATOM 688 N VAL A 43 -0.003 1.842 -1.892 1.00 0.00 N ATOM 689 CA VAL A 43 -0.389 1.759 -3.293 1.00 0.00 C ATOM 690 C VAL A 43 0.691 2.368 -4.200 1.00 0.00 C ATOM 691 O VAL A 43 0.895 3.583 -4.177 1.00 0.00 O ATOM 692 CB VAL A 43 -1.718 2.487 -3.527 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.816 3.759 -2.680 1.00 0.00 C ATOM 694 CG2 VAL A 43 -1.842 2.849 -5.009 1.00 0.00 C ATOM 0 H VAL A 43 0.191 2.787 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.504 0.704 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.529 1.821 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.770 4.250 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.746 3.499 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.002 4.434 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.786 3.367 -5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.015 3.499 -5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.814 1.940 -5.609 1.00 0.00 H new ATOM 704 N PRO A 44 1.374 1.574 -5.004 1.00 0.00 N ATOM 705 CA PRO A 44 2.419 2.095 -5.926 1.00 0.00 C ATOM 706 C PRO A 44 1.815 2.657 -7.217 1.00 0.00 C ATOM 707 O PRO A 44 0.774 2.187 -7.676 1.00 0.00 O ATOM 708 CB PRO A 44 3.272 0.863 -6.202 1.00 0.00 C ATOM 709 CG PRO A 44 2.333 -0.292 -6.114 1.00 0.00 C ATOM 710 CD PRO A 44 1.235 0.105 -5.130 1.00 0.00 C ATOM 0 HA PRO A 44 2.982 2.926 -5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.736 0.918 -7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.078 0.771 -5.474 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.911 -0.522 -7.092 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.853 -1.187 -5.773 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.248 -0.171 -5.502 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.364 -0.391 -4.168 1.00 0.00 H new ATOM 718 N THR A 45 2.465 3.669 -7.792 1.00 0.00 N ATOM 719 CA THR A 45 1.966 4.284 -9.022 1.00 0.00 C ATOM 720 C THR A 45 2.409 3.489 -10.248 1.00 0.00 C ATOM 721 O THR A 45 3.064 2.464 -10.130 1.00 0.00 O ATOM 722 CB THR A 45 2.482 5.719 -9.125 1.00 0.00 C ATOM 723 OG1 THR A 45 3.770 5.800 -8.527 1.00 0.00 O ATOM 724 CG2 THR A 45 1.522 6.660 -8.394 1.00 0.00 C ATOM 0 H THR A 45 3.328 4.076 -7.431 1.00 0.00 H new ATOM 0 HA THR A 45 0.877 4.286 -8.989 1.00 0.00 H new ATOM 0 HB THR A 45 2.547 6.009 -10.174 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.388 5.203 -8.999 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.890 7.684 -8.467 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.533 6.596 -8.849 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.458 6.372 -7.345 1.00 0.00 H new ATOM 732 N ASN A 46 2.042 3.967 -11.428 1.00 0.00 N ATOM 733 CA ASN A 46 2.414 3.280 -12.658 1.00 0.00 C ATOM 734 C ASN A 46 3.931 3.267 -12.831 1.00 0.00 C ATOM 735 O ASN A 46 4.509 2.265 -13.264 1.00 0.00 O ATOM 736 CB ASN A 46 1.769 3.976 -13.857 1.00 0.00 C ATOM 737 CG ASN A 46 2.639 3.789 -15.095 1.00 0.00 C ATOM 738 OD1 ASN A 46 2.907 2.660 -15.503 1.00 0.00 O ATOM 739 ND2 ASN A 46 3.097 4.839 -15.720 1.00 0.00 N ATOM 0 H ASN A 46 1.494 4.817 -11.561 1.00 0.00 H new ATOM 0 HA ASN A 46 2.059 2.251 -12.598 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.775 3.566 -14.035 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.643 5.038 -13.647 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.679 4.725 -16.550 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.873 5.774 -15.379 1.00 0.00 H new ATOM 746 N ASP A 47 4.569 4.387 -12.498 1.00 0.00 N ATOM 747 CA ASP A 47 6.020 4.505 -12.628 1.00 0.00 C ATOM 748 C ASP A 47 6.725 3.360 -11.907 1.00 0.00 C ATOM 749 O ASP A 47 7.885 3.053 -12.190 1.00 0.00 O ATOM 750 CB ASP A 47 6.487 5.842 -12.048 1.00 0.00 C ATOM 751 CG ASP A 47 5.609 6.237 -10.866 1.00 0.00 C ATOM 752 OD1 ASP A 47 4.700 7.026 -11.065 1.00 0.00 O ATOM 753 OD2 ASP A 47 5.858 5.745 -9.777 1.00 0.00 O ATOM 0 H ASP A 47 4.107 5.222 -12.138 1.00 0.00 H new ATOM 0 HA ASP A 47 6.274 4.457 -13.687 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.526 5.765 -11.729 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.445 6.615 -12.816 1.00 0.00 H new ATOM 758 N ALA A 48 6.016 2.735 -10.978 1.00 0.00 N ATOM 759 CA ALA A 48 6.566 1.623 -10.213 1.00 0.00 C ATOM 760 C ALA A 48 6.309 0.302 -10.925 1.00 0.00 C ATOM 761 O ALA A 48 7.058 -0.661 -10.761 1.00 0.00 O ATOM 762 CB ALA A 48 5.893 1.572 -8.854 1.00 0.00 C ATOM 0 H ALA A 48 5.056 2.979 -10.735 1.00 0.00 H new ATOM 0 HA ALA A 48 7.640 1.773 -10.108 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.301 0.742 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.074 2.506 -8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.820 1.431 -8.984 1.00 0.00 H new ATOM 768 N PHE A 49 5.234 0.262 -11.706 1.00 0.00 N ATOM 769 CA PHE A 49 4.877 -0.956 -12.423 1.00 0.00 C ATOM 770 C PHE A 49 5.795 -1.156 -13.617 1.00 0.00 C ATOM 771 O PHE A 49 5.935 -2.271 -14.119 1.00 0.00 O ATOM 772 CB PHE A 49 3.422 -0.897 -12.896 1.00 0.00 C ATOM 773 CG PHE A 49 2.636 -2.023 -12.261 1.00 0.00 C ATOM 774 CD1 PHE A 49 2.274 -1.948 -10.910 1.00 0.00 C ATOM 775 CD2 PHE A 49 2.268 -3.140 -13.023 1.00 0.00 C ATOM 776 CE1 PHE A 49 1.546 -2.989 -10.320 1.00 0.00 C ATOM 777 CE2 PHE A 49 1.538 -4.181 -12.433 1.00 0.00 C ATOM 778 CZ PHE A 49 1.177 -4.105 -11.082 1.00 0.00 C ATOM 0 H PHE A 49 4.602 1.048 -11.857 1.00 0.00 H new ATOM 0 HA PHE A 49 4.992 -1.797 -11.740 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.981 0.063 -12.629 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.379 -0.977 -13.982 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.556 -1.087 -10.323 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.547 -3.199 -14.065 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.269 -2.931 -9.278 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.254 -5.042 -13.020 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.614 -4.907 -10.628 1.00 0.00 H new ATOM 788 N LYS A 50 6.411 -0.067 -14.061 1.00 0.00 N ATOM 789 CA LYS A 50 7.320 -0.122 -15.200 1.00 0.00 C ATOM 790 C LYS A 50 8.459 -1.098 -14.928 1.00 0.00 C ATOM 791 O LYS A 50 9.345 -0.821 -14.120 1.00 0.00 O ATOM 792 CB LYS A 50 7.894 1.269 -15.473 1.00 0.00 C ATOM 793 CG LYS A 50 6.804 2.154 -16.090 1.00 0.00 C ATOM 794 CD LYS A 50 7.258 3.619 -16.133 1.00 0.00 C ATOM 795 CE LYS A 50 7.916 3.910 -17.484 1.00 0.00 C ATOM 796 NZ LYS A 50 6.908 3.761 -18.571 1.00 0.00 N ATOM 0 H LYS A 50 6.299 0.861 -13.652 1.00 0.00 H new ATOM 0 HA LYS A 50 6.763 -0.465 -16.072 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.258 1.713 -14.547 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.746 1.197 -16.149 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.575 1.809 -17.098 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.886 2.069 -15.508 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.404 4.280 -15.982 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.961 3.817 -15.324 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.327 4.920 -17.490 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.749 3.226 -17.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.107 4.449 -19.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.956 2.797 -18.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.956 3.933 -18.188 1.00 0.00 H new ATOM 810 N GLY A 51 8.430 -2.241 -15.606 1.00 0.00 N ATOM 811 CA GLY A 51 9.471 -3.247 -15.425 1.00 0.00 C ATOM 812 C GLY A 51 8.882 -4.653 -15.462 1.00 0.00 C ATOM 813 O GLY A 51 9.455 -5.563 -16.062 1.00 0.00 O ATOM 0 H GLY A 51 7.706 -2.492 -16.279 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.223 -3.143 -16.207 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.977 -3.085 -14.473 1.00 0.00 H new ATOM 817 N MET A 52 7.734 -4.821 -14.817 1.00 0.00 N ATOM 818 CA MET A 52 7.070 -6.116 -14.776 1.00 0.00 C ATOM 819 C MET A 52 7.008 -6.729 -16.170 1.00 0.00 C ATOM 820 O MET A 52 6.453 -6.139 -17.097 1.00 0.00 O ATOM 821 CB MET A 52 5.653 -5.952 -14.225 1.00 0.00 C ATOM 822 CG MET A 52 5.554 -6.636 -12.863 1.00 0.00 C ATOM 823 SD MET A 52 6.715 -5.866 -11.708 1.00 0.00 S ATOM 824 CE MET A 52 5.591 -4.603 -11.061 1.00 0.00 C ATOM 0 H MET A 52 7.245 -4.078 -14.317 1.00 0.00 H new ATOM 0 HA MET A 52 7.640 -6.779 -14.126 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.408 -4.894 -14.131 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.930 -6.387 -14.916 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.537 -6.557 -12.479 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.775 -7.699 -12.962 1.00 0.00 H new ATOM 0 HE1 MET A 52 6.160 -3.863 -10.498 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.078 -4.114 -11.889 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.857 -5.071 -10.405 1.00 0.00 H new ATOM 834 N THR A 53 7.580 -7.918 -16.309 1.00 0.00 N ATOM 835 CA THR A 53 7.587 -8.608 -17.592 1.00 0.00 C ATOM 836 C THR A 53 6.426 -9.589 -17.680 1.00 0.00 C ATOM 837 O THR A 53 5.960 -10.108 -16.666 1.00 0.00 O ATOM 838 CB THR A 53 8.908 -9.348 -17.769 1.00 0.00 C ATOM 839 OG1 THR A 53 9.036 -10.339 -16.759 1.00 0.00 O ATOM 840 CG2 THR A 53 10.058 -8.347 -17.662 1.00 0.00 C ATOM 0 H THR A 53 8.043 -8.423 -15.553 1.00 0.00 H new ATOM 0 HA THR A 53 7.475 -7.870 -18.387 1.00 0.00 H new ATOM 0 HB THR A 53 8.934 -9.830 -18.746 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.885 -10.816 -16.874 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.007 -8.868 -17.787 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.955 -7.590 -18.439 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.034 -7.868 -16.683 1.00 0.00 H new ATOM 848 N SER A 54 5.961 -9.834 -18.898 1.00 0.00 N ATOM 849 CA SER A 54 4.849 -10.752 -19.110 1.00 0.00 C ATOM 850 C SER A 54 5.027 -12.016 -18.275 1.00 0.00 C ATOM 851 O SER A 54 4.078 -12.513 -17.670 1.00 0.00 O ATOM 852 CB SER A 54 4.763 -11.131 -20.588 1.00 0.00 C ATOM 853 OG SER A 54 3.736 -10.372 -21.210 1.00 0.00 O ATOM 0 H SER A 54 6.333 -9.413 -19.749 1.00 0.00 H new ATOM 0 HA SER A 54 3.930 -10.253 -18.804 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.718 -10.943 -21.079 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.556 -12.196 -20.690 1.00 0.00 H new ATOM 0 HG SER A 54 3.680 -10.612 -22.158 1.00 0.00 H new ATOM 859 N GLU A 55 6.250 -12.528 -18.245 1.00 0.00 N ATOM 860 CA GLU A 55 6.546 -13.737 -17.484 1.00 0.00 C ATOM 861 C GLU A 55 6.419 -13.468 -15.993 1.00 0.00 C ATOM 862 O GLU A 55 5.903 -14.294 -15.242 1.00 0.00 O ATOM 863 CB GLU A 55 7.960 -14.224 -17.801 1.00 0.00 C ATOM 864 CG GLU A 55 8.224 -15.539 -17.067 1.00 0.00 C ATOM 865 CD GLU A 55 8.627 -16.624 -18.061 1.00 0.00 C ATOM 866 OE1 GLU A 55 9.552 -16.389 -18.822 1.00 0.00 O ATOM 867 OE2 GLU A 55 8.007 -17.673 -18.045 1.00 0.00 O ATOM 0 H GLU A 55 7.050 -12.129 -18.736 1.00 0.00 H new ATOM 0 HA GLU A 55 5.829 -14.508 -17.766 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.075 -14.366 -18.876 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.691 -13.474 -17.499 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.014 -15.400 -16.329 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.331 -15.847 -16.524 1.00 0.00 H new ATOM 874 N GLU A 56 6.893 -12.306 -15.568 1.00 0.00 N ATOM 875 CA GLU A 56 6.824 -11.942 -14.163 1.00 0.00 C ATOM 876 C GLU A 56 5.385 -11.984 -13.668 1.00 0.00 C ATOM 877 O GLU A 56 5.047 -12.755 -12.772 1.00 0.00 O ATOM 878 CB GLU A 56 7.391 -10.537 -13.962 1.00 0.00 C ATOM 879 CG GLU A 56 8.695 -10.622 -13.168 1.00 0.00 C ATOM 880 CD GLU A 56 9.286 -9.229 -12.987 1.00 0.00 C ATOM 881 OE1 GLU A 56 9.448 -8.819 -11.852 1.00 0.00 O ATOM 882 OE2 GLU A 56 9.568 -8.594 -13.991 1.00 0.00 O ATOM 0 H GLU A 56 7.325 -11.606 -16.170 1.00 0.00 H new ATOM 0 HA GLU A 56 7.413 -12.659 -13.592 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.571 -10.064 -14.928 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.670 -9.915 -13.432 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.509 -11.076 -12.195 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.406 -11.263 -13.689 1.00 0.00 H new ATOM 889 N LYS A 57 4.540 -11.145 -14.254 1.00 0.00 N ATOM 890 CA LYS A 57 3.139 -11.087 -13.849 1.00 0.00 C ATOM 891 C LYS A 57 2.479 -12.458 -13.945 1.00 0.00 C ATOM 892 O LYS A 57 1.572 -12.776 -13.175 1.00 0.00 O ATOM 893 CB LYS A 57 2.377 -10.087 -14.720 1.00 0.00 C ATOM 894 CG LYS A 57 2.578 -10.425 -16.199 1.00 0.00 C ATOM 895 CD LYS A 57 1.595 -9.613 -17.045 1.00 0.00 C ATOM 896 CE LYS A 57 1.799 -8.116 -16.790 1.00 0.00 C ATOM 897 NZ LYS A 57 3.256 -7.822 -16.668 1.00 0.00 N ATOM 0 H LYS A 57 4.795 -10.502 -15.003 1.00 0.00 H new ATOM 0 HA LYS A 57 3.106 -10.761 -12.809 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.316 -10.112 -14.473 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.728 -9.075 -14.518 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.602 -10.202 -16.498 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.422 -11.491 -16.364 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.743 -9.834 -18.102 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.571 -9.896 -16.800 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.368 -7.536 -17.606 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.280 -7.818 -15.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.427 -6.819 -16.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.571 -8.026 -15.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.787 -8.416 -17.337 1.00 0.00 H new ATOM 911 N GLU A 58 2.932 -13.265 -14.896 1.00 0.00 N ATOM 912 CA GLU A 58 2.375 -14.588 -15.083 1.00 0.00 C ATOM 913 C GLU A 58 2.790 -15.508 -13.939 1.00 0.00 C ATOM 914 O GLU A 58 2.043 -16.399 -13.541 1.00 0.00 O ATOM 915 CB GLU A 58 2.853 -15.152 -16.417 1.00 0.00 C ATOM 916 CG GLU A 58 2.566 -16.646 -16.463 1.00 0.00 C ATOM 917 CD GLU A 58 2.456 -17.115 -17.910 1.00 0.00 C ATOM 918 OE1 GLU A 58 3.191 -18.016 -18.277 1.00 0.00 O ATOM 919 OE2 GLU A 58 1.636 -16.566 -18.629 1.00 0.00 O ATOM 0 H GLU A 58 3.681 -13.023 -15.545 1.00 0.00 H new ATOM 0 HA GLU A 58 1.287 -14.522 -15.088 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.348 -14.647 -17.240 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.921 -14.971 -16.540 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.361 -17.192 -15.955 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.640 -16.863 -15.931 1.00 0.00 H new ATOM 926 N ILE A 59 3.983 -15.273 -13.405 1.00 0.00 N ATOM 927 CA ILE A 59 4.487 -16.077 -12.299 1.00 0.00 C ATOM 928 C ILE A 59 3.680 -15.808 -11.033 1.00 0.00 C ATOM 929 O ILE A 59 3.488 -16.702 -10.209 1.00 0.00 O ATOM 930 CB ILE A 59 5.962 -15.760 -12.050 1.00 0.00 C ATOM 931 CG1 ILE A 59 6.804 -16.362 -13.183 1.00 0.00 C ATOM 932 CG2 ILE A 59 6.396 -16.366 -10.715 1.00 0.00 C ATOM 933 CD1 ILE A 59 8.101 -15.563 -13.356 1.00 0.00 C ATOM 0 H ILE A 59 4.616 -14.537 -13.718 1.00 0.00 H new ATOM 0 HA ILE A 59 4.386 -17.130 -12.562 1.00 0.00 H new ATOM 0 HB ILE A 59 6.105 -14.680 -12.020 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.036 -17.403 -12.960 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.236 -16.354 -14.113 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.447 -16.140 -10.538 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.793 -15.944 -9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.257 -17.447 -10.744 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.692 -15.998 -14.162 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.861 -14.528 -13.600 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.674 -15.594 -12.429 1.00 0.00 H new ATOM 945 N LEU A 60 3.204 -14.573 -10.882 1.00 0.00 N ATOM 946 CA LEU A 60 2.413 -14.221 -9.702 1.00 0.00 C ATOM 947 C LEU A 60 1.019 -14.838 -9.788 1.00 0.00 C ATOM 948 O LEU A 60 0.610 -15.588 -8.909 1.00 0.00 O ATOM 949 CB LEU A 60 2.291 -12.703 -9.560 1.00 0.00 C ATOM 950 CG LEU A 60 3.623 -12.060 -9.922 1.00 0.00 C ATOM 951 CD1 LEU A 60 3.573 -10.565 -9.615 1.00 0.00 C ATOM 952 CD2 LEU A 60 4.740 -12.715 -9.105 1.00 0.00 C ATOM 0 H LEU A 60 3.348 -13.813 -11.546 1.00 0.00 H new ATOM 0 HA LEU A 60 2.928 -14.617 -8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.502 -12.327 -10.212 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.013 -12.442 -8.539 1.00 0.00 H new ATOM 0 HG LEU A 60 3.818 -12.201 -10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.528 -10.108 -9.875 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.778 -10.100 -10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.378 -10.418 -8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.695 -12.257 -9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.544 -12.574 -8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.777 -13.781 -9.329 1.00 0.00 H new ATOM 964 N ILE A 61 0.292 -14.515 -10.851 1.00 0.00 N ATOM 965 CA ILE A 61 -1.056 -15.050 -11.023 1.00 0.00 C ATOM 966 C ILE A 61 -1.030 -16.572 -11.112 1.00 0.00 C ATOM 967 O ILE A 61 -2.065 -17.226 -10.974 1.00 0.00 O ATOM 968 CB ILE A 61 -1.696 -14.474 -12.286 1.00 0.00 C ATOM 969 CG1 ILE A 61 -0.959 -14.998 -13.515 1.00 0.00 C ATOM 970 CG2 ILE A 61 -1.587 -12.950 -12.258 1.00 0.00 C ATOM 971 CD1 ILE A 61 -1.776 -16.104 -14.186 1.00 0.00 C ATOM 0 H ILE A 61 0.606 -13.895 -11.598 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.647 -14.761 -10.154 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.744 -14.772 -12.328 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.786 -14.184 -14.219 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.019 -15.382 -13.226 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.043 -12.536 -13.158 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.104 -12.564 -11.379 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.537 -12.661 -12.217 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.241 -16.471 -15.062 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.926 -16.923 -13.483 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.744 -15.707 -14.492 1.00 0.00 H new ATOM 983 N ARG A 62 0.154 -17.135 -11.344 1.00 0.00 N ATOM 984 CA ARG A 62 0.285 -18.583 -11.451 1.00 0.00 C ATOM 985 C ARG A 62 -0.213 -19.258 -10.177 1.00 0.00 C ATOM 986 O ARG A 62 -0.597 -20.427 -10.194 1.00 0.00 O ATOM 987 CB ARG A 62 1.760 -18.955 -11.704 1.00 0.00 C ATOM 988 CG ARG A 62 2.390 -19.586 -10.454 1.00 0.00 C ATOM 989 CD ARG A 62 3.883 -19.827 -10.687 1.00 0.00 C ATOM 990 NE ARG A 62 4.170 -21.255 -10.630 1.00 0.00 N ATOM 991 CZ ARG A 62 3.924 -21.965 -9.532 1.00 0.00 C ATOM 992 NH1 ARG A 62 3.431 -21.381 -8.474 1.00 0.00 N ATOM 993 NH2 ARG A 62 4.155 -23.248 -9.519 1.00 0.00 N ATOM 0 H ARG A 62 1.025 -16.617 -11.460 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.322 -18.931 -12.287 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.825 -19.652 -12.540 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.320 -18.064 -11.988 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.249 -18.930 -9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.893 -20.528 -10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.178 -19.426 -11.657 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.467 -19.299 -9.933 1.00 0.00 H new ATOM 0 HE ARG A 62 4.567 -21.719 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.234 -20.380 -8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.242 -21.925 -7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.525 -23.708 -10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.966 -23.792 -8.677 1.00 0.00 H new ATOM 1007 N ASP A 63 -0.196 -18.518 -9.074 1.00 0.00 N ATOM 1008 CA ASP A 63 -0.640 -19.057 -7.795 1.00 0.00 C ATOM 1009 C ASP A 63 -1.623 -18.107 -7.130 1.00 0.00 C ATOM 1010 O ASP A 63 -1.381 -16.902 -7.047 1.00 0.00 O ATOM 1011 CB ASP A 63 0.558 -19.273 -6.872 1.00 0.00 C ATOM 1012 CG ASP A 63 0.400 -20.582 -6.108 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -0.160 -20.549 -5.025 1.00 0.00 O ATOM 1014 OD2 ASP A 63 0.841 -21.598 -6.617 1.00 0.00 O ATOM 0 H ASP A 63 0.119 -17.548 -9.040 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.134 -20.011 -7.978 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.478 -19.292 -7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.642 -18.442 -6.172 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.735 -18.656 -6.658 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.747 -17.845 -6.004 1.00 0.00 C ATOM 1021 C LYS A 64 -3.179 -17.204 -4.748 1.00 0.00 C ATOM 1022 O LYS A 64 -3.522 -16.079 -4.405 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.964 -18.719 -5.654 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.902 -18.008 -4.659 1.00 0.00 C ATOM 1025 CD LYS A 64 -6.387 -16.668 -5.234 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.886 -16.505 -4.967 1.00 0.00 C ATOM 1027 NZ LYS A 64 -8.116 -16.428 -3.499 1.00 0.00 N ATOM 0 H LYS A 64 -2.956 -19.650 -6.716 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.061 -17.052 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.513 -18.961 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.625 -19.662 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.758 -18.646 -4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.380 -17.838 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.835 -15.845 -4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.192 -16.629 -6.306 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.258 -15.603 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.436 -17.345 -5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.638 -17.271 -3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.201 -16.383 -3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.670 -15.576 -3.279 1.00 0.00 H new ATOM 1041 N ASN A 65 -2.314 -17.920 -4.053 1.00 0.00 N ATOM 1042 CA ASN A 65 -1.730 -17.393 -2.834 1.00 0.00 C ATOM 1043 C ASN A 65 -0.759 -16.262 -3.152 1.00 0.00 C ATOM 1044 O ASN A 65 -0.553 -15.353 -2.341 1.00 0.00 O ATOM 1045 CB ASN A 65 -1.006 -18.513 -2.084 1.00 0.00 C ATOM 1046 CG ASN A 65 -1.798 -18.893 -0.837 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -2.259 -20.027 -0.716 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -1.988 -18.005 0.101 1.00 0.00 N ATOM 0 H ASN A 65 -2.003 -18.857 -4.308 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.527 -16.995 -2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.890 -19.382 -2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.004 -18.188 -1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.520 -18.251 0.936 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.605 -17.065 -0.001 1.00 0.00 H new ATOM 1055 N ALA A 66 -0.165 -16.323 -4.335 1.00 0.00 N ATOM 1056 CA ALA A 66 0.788 -15.303 -4.740 1.00 0.00 C ATOM 1057 C ALA A 66 0.089 -13.997 -5.072 1.00 0.00 C ATOM 1058 O ALA A 66 0.315 -12.969 -4.425 1.00 0.00 O ATOM 1059 CB ALA A 66 1.542 -15.783 -5.970 1.00 0.00 C ATOM 0 H ALA A 66 -0.324 -17.059 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 66 1.474 -15.129 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.258 -15.021 -6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.072 -16.706 -5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.837 -15.967 -6.781 1.00 0.00 H new ATOM 1065 N LEU A 67 -0.776 -14.021 -6.073 1.00 0.00 N ATOM 1066 CA LEU A 67 -1.469 -12.802 -6.429 1.00 0.00 C ATOM 1067 C LEU A 67 -2.168 -12.259 -5.189 1.00 0.00 C ATOM 1068 O LEU A 67 -2.305 -11.047 -5.030 1.00 0.00 O ATOM 1069 CB LEU A 67 -2.452 -13.022 -7.604 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.910 -12.927 -7.138 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -4.842 -12.991 -8.338 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -4.185 -14.103 -6.212 1.00 0.00 C ATOM 0 H LEU A 67 -1.007 -14.841 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.748 -12.065 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.267 -12.279 -8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.274 -14.000 -8.051 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.079 -11.984 -6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.876 -12.923 -8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.625 -12.162 -9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.694 -13.934 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.217 -14.059 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.022 -15.036 -6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.512 -14.057 -5.355 1.00 0.00 H new ATOM 1084 N GLN A 68 -2.626 -13.158 -4.312 1.00 0.00 N ATOM 1085 CA GLN A 68 -3.320 -12.722 -3.114 1.00 0.00 C ATOM 1086 C GLN A 68 -2.392 -11.864 -2.255 1.00 0.00 C ATOM 1087 O GLN A 68 -2.742 -10.745 -1.832 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.815 -13.916 -2.285 1.00 0.00 C ATOM 1089 CG GLN A 68 -5.315 -14.146 -2.529 1.00 0.00 C ATOM 1090 CD GLN A 68 -6.148 -13.184 -1.709 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -6.174 -11.938 -2.072 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -6.782 -13.569 -0.727 1.00 0.00 N flip ATOM 0 H GLN A 68 -2.528 -14.168 -4.412 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.185 -12.137 -3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.254 -14.811 -2.553 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.635 -13.732 -1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.540 -14.017 -3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.577 -15.172 -2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.752 -14.551 -0.454 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.337 -12.906 -0.186 1.00 0.00 H new ATOM 1101 N ASN A 69 -1.198 -12.401 -1.997 1.00 0.00 N ATOM 1102 CA ASN A 69 -0.222 -11.689 -1.193 1.00 0.00 C ATOM 1103 C ASN A 69 -0.079 -10.263 -1.691 1.00 0.00 C ATOM 1104 O ASN A 69 -0.004 -9.321 -0.900 1.00 0.00 O ATOM 1105 CB ASN A 69 1.137 -12.394 -1.251 1.00 0.00 C ATOM 1106 CG ASN A 69 2.072 -11.693 -2.238 1.00 0.00 C ATOM 1107 OD1 ASN A 69 1.778 -11.607 -3.421 1.00 0.00 O ATOM 1108 ND2 ASN A 69 3.198 -11.187 -1.828 1.00 0.00 N ATOM 0 H ASN A 69 -0.893 -13.315 -2.331 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.569 -11.677 -0.160 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.589 -12.404 -0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.000 -13.433 -1.549 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.822 -10.726 -2.491 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.457 -11.251 -0.844 1.00 0.00 H new ATOM 1115 N ILE A 70 -0.038 -10.112 -3.008 1.00 0.00 N ATOM 1116 CA ILE A 70 0.104 -8.781 -3.594 1.00 0.00 C ATOM 1117 C ILE A 70 -1.159 -7.951 -3.369 1.00 0.00 C ATOM 1118 O ILE A 70 -1.077 -6.766 -3.052 1.00 0.00 O ATOM 1119 CB ILE A 70 0.402 -8.886 -5.087 1.00 0.00 C ATOM 1120 CG1 ILE A 70 1.860 -9.310 -5.306 1.00 0.00 C ATOM 1121 CG2 ILE A 70 0.170 -7.523 -5.735 1.00 0.00 C ATOM 1122 CD1 ILE A 70 1.896 -10.542 -6.208 1.00 0.00 C ATOM 0 H ILE A 70 -0.099 -10.876 -3.681 1.00 0.00 H new ATOM 0 HA ILE A 70 0.938 -8.281 -3.102 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.255 -9.632 -5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.424 -8.495 -5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.334 -9.531 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.380 -7.587 -6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.867 -7.221 -5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.831 -6.786 -5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.930 -10.847 -6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.346 -11.356 -5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.437 -10.304 -7.168 1.00 0.00 H new ATOM 1134 N ILE A 71 -2.326 -8.573 -3.520 1.00 0.00 N ATOM 1135 CA ILE A 71 -3.575 -7.879 -3.312 1.00 0.00 C ATOM 1136 C ILE A 71 -3.502 -7.060 -2.030 1.00 0.00 C ATOM 1137 O ILE A 71 -3.849 -5.880 -2.019 1.00 0.00 O ATOM 1138 CB ILE A 71 -4.694 -8.936 -3.251 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -5.772 -8.654 -4.278 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.374 -8.989 -1.887 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.315 -9.036 -5.676 1.00 0.00 C ATOM 0 H ILE A 71 -2.423 -9.553 -3.785 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.781 -7.184 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.204 -9.889 -3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.674 -9.210 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.032 -7.596 -4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.154 -9.750 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.637 -9.236 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.817 -8.019 -1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.110 -8.822 -6.390 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.427 -8.461 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.079 -10.100 -5.704 1.00 0.00 H new ATOM 1153 N LEU A 72 -3.057 -7.685 -0.944 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.971 -6.958 0.321 1.00 0.00 C ATOM 1155 C LEU A 72 -1.984 -5.809 0.225 1.00 0.00 C ATOM 1156 O LEU A 72 -1.999 -4.898 1.054 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.539 -7.886 1.442 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.597 -8.974 1.601 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.944 -10.339 1.435 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.250 -8.893 2.983 1.00 0.00 C ATOM 0 H LEU A 72 -2.759 -8.660 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.963 -6.560 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.570 -8.330 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.424 -7.329 2.372 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.364 -8.830 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.697 -11.119 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.495 -10.409 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.172 -10.468 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.001 -9.677 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.490 -9.025 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.724 -7.919 3.105 1.00 0.00 H new ATOM 1172 N TYR A 73 -1.124 -5.860 -0.782 1.00 0.00 N ATOM 1173 CA TYR A 73 -0.130 -4.820 -0.966 1.00 0.00 C ATOM 1174 C TYR A 73 0.452 -4.381 0.380 1.00 0.00 C ATOM 1175 O TYR A 73 0.595 -3.187 0.644 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.762 -3.628 -1.691 1.00 0.00 C ATOM 1177 CG TYR A 73 -0.540 -3.783 -3.170 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -1.568 -4.257 -3.987 1.00 0.00 C ATOM 1179 CD2 TYR A 73 0.697 -3.445 -3.726 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -1.360 -4.391 -5.361 1.00 0.00 C ATOM 1181 CE2 TYR A 73 0.907 -3.581 -5.101 1.00 0.00 C ATOM 1182 CZ TYR A 73 -0.124 -4.054 -5.919 1.00 0.00 C ATOM 1183 OH TYR A 73 0.078 -4.189 -7.277 1.00 0.00 O ATOM 0 H TYR A 73 -1.096 -6.605 -1.478 1.00 0.00 H new ATOM 0 HA TYR A 73 0.686 -5.215 -1.571 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.829 -3.577 -1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.320 -2.696 -1.339 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.523 -4.520 -3.557 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.491 -3.078 -3.093 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.156 -4.756 -5.994 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.863 -3.321 -5.531 1.00 0.00 H new ATOM 0 HH TYR A 73 0.991 -3.911 -7.501 1.00 0.00 H new ATOM 1193 N HIS A 74 0.776 -5.358 1.234 1.00 0.00 N ATOM 1194 CA HIS A 74 1.342 -5.056 2.549 1.00 0.00 C ATOM 1195 C HIS A 74 0.320 -4.360 3.437 1.00 0.00 C ATOM 1196 O HIS A 74 0.629 -3.356 4.077 1.00 0.00 O ATOM 1197 CB HIS A 74 2.598 -4.183 2.415 1.00 0.00 C ATOM 1198 CG HIS A 74 3.575 -4.860 1.496 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.303 -5.093 0.155 1.00 0.00 N ATOM 1200 CD2 HIS A 74 4.827 -5.371 1.717 1.00 0.00 C ATOM 1201 CE1 HIS A 74 4.368 -5.724 -0.371 1.00 0.00 C ATOM 1202 NE2 HIS A 74 5.327 -5.918 0.539 1.00 0.00 N ATOM 0 H HIS A 74 0.657 -6.352 1.040 1.00 0.00 H new ATOM 0 HA HIS A 74 1.619 -6.002 3.014 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.333 -3.201 2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.051 -4.024 3.394 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.348 -5.352 2.663 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.439 -6.036 -1.403 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.231 -6.370 0.400 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.893 -4.908 3.486 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.934 -4.329 4.327 1.00 0.00 C ATOM 1213 C LEU A 75 -1.502 -4.432 5.776 1.00 0.00 C ATOM 1214 O LEU A 75 -1.258 -5.533 6.269 1.00 0.00 O ATOM 1215 CB LEU A 75 -3.264 -5.069 4.123 1.00 0.00 C ATOM 1216 CG LEU A 75 -4.245 -4.773 5.271 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -4.436 -3.270 5.422 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.593 -5.410 4.953 1.00 0.00 C ATOM 0 H LEU A 75 -1.174 -5.737 2.963 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.081 -3.284 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.709 -4.769 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.081 -6.142 4.064 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.842 -5.181 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.132 -3.072 6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.477 -2.802 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.836 -2.859 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.293 -5.204 5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.981 -4.995 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.470 -6.488 4.845 1.00 0.00 H new ATOM 1230 N THR A 76 -1.400 -3.293 6.451 1.00 0.00 N ATOM 1231 CA THR A 76 -0.981 -3.300 7.847 1.00 0.00 C ATOM 1232 C THR A 76 -2.085 -2.761 8.757 1.00 0.00 C ATOM 1233 O THR A 76 -2.939 -2.027 8.282 1.00 0.00 O ATOM 1234 CB THR A 76 0.302 -2.460 8.017 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.239 -3.190 8.792 1.00 0.00 O ATOM 1236 CG2 THR A 76 -0.005 -1.141 8.729 1.00 0.00 C ATOM 0 H THR A 76 -1.597 -2.370 6.064 1.00 0.00 H new ATOM 0 HA THR A 76 -0.777 -4.331 8.136 1.00 0.00 H new ATOM 0 HB THR A 76 0.709 -2.244 7.029 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.056 -2.660 8.901 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.913 -0.564 8.839 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.724 -0.570 8.142 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.423 -1.348 9.714 1.00 0.00 H new ATOM 1244 N PRO A 77 -2.085 -3.066 10.049 1.00 0.00 N ATOM 1245 CA PRO A 77 -3.102 -2.561 10.999 1.00 0.00 C ATOM 1246 C PRO A 77 -2.616 -1.311 11.737 1.00 0.00 C ATOM 1247 O PRO A 77 -1.415 -1.144 11.957 1.00 0.00 O ATOM 1248 CB PRO A 77 -3.271 -3.732 11.977 1.00 0.00 C ATOM 1249 CG PRO A 77 -2.089 -4.636 11.764 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.148 -3.923 10.788 1.00 0.00 C ATOM 0 HA PRO A 77 -4.027 -2.264 10.505 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.307 -3.376 13.007 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.205 -4.263 11.790 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.584 -4.838 12.708 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.407 -5.597 11.360 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.383 -3.344 11.305 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.629 -4.623 10.133 1.00 0.00 H new ATOM 1258 N GLY A 78 -3.545 -0.445 12.122 1.00 0.00 N ATOM 1259 CA GLY A 78 -3.181 0.774 12.838 1.00 0.00 C ATOM 1260 C GLY A 78 -2.492 1.764 11.909 1.00 0.00 C ATOM 1261 O GLY A 78 -1.375 1.526 11.446 1.00 0.00 O ATOM 0 H GLY A 78 -4.544 -0.560 11.954 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.074 1.230 13.265 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.520 0.529 13.669 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.165 2.873 11.640 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.611 3.895 10.760 1.00 0.00 C ATOM 1267 C VAL A 79 -1.197 4.268 11.189 1.00 0.00 C ATOM 1268 O VAL A 79 -0.871 4.254 12.375 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.495 5.144 10.792 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -4.901 4.779 10.316 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -3.569 5.688 12.222 1.00 0.00 C ATOM 0 H VAL A 79 -4.089 3.089 12.015 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.578 3.493 9.747 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.070 5.905 10.138 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.534 5.666 10.337 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.852 4.393 9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.321 4.017 10.973 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.199 6.577 12.241 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.993 4.929 12.879 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.567 5.946 12.565 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.362 4.605 10.212 1.00 0.00 N ATOM 1282 CA PHE A 80 1.014 4.985 10.497 1.00 0.00 C ATOM 1283 C PHE A 80 1.090 6.471 10.837 1.00 0.00 C ATOM 1284 O PHE A 80 0.499 7.302 10.147 1.00 0.00 O ATOM 1285 CB PHE A 80 1.902 4.700 9.288 1.00 0.00 C ATOM 1286 CG PHE A 80 2.371 6.008 8.703 1.00 0.00 C ATOM 1287 CD1 PHE A 80 1.688 6.571 7.621 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.482 6.661 9.251 1.00 0.00 C ATOM 1289 CE1 PHE A 80 2.117 7.791 7.082 1.00 0.00 C ATOM 1290 CE2 PHE A 80 3.912 7.879 8.713 1.00 0.00 C ATOM 1291 CZ PHE A 80 3.229 8.444 7.629 1.00 0.00 C ATOM 0 H PHE A 80 -0.613 4.622 9.223 1.00 0.00 H new ATOM 0 HA PHE A 80 1.363 4.400 11.348 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.757 4.092 9.584 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.349 4.130 8.541 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.831 6.066 7.201 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.007 6.225 10.088 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.591 8.227 6.246 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.770 8.383 9.133 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.560 9.385 7.214 1.00 0.00 H new ATOM 1301 N ILE A 81 1.821 6.798 11.902 1.00 0.00 N ATOM 1302 CA ILE A 81 1.967 8.189 12.323 1.00 0.00 C ATOM 1303 C ILE A 81 3.442 8.577 12.380 1.00 0.00 C ATOM 1304 O ILE A 81 4.241 7.920 13.050 1.00 0.00 O ATOM 1305 CB ILE A 81 1.338 8.385 13.702 1.00 0.00 C ATOM 1306 CG1 ILE A 81 0.172 7.407 13.872 1.00 0.00 C ATOM 1307 CG2 ILE A 81 0.823 9.820 13.832 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -0.575 7.719 15.170 1.00 0.00 C ATOM 0 H ILE A 81 2.318 6.124 12.485 1.00 0.00 H new ATOM 0 HA ILE A 81 1.460 8.824 11.597 1.00 0.00 H new ATOM 0 HB ILE A 81 2.086 8.199 14.472 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.507 7.484 13.023 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.544 6.382 13.892 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.375 9.958 14.816 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.652 10.517 13.710 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.074 10.009 13.063 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.404 7.022 15.289 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.107 7.620 16.015 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.960 8.738 15.132 1.00 0.00 H new ATOM 1320 N GLY A 82 3.798 9.648 11.679 1.00 0.00 N ATOM 1321 CA GLY A 82 5.181 10.115 11.661 1.00 0.00 C ATOM 1322 C GLY A 82 5.456 11.062 12.824 1.00 0.00 C ATOM 1323 O GLY A 82 6.474 11.753 12.845 1.00 0.00 O ATOM 0 H GLY A 82 3.154 10.206 11.119 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.857 9.262 11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.384 10.623 10.718 1.00 0.00 H new ATOM 1327 N LYS A 83 4.539 11.086 13.790 1.00 0.00 N ATOM 1328 CA LYS A 83 4.686 11.951 14.960 1.00 0.00 C ATOM 1329 C LYS A 83 4.710 11.123 16.239 1.00 0.00 C ATOM 1330 O LYS A 83 4.387 11.620 17.318 1.00 0.00 O ATOM 1331 CB LYS A 83 3.528 12.949 15.019 1.00 0.00 C ATOM 1332 CG LYS A 83 3.214 13.452 13.607 1.00 0.00 C ATOM 1333 CD LYS A 83 2.736 14.907 13.666 1.00 0.00 C ATOM 1334 CE LYS A 83 3.945 15.844 13.618 1.00 0.00 C ATOM 1335 NZ LYS A 83 3.483 17.258 13.729 1.00 0.00 N ATOM 0 H LYS A 83 3.691 10.520 13.786 1.00 0.00 H new ATOM 0 HA LYS A 83 5.629 12.491 14.873 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.647 12.475 15.452 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.789 13.787 15.665 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.102 13.377 12.979 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.447 12.826 13.151 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.068 15.115 12.831 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.167 15.077 14.580 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.632 15.610 14.431 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.493 15.701 12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.304 17.895 13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.843 17.477 12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.979 17.389 14.629 1.00 0.00 H new ATOM 1349 N GLY A 84 5.093 9.857 16.112 1.00 0.00 N ATOM 1350 CA GLY A 84 5.154 8.969 17.267 1.00 0.00 C ATOM 1351 C GLY A 84 6.274 7.948 17.113 1.00 0.00 C ATOM 1352 O GLY A 84 6.423 7.052 17.943 1.00 0.00 O ATOM 0 H GLY A 84 5.364 9.425 15.228 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.313 9.555 18.172 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.201 8.453 17.384 1.00 0.00 H new ATOM 1356 N PHE A 85 7.061 8.094 16.049 1.00 0.00 N ATOM 1357 CA PHE A 85 8.172 7.180 15.793 1.00 0.00 C ATOM 1358 C PHE A 85 9.492 7.947 15.747 1.00 0.00 C ATOM 1359 O PHE A 85 9.503 9.168 15.587 1.00 0.00 O ATOM 1360 CB PHE A 85 7.952 6.448 14.467 1.00 0.00 C ATOM 1361 CG PHE A 85 7.523 5.028 14.748 1.00 0.00 C ATOM 1362 CD1 PHE A 85 6.246 4.591 14.373 1.00 0.00 C ATOM 1363 CD2 PHE A 85 8.402 4.149 15.391 1.00 0.00 C ATOM 1364 CE1 PHE A 85 5.849 3.275 14.642 1.00 0.00 C ATOM 1365 CE2 PHE A 85 8.006 2.833 15.659 1.00 0.00 C ATOM 1366 CZ PHE A 85 6.729 2.397 15.285 1.00 0.00 C ATOM 0 H PHE A 85 6.951 8.832 15.354 1.00 0.00 H new ATOM 0 HA PHE A 85 8.217 6.451 16.602 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.192 6.960 13.877 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.869 6.454 13.878 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.568 5.269 13.876 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.386 4.486 15.681 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.864 2.938 14.353 1.00 0.00 H new ATOM 0 HE2 PHE A 85 8.685 2.155 16.154 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.423 1.382 15.493 1.00 0.00 H new ATOM 1376 N GLU A 86 10.602 7.227 15.897 1.00 0.00 N ATOM 1377 CA GLU A 86 11.912 7.864 15.877 1.00 0.00 C ATOM 1378 C GLU A 86 12.356 8.151 14.430 1.00 0.00 C ATOM 1379 O GLU A 86 12.423 7.224 13.617 1.00 0.00 O ATOM 1380 CB GLU A 86 12.939 6.947 16.546 1.00 0.00 C ATOM 1381 CG GLU A 86 14.314 7.622 16.520 1.00 0.00 C ATOM 1382 CD GLU A 86 15.304 6.834 17.372 1.00 0.00 C ATOM 1383 OE1 GLU A 86 14.946 5.756 17.820 1.00 0.00 O ATOM 1384 OE2 GLU A 86 16.406 7.319 17.561 1.00 0.00 O ATOM 0 H GLU A 86 10.619 6.216 16.032 1.00 0.00 H new ATOM 0 HA GLU A 86 11.846 8.807 16.419 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.643 6.739 17.574 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.981 5.990 16.027 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.676 7.686 15.494 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.233 8.643 16.894 1.00 0.00 H new ATOM 1391 N PRO A 87 12.676 9.390 14.089 1.00 0.00 N ATOM 1392 CA PRO A 87 13.137 9.740 12.711 1.00 0.00 C ATOM 1393 C PRO A 87 14.605 9.381 12.491 1.00 0.00 C ATOM 1394 O PRO A 87 15.386 9.321 13.439 1.00 0.00 O ATOM 1395 CB PRO A 87 12.933 11.251 12.642 1.00 0.00 C ATOM 1396 CG PRO A 87 13.096 11.728 14.047 1.00 0.00 C ATOM 1397 CD PRO A 87 12.632 10.591 14.957 1.00 0.00 C ATOM 0 HA PRO A 87 12.592 9.193 11.942 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.662 11.718 11.980 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.945 11.498 12.253 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.136 11.985 14.250 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.505 12.627 14.221 1.00 0.00 H new ATOM 0 HD2 PRO A 87 13.286 10.481 15.822 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.627 10.771 15.338 1.00 0.00 H new ATOM 1405 N GLY A 88 14.972 9.146 11.235 1.00 0.00 N ATOM 1406 CA GLY A 88 16.350 8.797 10.907 1.00 0.00 C ATOM 1407 C GLY A 88 16.550 7.286 10.918 1.00 0.00 C ATOM 1408 O GLY A 88 17.254 6.735 10.071 1.00 0.00 O ATOM 0 H GLY A 88 14.341 9.190 10.435 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.605 9.194 9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 88 17.027 9.262 11.624 1.00 0.00 H new ATOM 1412 N VAL A 89 15.926 6.618 11.883 1.00 0.00 N ATOM 1413 CA VAL A 89 16.042 5.173 11.994 1.00 0.00 C ATOM 1414 C VAL A 89 14.820 4.489 11.395 1.00 0.00 C ATOM 1415 O VAL A 89 13.717 5.035 11.418 1.00 0.00 O ATOM 1416 CB VAL A 89 16.184 4.775 13.462 1.00 0.00 C ATOM 1417 CG1 VAL A 89 17.207 5.683 14.149 1.00 0.00 C ATOM 1418 CG2 VAL A 89 14.831 4.914 14.161 1.00 0.00 C ATOM 0 H VAL A 89 15.339 7.053 12.594 1.00 0.00 H new ATOM 0 HA VAL A 89 16.927 4.854 11.443 1.00 0.00 H new ATOM 0 HB VAL A 89 16.523 3.741 13.522 1.00 0.00 H new ATOM 0 HG11 VAL A 89 17.304 5.395 15.196 1.00 0.00 H new ATOM 0 HG12 VAL A 89 18.173 5.583 13.654 1.00 0.00 H new ATOM 0 HG13 VAL A 89 16.873 6.719 14.087 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.932 4.630 15.209 1.00 0.00 H new ATOM 0 HG22 VAL A 89 14.493 5.948 14.096 1.00 0.00 H new ATOM 0 HG23 VAL A 89 14.103 4.263 13.677 1.00 0.00 H new ATOM 1428 N THR A 90 15.025 3.293 10.854 1.00 0.00 N ATOM 1429 CA THR A 90 13.933 2.544 10.248 1.00 0.00 C ATOM 1430 C THR A 90 13.113 1.818 11.304 1.00 0.00 C ATOM 1431 O THR A 90 13.634 1.447 12.358 1.00 0.00 O ATOM 1432 CB THR A 90 14.465 1.544 9.225 1.00 0.00 C ATOM 1433 OG1 THR A 90 15.859 1.755 9.038 1.00 0.00 O ATOM 1434 CG2 THR A 90 13.732 1.735 7.893 1.00 0.00 C ATOM 0 H THR A 90 15.931 2.825 10.823 1.00 0.00 H new ATOM 0 HA THR A 90 13.286 3.259 9.739 1.00 0.00 H new ATOM 0 HB THR A 90 14.297 0.529 9.586 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.202 1.112 8.383 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.112 1.021 7.163 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.664 1.571 8.039 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.897 2.749 7.529 1.00 0.00 H new ATOM 1442 N ASN A 91 11.825 1.622 11.014 1.00 0.00 N ATOM 1443 CA ASN A 91 10.935 0.942 11.955 1.00 0.00 C ATOM 1444 C ASN A 91 10.326 -0.300 11.313 1.00 0.00 C ATOM 1445 O ASN A 91 9.680 -0.217 10.271 1.00 0.00 O ATOM 1446 CB ASN A 91 9.821 1.889 12.406 1.00 0.00 C ATOM 1447 CG ASN A 91 10.267 3.339 12.245 1.00 0.00 C ATOM 1448 OD1 ASN A 91 9.688 4.083 11.452 1.00 0.00 O ATOM 1449 ND2 ASN A 91 11.264 3.789 12.956 1.00 0.00 N ATOM 0 H ASN A 91 11.380 1.921 10.146 1.00 0.00 H new ATOM 0 HA ASN A 91 11.520 0.638 12.823 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.921 1.710 11.818 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.566 1.693 13.447 1.00 0.00 H new ATOM 0 HD21 ASN A 91 11.565 4.758 12.856 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.742 3.172 13.612 1.00 0.00 H new ATOM 1456 N ILE A 92 10.539 -1.448 11.947 1.00 0.00 N ATOM 1457 CA ILE A 92 10.012 -2.708 11.434 1.00 0.00 C ATOM 1458 C ILE A 92 8.537 -2.858 11.789 1.00 0.00 C ATOM 1459 O ILE A 92 8.184 -3.015 12.959 1.00 0.00 O ATOM 1460 CB ILE A 92 10.796 -3.882 12.027 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.294 -3.555 12.027 1.00 0.00 C ATOM 1462 CG2 ILE A 92 10.546 -5.136 11.187 1.00 0.00 C ATOM 1463 CD1 ILE A 92 12.721 -3.066 10.641 1.00 0.00 C ATOM 0 H ILE A 92 11.071 -1.533 12.813 1.00 0.00 H new ATOM 0 HA ILE A 92 10.117 -2.706 10.349 1.00 0.00 H new ATOM 0 HB ILE A 92 10.466 -4.057 13.051 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.508 -2.790 12.774 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.868 -4.440 12.303 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.103 -5.973 11.608 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.482 -5.370 11.191 1.00 0.00 H new ATOM 0 HG23 ILE A 92 10.875 -4.959 10.163 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.786 -2.836 10.649 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.523 -3.844 9.904 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.158 -2.169 10.382 1.00 0.00 H new ATOM 1475 N LEU A 93 7.682 -2.808 10.771 1.00 0.00 N ATOM 1476 CA LEU A 93 6.249 -2.941 10.978 1.00 0.00 C ATOM 1477 C LEU A 93 5.735 -4.227 10.355 1.00 0.00 C ATOM 1478 O LEU A 93 6.041 -4.540 9.204 1.00 0.00 O ATOM 1479 CB LEU A 93 5.514 -1.751 10.356 1.00 0.00 C ATOM 1480 CG LEU A 93 5.342 -0.640 11.398 1.00 0.00 C ATOM 1481 CD1 LEU A 93 6.699 -0.009 11.735 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.406 0.434 10.841 1.00 0.00 C ATOM 0 H LEU A 93 7.959 -2.677 9.798 1.00 0.00 H new ATOM 0 HA LEU A 93 6.062 -2.966 12.052 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.073 -1.375 9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.539 -2.068 9.986 1.00 0.00 H new ATOM 0 HG LEU A 93 4.918 -1.068 12.306 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.560 0.778 12.476 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.365 -0.772 12.137 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.137 0.416 10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.281 1.226 11.579 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.833 0.852 9.929 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.436 -0.009 10.617 1.00 0.00 H new ATOM 1494 N LYS A 94 4.945 -4.963 11.123 1.00 0.00 N ATOM 1495 CA LYS A 94 4.383 -6.212 10.639 1.00 0.00 C ATOM 1496 C LYS A 94 3.049 -5.961 9.951 1.00 0.00 C ATOM 1497 O LYS A 94 2.154 -5.342 10.527 1.00 0.00 O ATOM 1498 CB LYS A 94 4.187 -7.184 11.801 1.00 0.00 C ATOM 1499 CG LYS A 94 3.631 -6.435 13.018 1.00 0.00 C ATOM 1500 CD LYS A 94 3.144 -7.435 14.079 1.00 0.00 C ATOM 1501 CE LYS A 94 4.334 -8.068 14.811 1.00 0.00 C ATOM 1502 NZ LYS A 94 4.303 -7.658 16.244 1.00 0.00 N ATOM 0 H LYS A 94 4.681 -4.718 12.077 1.00 0.00 H new ATOM 0 HA LYS A 94 5.076 -6.648 9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.503 -7.980 11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.136 -7.656 12.056 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.402 -5.791 13.441 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.808 -5.789 12.712 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.498 -6.928 14.795 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.546 -8.213 13.605 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.290 -9.154 14.730 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.270 -7.752 14.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.108 -8.085 16.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.364 -6.622 16.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.415 -7.981 16.678 1.00 0.00 H new ATOM 1516 N THR A 95 2.924 -6.437 8.716 1.00 0.00 N ATOM 1517 CA THR A 95 1.689 -6.244 7.973 1.00 0.00 C ATOM 1518 C THR A 95 0.864 -7.523 7.936 1.00 0.00 C ATOM 1519 O THR A 95 1.395 -8.623 8.087 1.00 0.00 O ATOM 1520 CB THR A 95 1.985 -5.778 6.550 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.450 -6.877 5.780 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.046 -4.681 6.580 1.00 0.00 C ATOM 0 H THR A 95 3.651 -6.950 8.217 1.00 0.00 H new ATOM 0 HA THR A 95 1.112 -5.475 8.486 1.00 0.00 H new ATOM 0 HB THR A 95 1.075 -5.382 6.100 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.236 -7.271 6.213 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.256 -4.350 5.563 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.682 -3.839 7.168 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.959 -5.070 7.030 1.00 0.00 H new ATOM 1530 N THR A 96 -0.441 -7.363 7.743 1.00 0.00 N ATOM 1531 CA THR A 96 -1.346 -8.503 7.697 1.00 0.00 C ATOM 1532 C THR A 96 -0.939 -9.464 6.577 1.00 0.00 C ATOM 1533 O THR A 96 -1.162 -10.671 6.674 1.00 0.00 O ATOM 1534 CB THR A 96 -2.799 -8.015 7.511 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.630 -8.641 8.478 1.00 0.00 O ATOM 1536 CG2 THR A 96 -3.314 -8.362 6.118 1.00 0.00 C ATOM 0 H THR A 96 -0.893 -6.458 7.616 1.00 0.00 H new ATOM 0 HA THR A 96 -1.284 -9.045 8.641 1.00 0.00 H new ATOM 0 HB THR A 96 -2.819 -6.932 7.634 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.553 -8.333 8.365 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.339 -8.008 6.011 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.685 -7.883 5.368 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.287 -9.443 5.979 1.00 0.00 H new ATOM 1544 N GLN A 97 -0.340 -8.925 5.516 1.00 0.00 N ATOM 1545 CA GLN A 97 0.087 -9.741 4.388 1.00 0.00 C ATOM 1546 C GLN A 97 0.939 -10.913 4.864 1.00 0.00 C ATOM 1547 O GLN A 97 0.961 -11.969 4.230 1.00 0.00 O ATOM 1548 CB GLN A 97 0.905 -8.879 3.420 1.00 0.00 C ATOM 1549 CG GLN A 97 1.222 -9.678 2.152 1.00 0.00 C ATOM 1550 CD GLN A 97 2.132 -8.865 1.239 1.00 0.00 C ATOM 1551 OE1 GLN A 97 1.607 -8.014 0.401 1.00 0.00 O flip ATOM 1552 NE2 GLN A 97 3.354 -9.006 1.292 1.00 0.00 N flip ATOM 0 H GLN A 97 -0.141 -7.929 5.417 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.797 -10.133 3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.349 -7.978 3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.830 -8.557 3.898 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.705 -10.619 2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.299 -9.929 1.630 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.763 -9.672 1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.958 -8.457 0.680 1.00 0.00 H new ATOM 1561 N GLY A 98 1.631 -10.728 5.985 1.00 0.00 N ATOM 1562 CA GLY A 98 2.473 -11.784 6.541 1.00 0.00 C ATOM 1563 C GLY A 98 3.923 -11.330 6.638 1.00 0.00 C ATOM 1564 O GLY A 98 4.674 -11.802 7.493 1.00 0.00 O ATOM 0 H GLY A 98 1.626 -9.862 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.108 -12.062 7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.408 -12.674 5.915 1.00 0.00 H new ATOM 1568 N SER A 99 4.313 -10.415 5.758 1.00 0.00 N ATOM 1569 CA SER A 99 5.678 -9.909 5.757 1.00 0.00 C ATOM 1570 C SER A 99 5.774 -8.613 6.558 1.00 0.00 C ATOM 1571 O SER A 99 4.756 -8.042 6.958 1.00 0.00 O ATOM 1572 CB SER A 99 6.143 -9.659 4.321 1.00 0.00 C ATOM 1573 OG SER A 99 7.491 -10.084 4.184 1.00 0.00 O ATOM 0 H SER A 99 3.708 -10.012 5.042 1.00 0.00 H new ATOM 0 HA SER A 99 6.320 -10.657 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.506 -10.200 3.621 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.057 -8.600 4.078 1.00 0.00 H new ATOM 0 HG SER A 99 7.938 -9.539 3.503 1.00 0.00 H new ATOM 1579 N LYS A 100 7.003 -8.159 6.786 1.00 0.00 N ATOM 1580 CA LYS A 100 7.233 -6.931 7.538 1.00 0.00 C ATOM 1581 C LYS A 100 7.769 -5.838 6.623 1.00 0.00 C ATOM 1582 O LYS A 100 8.455 -6.121 5.642 1.00 0.00 O ATOM 1583 CB LYS A 100 8.229 -7.185 8.671 1.00 0.00 C ATOM 1584 CG LYS A 100 9.235 -8.251 8.234 1.00 0.00 C ATOM 1585 CD LYS A 100 10.433 -8.245 9.186 1.00 0.00 C ATOM 1586 CE LYS A 100 11.322 -9.456 8.896 1.00 0.00 C ATOM 1587 NZ LYS A 100 11.137 -10.475 9.968 1.00 0.00 N ATOM 0 H LYS A 100 7.852 -8.622 6.462 1.00 0.00 H new ATOM 0 HA LYS A 100 6.283 -6.605 7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.749 -6.262 8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.702 -7.512 9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.763 -9.233 8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.567 -8.056 7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.003 -7.324 9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.089 -8.272 10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.068 -9.883 7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.367 -9.150 8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.741 -11.299 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.400 -10.064 10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.141 -10.774 9.994 1.00 0.00 H new ATOM 1601 N ILE A 101 7.442 -4.593 6.953 1.00 0.00 N ATOM 1602 CA ILE A 101 7.884 -3.455 6.158 1.00 0.00 C ATOM 1603 C ILE A 101 8.665 -2.468 7.021 1.00 0.00 C ATOM 1604 O ILE A 101 8.314 -2.227 8.175 1.00 0.00 O ATOM 1605 CB ILE A 101 6.673 -2.764 5.537 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.148 -1.640 4.616 1.00 0.00 C ATOM 1607 CG2 ILE A 101 5.786 -2.186 6.642 1.00 0.00 C ATOM 1608 CD1 ILE A 101 5.953 -1.067 3.851 1.00 0.00 C ATOM 0 H ILE A 101 6.874 -4.348 7.764 1.00 0.00 H new ATOM 0 HA ILE A 101 8.542 -3.813 5.366 1.00 0.00 H new ATOM 0 HB ILE A 101 6.098 -3.488 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.629 -0.856 5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.893 -2.019 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.922 -1.693 6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.447 -2.990 7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.356 -1.462 7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.292 -0.266 3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.491 -1.854 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.223 -0.673 4.558 1.00 0.00 H new ATOM 1620 N PHE A 102 9.735 -1.913 6.458 1.00 0.00 N ATOM 1621 CA PHE A 102 10.567 -0.965 7.190 1.00 0.00 C ATOM 1622 C PHE A 102 10.180 0.470 6.849 1.00 0.00 C ATOM 1623 O PHE A 102 10.175 0.862 5.680 1.00 0.00 O ATOM 1624 CB PHE A 102 12.040 -1.195 6.856 1.00 0.00 C ATOM 1625 CG PHE A 102 12.234 -2.606 6.355 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.011 -2.845 5.216 1.00 0.00 C ATOM 1627 CD2 PHE A 102 11.641 -3.677 7.035 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.196 -4.155 4.758 1.00 0.00 C ATOM 1629 CE2 PHE A 102 11.825 -4.985 6.576 1.00 0.00 C ATOM 1630 CZ PHE A 102 12.603 -5.225 5.437 1.00 0.00 C ATOM 0 H PHE A 102 10.044 -2.102 5.504 1.00 0.00 H new ATOM 0 HA PHE A 102 10.409 -1.124 8.257 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.367 -0.482 6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.654 -1.025 7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.468 -2.019 4.691 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.041 -3.493 7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.797 -4.340 3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.367 -5.810 7.100 1.00 0.00 H new ATOM 0 HZ PHE A 102 12.745 -6.235 5.083 1.00 0.00 H new ATOM 1640 N LEU A 103 9.845 1.245 7.879 1.00 0.00 N ATOM 1641 CA LEU A 103 9.438 2.635 7.687 1.00 0.00 C ATOM 1642 C LEU A 103 10.446 3.598 8.283 1.00 0.00 C ATOM 1643 O LEU A 103 10.998 3.354 9.353 1.00 0.00 O ATOM 1644 CB LEU A 103 8.085 2.870 8.357 1.00 0.00 C ATOM 1645 CG LEU A 103 6.937 2.567 7.389 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.798 3.696 6.367 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.192 1.234 6.683 1.00 0.00 C ATOM 0 H LEU A 103 9.847 0.935 8.851 1.00 0.00 H new ATOM 0 HA LEU A 103 9.373 2.816 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.997 2.238 9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.017 3.904 8.696 1.00 0.00 H new ATOM 0 HG LEU A 103 6.006 2.494 7.951 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.979 3.470 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.590 4.632 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.725 3.792 5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.372 1.024 5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.127 1.290 6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.258 0.437 7.424 1.00 0.00 H new ATOM 1659 N LYS A 104 10.669 4.698 7.574 1.00 0.00 N ATOM 1660 CA LYS A 104 11.604 5.714 8.022 1.00 0.00 C ATOM 1661 C LYS A 104 11.120 7.108 7.641 1.00 0.00 C ATOM 1662 O LYS A 104 10.686 7.342 6.518 1.00 0.00 O ATOM 1663 CB LYS A 104 12.981 5.451 7.405 1.00 0.00 C ATOM 1664 CG LYS A 104 13.833 6.726 7.464 1.00 0.00 C ATOM 1665 CD LYS A 104 15.316 6.408 7.205 1.00 0.00 C ATOM 1666 CE LYS A 104 15.640 6.576 5.715 1.00 0.00 C ATOM 1667 NZ LYS A 104 17.099 6.354 5.503 1.00 0.00 N ATOM 0 H LYS A 104 10.213 4.906 6.686 1.00 0.00 H new ATOM 0 HA LYS A 104 11.675 5.665 9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.481 4.644 7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.869 5.126 6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.476 7.442 6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.723 7.197 8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.947 7.070 7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.538 5.388 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.062 5.867 5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.359 7.574 5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.324 6.467 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.640 7.047 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.352 5.393 5.809 1.00 0.00 H new ATOM 1681 N GLU A 105 11.212 8.027 8.590 1.00 0.00 N ATOM 1682 CA GLU A 105 10.800 9.406 8.364 1.00 0.00 C ATOM 1683 C GLU A 105 11.966 10.357 8.613 1.00 0.00 C ATOM 1684 O GLU A 105 12.592 10.325 9.672 1.00 0.00 O ATOM 1685 CB GLU A 105 9.644 9.765 9.295 1.00 0.00 C ATOM 1686 CG GLU A 105 8.995 11.062 8.812 1.00 0.00 C ATOM 1687 CD GLU A 105 8.098 11.635 9.902 1.00 0.00 C ATOM 1688 OE1 GLU A 105 8.126 11.110 11.004 1.00 0.00 O ATOM 1689 OE2 GLU A 105 7.396 12.592 9.620 1.00 0.00 O ATOM 0 H GLU A 105 11.569 7.843 9.527 1.00 0.00 H new ATOM 0 HA GLU A 105 10.476 9.504 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.909 8.960 9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.007 9.884 10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.765 11.786 8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.411 10.872 7.912 1.00 0.00 H new ATOM 1696 N VAL A 106 12.251 11.202 7.628 1.00 0.00 N ATOM 1697 CA VAL A 106 13.342 12.164 7.739 1.00 0.00 C ATOM 1698 C VAL A 106 12.928 13.512 7.152 1.00 0.00 C ATOM 1699 O VAL A 106 12.230 13.570 6.142 1.00 0.00 O ATOM 1700 CB VAL A 106 14.574 11.646 6.997 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.545 12.802 6.747 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.263 10.574 7.842 1.00 0.00 C ATOM 0 H VAL A 106 11.742 11.240 6.745 1.00 0.00 H new ATOM 0 HA VAL A 106 13.580 12.293 8.795 1.00 0.00 H new ATOM 0 HB VAL A 106 14.269 11.217 6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.423 12.432 6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.054 13.566 6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 106 15.851 13.233 7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.142 10.204 7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.567 11.003 8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.572 9.750 8.019 1.00 0.00 H new ATOM 1712 N ASN A 107 13.364 14.593 7.792 1.00 0.00 N ATOM 1713 CA ASN A 107 13.030 15.935 7.323 1.00 0.00 C ATOM 1714 C ASN A 107 11.531 16.056 7.068 1.00 0.00 C ATOM 1715 O ASN A 107 11.105 16.651 6.077 1.00 0.00 O ATOM 1716 CB ASN A 107 13.796 16.246 6.036 1.00 0.00 C ATOM 1717 CG ASN A 107 15.274 16.455 6.348 1.00 0.00 C ATOM 1718 OD1 ASN A 107 15.764 16.008 7.470 1.00 0.00 O flip ATOM 1719 ND2 ASN A 107 16.002 17.042 5.546 1.00 0.00 N flip ATOM 0 H ASN A 107 13.945 14.568 8.630 1.00 0.00 H new ATOM 0 HA ASN A 107 13.314 16.650 8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.678 15.428 5.326 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.385 17.139 5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.617 17.391 4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.990 17.179 5.760 1.00 0.00 H new ATOM 1726 N ASP A 108 10.734 15.491 7.968 1.00 0.00 N ATOM 1727 CA ASP A 108 9.285 15.544 7.828 1.00 0.00 C ATOM 1728 C ASP A 108 8.847 14.847 6.546 1.00 0.00 C ATOM 1729 O ASP A 108 7.747 15.084 6.050 1.00 0.00 O ATOM 1730 CB ASP A 108 8.813 16.998 7.799 1.00 0.00 C ATOM 1731 CG ASP A 108 9.802 17.882 8.551 1.00 0.00 C ATOM 1732 OD1 ASP A 108 10.224 18.878 7.985 1.00 0.00 O ATOM 1733 OD2 ASP A 108 10.123 17.552 9.680 1.00 0.00 O ATOM 0 H ASP A 108 11.064 14.995 8.796 1.00 0.00 H new ATOM 0 HA ASP A 108 8.840 15.033 8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 108 8.720 17.338 6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.825 17.077 8.252 1.00 0.00 H new ATOM 1738 N THR A 109 9.714 13.986 6.019 1.00 0.00 N ATOM 1739 CA THR A 109 9.403 13.257 4.797 1.00 0.00 C ATOM 1740 C THR A 109 9.308 11.767 5.074 1.00 0.00 C ATOM 1741 O THR A 109 10.208 11.186 5.680 1.00 0.00 O ATOM 1742 CB THR A 109 10.488 13.479 3.745 1.00 0.00 C ATOM 1743 OG1 THR A 109 10.949 14.822 3.810 1.00 0.00 O ATOM 1744 CG2 THR A 109 9.899 13.208 2.370 1.00 0.00 C ATOM 0 H THR A 109 10.630 13.778 6.417 1.00 0.00 H new ATOM 0 HA THR A 109 8.447 13.629 4.428 1.00 0.00 H new ATOM 0 HB THR A 109 11.326 12.806 3.929 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.523 14.933 4.596 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.664 13.363 1.609 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.544 12.179 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.066 13.888 2.191 1.00 0.00 H new ATOM 1752 N LEU A 110 8.229 11.143 4.621 1.00 0.00 N ATOM 1753 CA LEU A 110 8.076 9.715 4.831 1.00 0.00 C ATOM 1754 C LEU A 110 8.933 8.953 3.838 1.00 0.00 C ATOM 1755 O LEU A 110 8.720 9.023 2.625 1.00 0.00 O ATOM 1756 CB LEU A 110 6.615 9.298 4.664 1.00 0.00 C ATOM 1757 CG LEU A 110 6.161 8.322 5.772 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.914 7.589 5.286 1.00 0.00 C ATOM 1759 CD2 LEU A 110 7.223 7.271 6.118 1.00 0.00 C ATOM 0 H LEU A 110 7.464 11.593 4.117 1.00 0.00 H new ATOM 0 HA LEU A 110 8.395 9.482 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.981 10.184 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.481 8.828 3.690 1.00 0.00 H new ATOM 0 HG LEU A 110 5.974 8.913 6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.577 6.894 6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.125 8.312 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.148 7.037 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.844 6.616 6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.453 6.680 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.128 7.769 6.467 1.00 0.00 H new ATOM 1771 N LEU A 111 9.890 8.221 4.376 1.00 0.00 N ATOM 1772 CA LEU A 111 10.790 7.425 3.562 1.00 0.00 C ATOM 1773 C LEU A 111 10.650 5.948 3.914 1.00 0.00 C ATOM 1774 O LEU A 111 10.869 5.553 5.055 1.00 0.00 O ATOM 1775 CB LEU A 111 12.224 7.891 3.776 1.00 0.00 C ATOM 1776 CG LEU A 111 12.449 9.123 2.909 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.438 10.070 3.555 1.00 0.00 C ATOM 1778 CD2 LEU A 111 13.012 8.676 1.580 1.00 0.00 C ATOM 0 H LEU A 111 10.065 8.161 5.379 1.00 0.00 H new ATOM 0 HA LEU A 111 10.531 7.554 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.396 8.127 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.926 7.102 3.507 1.00 0.00 H new ATOM 0 HG LEU A 111 11.499 9.642 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.580 10.941 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.055 10.391 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.392 9.561 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.180 9.546 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.957 8.157 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.306 8.003 1.094 1.00 0.00 H new ATOM 1790 N VAL A 112 10.275 5.140 2.932 1.00 0.00 N ATOM 1791 CA VAL A 112 10.097 3.703 3.167 1.00 0.00 C ATOM 1792 C VAL A 112 11.220 2.919 2.492 1.00 0.00 C ATOM 1793 O VAL A 112 11.531 3.153 1.325 1.00 0.00 O ATOM 1794 CB VAL A 112 8.725 3.234 2.646 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.215 4.177 1.553 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.822 1.807 2.086 1.00 0.00 C ATOM 0 H VAL A 112 10.089 5.443 1.976 1.00 0.00 H new ATOM 0 HA VAL A 112 10.135 3.518 4.241 1.00 0.00 H new ATOM 0 HB VAL A 112 8.025 3.244 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.245 3.830 1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.114 5.184 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.923 4.190 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.844 1.492 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.538 1.786 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.152 1.129 2.873 1.00 0.00 H new ATOM 1806 N ASN A 113 11.819 1.988 3.231 1.00 0.00 N ATOM 1807 CA ASN A 113 12.901 1.175 2.688 1.00 0.00 C ATOM 1808 C ASN A 113 14.068 2.055 2.239 1.00 0.00 C ATOM 1809 O ASN A 113 15.115 2.091 2.884 1.00 0.00 O ATOM 1810 CB ASN A 113 12.378 0.349 1.507 1.00 0.00 C ATOM 1811 CG ASN A 113 12.778 -1.113 1.671 1.00 0.00 C ATOM 1812 OD1 ASN A 113 11.943 -2.005 1.524 1.00 0.00 O ATOM 1813 ND2 ASN A 113 14.013 -1.413 1.966 1.00 0.00 N ATOM 0 H ASN A 113 11.575 1.780 4.199 1.00 0.00 H new ATOM 0 HA ASN A 113 13.262 0.505 3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.293 0.433 1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.780 0.741 0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 113 14.289 -2.389 2.075 1.00 0.00 H new ATOM 0 HD22 ASN A 113 14.703 -0.672 2.087 1.00 0.00 H new ATOM 1820 N GLU A 114 13.880 2.762 1.129 1.00 0.00 N ATOM 1821 CA GLU A 114 14.918 3.637 0.601 1.00 0.00 C ATOM 1822 C GLU A 114 14.384 4.446 -0.576 1.00 0.00 C ATOM 1823 O GLU A 114 15.070 4.622 -1.583 1.00 0.00 O ATOM 1824 CB GLU A 114 16.117 2.808 0.142 1.00 0.00 C ATOM 1825 CG GLU A 114 17.394 3.630 0.302 1.00 0.00 C ATOM 1826 CD GLU A 114 18.561 2.911 -0.364 1.00 0.00 C ATOM 1827 OE1 GLU A 114 18.615 1.696 -0.269 1.00 0.00 O ATOM 1828 OE2 GLU A 114 19.384 3.585 -0.961 1.00 0.00 O ATOM 0 H GLU A 114 13.021 2.746 0.580 1.00 0.00 H new ATOM 0 HA GLU A 114 15.228 4.320 1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.185 1.892 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.991 2.511 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.261 4.616 -0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.607 3.785 1.360 1.00 0.00 H new ATOM 1835 N LEU A 115 13.158 4.935 -0.441 1.00 0.00 N ATOM 1836 CA LEU A 115 12.539 5.725 -1.497 1.00 0.00 C ATOM 1837 C LEU A 115 11.577 6.734 -0.895 1.00 0.00 C ATOM 1838 O LEU A 115 10.900 6.446 0.088 1.00 0.00 O ATOM 1839 CB LEU A 115 11.793 4.810 -2.469 1.00 0.00 C ATOM 1840 CG LEU A 115 10.452 4.388 -1.850 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.353 5.435 -2.109 1.00 0.00 C ATOM 1842 CD2 LEU A 115 10.028 3.051 -2.453 1.00 0.00 C ATOM 0 H LEU A 115 12.575 4.799 0.385 1.00 0.00 H new ATOM 0 HA LEU A 115 13.319 6.258 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.623 5.327 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.396 3.930 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 115 10.584 4.300 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.419 5.102 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.648 6.389 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.212 5.557 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.077 2.742 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.918 3.157 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.786 2.298 -2.238 1.00 0.00 H new ATOM 1854 N LYS A 116 11.534 7.922 -1.479 1.00 0.00 N ATOM 1855 CA LYS A 116 10.664 8.977 -0.978 1.00 0.00 C ATOM 1856 C LYS A 116 9.229 8.741 -1.431 1.00 0.00 C ATOM 1857 O LYS A 116 8.966 8.511 -2.611 1.00 0.00 O ATOM 1858 CB LYS A 116 11.158 10.347 -1.488 1.00 0.00 C ATOM 1859 CG LYS A 116 11.219 11.390 -0.351 1.00 0.00 C ATOM 1860 CD LYS A 116 12.511 12.215 -0.454 1.00 0.00 C ATOM 1861 CE LYS A 116 12.476 13.070 -1.718 1.00 0.00 C ATOM 1862 NZ LYS A 116 13.678 12.780 -2.546 1.00 0.00 N ATOM 0 H LYS A 116 12.088 8.180 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 116 10.692 8.967 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.147 10.235 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.493 10.704 -2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.353 12.049 -0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.176 10.888 0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.618 12.851 0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 116 13.376 11.552 -0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.570 12.860 -2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.449 14.127 -1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.655 13.362 -3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 14.536 13.001 -2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 13.684 11.774 -2.808 1.00 0.00 H new ATOM 1876 N SER A 117 8.306 8.800 -0.478 1.00 0.00 N ATOM 1877 CA SER A 117 6.898 8.590 -0.777 1.00 0.00 C ATOM 1878 C SER A 117 6.379 9.680 -1.707 1.00 0.00 C ATOM 1879 O SER A 117 6.910 10.791 -1.735 1.00 0.00 O ATOM 1880 CB SER A 117 6.088 8.595 0.520 1.00 0.00 C ATOM 1881 OG SER A 117 6.609 7.609 1.400 1.00 0.00 O ATOM 0 H SER A 117 8.508 8.991 0.503 1.00 0.00 H new ATOM 0 HA SER A 117 6.789 7.625 -1.273 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.134 9.578 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.038 8.392 0.308 1.00 0.00 H new ATOM 0 HG SER A 117 7.367 7.982 1.896 1.00 0.00 H new ATOM 1887 N LYS A 118 5.337 9.357 -2.462 1.00 0.00 N ATOM 1888 CA LYS A 118 4.750 10.317 -3.385 1.00 0.00 C ATOM 1889 C LYS A 118 3.632 11.088 -2.698 1.00 0.00 C ATOM 1890 O LYS A 118 3.554 12.313 -2.796 1.00 0.00 O ATOM 1891 CB LYS A 118 4.189 9.591 -4.608 1.00 0.00 C ATOM 1892 CG LYS A 118 5.332 9.205 -5.555 1.00 0.00 C ATOM 1893 CD LYS A 118 5.771 10.415 -6.390 1.00 0.00 C ATOM 1894 CE LYS A 118 7.294 10.551 -6.329 1.00 0.00 C ATOM 1895 NZ LYS A 118 7.721 11.717 -7.152 1.00 0.00 N ATOM 0 H LYS A 118 4.884 8.443 -2.453 1.00 0.00 H new ATOM 0 HA LYS A 118 5.525 11.014 -3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.647 8.699 -4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.476 10.232 -5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.177 8.827 -4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.009 8.399 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.447 10.294 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.299 11.322 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.617 10.683 -5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.766 9.640 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.756 11.810 -7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.425 11.573 -8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.280 12.583 -6.782 1.00 0.00 H new ATOM 1909 N GLU A 119 2.768 10.361 -1.998 1.00 0.00 N ATOM 1910 CA GLU A 119 1.658 10.996 -1.295 1.00 0.00 C ATOM 1911 C GLU A 119 1.069 10.049 -0.260 1.00 0.00 C ATOM 1912 O GLU A 119 0.387 9.082 -0.596 1.00 0.00 O ATOM 1913 CB GLU A 119 0.572 11.414 -2.290 1.00 0.00 C ATOM 1914 CG GLU A 119 -0.568 12.115 -1.543 1.00 0.00 C ATOM 1915 CD GLU A 119 -1.188 13.194 -2.424 1.00 0.00 C ATOM 1916 OE1 GLU A 119 -0.964 14.361 -2.143 1.00 0.00 O ATOM 1917 OE2 GLU A 119 -1.879 12.841 -3.366 1.00 0.00 O ATOM 0 H GLU A 119 2.812 9.346 -1.902 1.00 0.00 H new ATOM 0 HA GLU A 119 2.037 11.882 -0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.992 12.082 -3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.191 10.539 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.328 11.387 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.190 12.559 -0.622 1.00 0.00 H new ATOM 1924 N SER A 120 1.350 10.331 1.003 1.00 0.00 N ATOM 1925 CA SER A 120 0.860 9.496 2.089 1.00 0.00 C ATOM 1926 C SER A 120 0.416 10.355 3.260 1.00 0.00 C ATOM 1927 O SER A 120 0.416 11.583 3.175 1.00 0.00 O ATOM 1928 CB SER A 120 1.980 8.569 2.559 1.00 0.00 C ATOM 1929 OG SER A 120 2.543 7.902 1.438 1.00 0.00 O ATOM 0 H SER A 120 1.912 11.128 1.301 1.00 0.00 H new ATOM 0 HA SER A 120 0.012 8.915 1.727 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.748 9.143 3.078 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.590 7.841 3.271 1.00 0.00 H new ATOM 0 HG SER A 120 2.947 7.058 1.729 1.00 0.00 H new ATOM 1935 N ASP A 121 0.045 9.692 4.355 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.395 10.382 5.575 1.00 0.00 C ATOM 1937 C ASP A 121 -1.830 10.857 5.434 1.00 0.00 C ATOM 1938 O ASP A 121 -2.412 11.391 6.376 1.00 0.00 O ATOM 1939 CB ASP A 121 0.505 11.585 5.901 1.00 0.00 C ATOM 1940 CG ASP A 121 -0.260 12.889 5.665 1.00 0.00 C ATOM 1941 OD1 ASP A 121 -0.412 13.641 6.615 1.00 0.00 O ATOM 1942 OD2 ASP A 121 -0.679 13.117 4.544 1.00 0.00 O ATOM 0 H ASP A 121 0.039 8.674 4.426 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.326 9.664 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 121 0.837 11.531 6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 121 1.399 11.560 5.278 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.388 10.653 4.251 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.758 11.056 3.982 1.00 0.00 C ATOM 1949 C ILE A 122 -4.710 10.257 4.863 1.00 0.00 C ATOM 1950 O ILE A 122 -4.847 9.046 4.707 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.125 10.822 2.517 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -2.875 10.556 1.651 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -4.878 12.023 1.966 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -1.965 11.793 1.610 1.00 0.00 C ATOM 0 H ILE A 122 -1.914 10.211 3.463 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.845 12.121 4.200 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.761 9.938 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.323 9.706 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.179 10.289 0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.134 11.844 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.791 12.176 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.250 12.911 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.091 11.581 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -2.513 12.634 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.644 12.042 2.621 1.00 0.00 H new ATOM 1966 N MET A 123 -5.350 10.945 5.788 1.00 0.00 N ATOM 1967 CA MET A 123 -6.278 10.315 6.714 1.00 0.00 C ATOM 1968 C MET A 123 -7.605 10.016 6.033 1.00 0.00 C ATOM 1969 O MET A 123 -8.269 10.915 5.515 1.00 0.00 O ATOM 1970 CB MET A 123 -6.513 11.233 7.913 1.00 0.00 C ATOM 1971 CG MET A 123 -7.359 10.505 8.955 1.00 0.00 C ATOM 1972 SD MET A 123 -6.425 10.365 10.500 1.00 0.00 S ATOM 1973 CE MET A 123 -5.388 8.964 10.011 1.00 0.00 C ATOM 0 H MET A 123 -5.244 11.951 5.921 1.00 0.00 H new ATOM 0 HA MET A 123 -5.842 9.374 7.051 1.00 0.00 H new ATOM 0 HB2 MET A 123 -5.559 11.532 8.348 1.00 0.00 H new ATOM 0 HB3 MET A 123 -7.017 12.145 7.593 1.00 0.00 H new ATOM 0 HG2 MET A 123 -8.289 11.047 9.127 1.00 0.00 H new ATOM 0 HG3 MET A 123 -7.631 9.514 8.591 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.732 8.691 10.838 1.00 0.00 H new ATOM 0 HE2 MET A 123 -6.021 8.115 9.755 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.786 9.242 9.146 1.00 0.00 H new ATOM 1983 N THR A 124 -7.983 8.745 6.046 1.00 0.00 N ATOM 1984 CA THR A 124 -9.234 8.316 5.436 1.00 0.00 C ATOM 1985 C THR A 124 -10.238 7.905 6.501 1.00 0.00 C ATOM 1986 O THR A 124 -9.979 8.037 7.700 1.00 0.00 O ATOM 1987 CB THR A 124 -8.980 7.133 4.504 1.00 0.00 C ATOM 1988 OG1 THR A 124 -7.971 6.302 5.059 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.524 7.641 3.135 1.00 0.00 C ATOM 0 H THR A 124 -7.441 7.993 6.472 1.00 0.00 H new ATOM 0 HA THR A 124 -9.641 9.153 4.868 1.00 0.00 H new ATOM 0 HB THR A 124 -9.901 6.562 4.388 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.162 6.145 6.007 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.344 6.793 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 124 -9.298 8.277 2.707 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.604 8.215 3.248 1.00 0.00 H new ATOM 1997 N THR A 125 -11.387 7.413 6.059 1.00 0.00 N ATOM 1998 CA THR A 125 -12.427 6.989 6.992 1.00 0.00 C ATOM 1999 C THR A 125 -12.189 5.560 7.466 1.00 0.00 C ATOM 2000 O THR A 125 -12.871 5.083 8.376 1.00 0.00 O ATOM 2001 CB THR A 125 -13.793 7.073 6.318 1.00 0.00 C ATOM 2002 OG1 THR A 125 -13.781 6.290 5.133 1.00 0.00 O ATOM 2003 CG2 THR A 125 -14.095 8.526 5.969 1.00 0.00 C ATOM 0 H THR A 125 -11.623 7.298 5.073 1.00 0.00 H new ATOM 0 HA THR A 125 -12.397 7.653 7.856 1.00 0.00 H new ATOM 0 HB THR A 125 -14.561 6.696 6.994 1.00 0.00 H new ATOM 0 HG1 THR A 125 -14.417 5.550 5.223 1.00 0.00 H new ATOM 0 HG21 THR A 125 -15.071 8.589 5.487 1.00 0.00 H new ATOM 0 HG22 THR A 125 -14.100 9.125 6.879 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.330 8.904 5.291 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.227 4.879 6.849 1.00 0.00 N ATOM 2012 CA ASN A 126 -10.915 3.503 7.223 1.00 0.00 C ATOM 2013 C ASN A 126 -9.417 3.340 7.469 1.00 0.00 C ATOM 2014 O ASN A 126 -8.878 2.235 7.428 1.00 0.00 O ATOM 2015 CB ASN A 126 -11.381 2.539 6.133 1.00 0.00 C ATOM 2016 CG ASN A 126 -12.468 1.620 6.673 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -12.173 0.589 7.276 1.00 0.00 O ATOM 2018 ND2 ASN A 126 -13.721 1.938 6.490 1.00 0.00 N ATOM 0 H ASN A 126 -10.654 5.254 6.093 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.444 3.269 8.147 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.760 3.100 5.279 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -10.538 1.947 5.776 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -14.459 1.331 6.847 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -13.962 2.793 5.990 1.00 0.00 H new ATOM 2025 N GLY A 127 -8.750 4.451 7.733 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.319 4.411 8.011 1.00 0.00 C ATOM 2027 C GLY A 127 -6.581 5.542 7.320 1.00 0.00 C ATOM 2028 O GLY A 127 -7.090 6.654 7.216 1.00 0.00 O ATOM 0 H GLY A 127 -9.167 5.382 7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.155 4.474 9.087 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -6.911 3.455 7.682 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.371 5.246 6.861 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.556 6.240 6.180 1.00 0.00 C ATOM 2034 C VAL A 128 -4.057 5.695 4.853 1.00 0.00 C ATOM 2035 O VAL A 128 -3.898 4.479 4.680 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.371 6.637 7.055 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.300 5.556 7.004 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -2.780 7.953 6.556 1.00 0.00 C ATOM 0 H VAL A 128 -4.935 4.328 6.948 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.170 7.121 5.991 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.716 6.756 8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.458 5.848 7.632 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.714 4.616 7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.960 5.429 5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.934 8.233 7.184 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.444 7.834 5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.540 8.733 6.602 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.822 6.601 3.917 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.359 6.208 2.606 1.00 0.00 C ATOM 2050 C ILE A 129 -1.849 6.392 2.471 1.00 0.00 C ATOM 2051 O ILE A 129 -1.249 7.291 3.093 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.068 7.040 1.532 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.524 6.584 1.396 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.360 6.859 0.185 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.306 7.614 0.576 1.00 0.00 C ATOM 0 H ILE A 129 -3.945 7.606 4.044 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.591 5.151 2.473 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.040 8.090 1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.567 5.609 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -5.974 6.470 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -3.868 7.452 -0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.325 7.188 0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.384 5.807 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.342 7.291 0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.273 8.580 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -5.860 7.705 -0.414 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.242 5.546 1.636 1.00 0.00 N ATOM 2068 CA HIS A 130 0.191 5.634 1.399 1.00 0.00 C ATOM 2069 C HIS A 130 0.507 5.349 -0.062 1.00 0.00 C ATOM 2070 O HIS A 130 0.349 4.227 -0.540 1.00 0.00 O ATOM 2071 CB HIS A 130 0.932 4.659 2.319 1.00 0.00 C ATOM 2072 CG HIS A 130 2.413 4.923 2.307 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.274 5.421 1.354 1.00 0.00 N flip ATOM 2074 CD2 HIS A 130 3.202 4.633 3.406 1.00 0.00 C flip ATOM 2075 CE1 HIS A 130 4.571 5.430 1.856 1.00 0.00 C flip ATOM 2076 NE2 HIS A 130 4.469 4.948 3.095 1.00 0.00 N flip ATOM 0 H HIS A 130 -1.717 4.804 1.122 1.00 0.00 H new ATOM 0 HA HIS A 130 0.527 6.646 1.624 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.551 4.753 3.336 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.739 3.635 2.000 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.860 4.226 4.346 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.468 5.757 1.351 1.00 0.00 H new ATOM 0 HE2 HIS A 130 5.259 4.833 3.730 1.00 0.00 H new ATOM 2085 N VAL A 131 0.953 6.390 -0.764 1.00 0.00 N ATOM 2086 CA VAL A 131 1.295 6.272 -2.178 1.00 0.00 C ATOM 2087 C VAL A 131 2.797 6.319 -2.371 1.00 0.00 C ATOM 2088 O VAL A 131 3.442 7.321 -2.044 1.00 0.00 O ATOM 2089 CB VAL A 131 0.652 7.404 -2.986 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.896 7.172 -4.478 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -0.853 7.432 -2.720 1.00 0.00 C ATOM 0 H VAL A 131 1.085 7.324 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 131 0.915 5.314 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 131 1.094 8.355 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.438 7.978 -5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.968 7.152 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.456 6.220 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.309 8.238 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.293 6.480 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.032 7.598 -1.658 1.00 0.00 H new ATOM 2101 N VAL A 132 3.337 5.232 -2.915 1.00 0.00 N ATOM 2102 CA VAL A 132 4.774 5.142 -3.167 1.00 0.00 C ATOM 2103 C VAL A 132 5.061 5.067 -4.665 1.00 0.00 C ATOM 2104 O VAL A 132 4.143 4.939 -5.475 1.00 0.00 O ATOM 2105 CB VAL A 132 5.352 3.908 -2.476 1.00 0.00 C ATOM 2106 CG1 VAL A 132 5.134 4.013 -0.966 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.654 2.653 -3.005 1.00 0.00 C ATOM 0 H VAL A 132 2.806 4.405 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 132 5.244 6.039 -2.765 1.00 0.00 H new ATOM 0 HB VAL A 132 6.420 3.846 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.547 3.131 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.633 4.905 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.066 4.077 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 132 5.066 1.772 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.585 2.717 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.813 2.574 -4.081 1.00 0.00 H new ATOM 2117 N ASP A 133 6.344 5.148 -5.020 1.00 0.00 N ATOM 2118 CA ASP A 133 6.754 5.092 -6.424 1.00 0.00 C ATOM 2119 C ASP A 133 7.627 3.873 -6.687 1.00 0.00 C ATOM 2120 O ASP A 133 8.625 3.954 -7.404 1.00 0.00 O ATOM 2121 CB ASP A 133 7.529 6.357 -6.796 1.00 0.00 C ATOM 2122 CG ASP A 133 8.890 6.360 -6.104 1.00 0.00 C ATOM 2123 OD1 ASP A 133 9.752 7.105 -6.541 1.00 0.00 O ATOM 2124 OD2 ASP A 133 9.048 5.621 -5.147 1.00 0.00 O ATOM 0 H ASP A 133 7.114 5.252 -4.359 1.00 0.00 H new ATOM 0 HA ASP A 133 5.854 5.019 -7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.662 6.407 -7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.961 7.240 -6.503 1.00 0.00 H new ATOM 2129 N LYS A 134 7.243 2.741 -6.112 1.00 0.00 N ATOM 2130 CA LYS A 134 7.994 1.508 -6.299 1.00 0.00 C ATOM 2131 C LYS A 134 7.237 0.329 -5.692 1.00 0.00 C ATOM 2132 O LYS A 134 6.339 0.517 -4.870 1.00 0.00 O ATOM 2133 CB LYS A 134 9.363 1.627 -5.637 1.00 0.00 C ATOM 2134 CG LYS A 134 10.376 0.762 -6.387 1.00 0.00 C ATOM 2135 CD LYS A 134 11.512 0.357 -5.437 1.00 0.00 C ATOM 2136 CE LYS A 134 11.009 -0.655 -4.398 1.00 0.00 C ATOM 2137 NZ LYS A 134 11.869 -1.872 -4.441 1.00 0.00 N ATOM 0 H LYS A 134 6.420 2.651 -5.516 1.00 0.00 H new ATOM 0 HA LYS A 134 8.121 1.338 -7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.688 2.667 -5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.302 1.312 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.886 -0.127 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 134 10.779 1.311 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.334 -0.076 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.905 1.240 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.033 -0.213 -3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 134 9.972 -0.921 -4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 11.270 -2.718 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.508 -1.817 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 12.431 -1.931 -3.568 1.00 0.00 H new ATOM 2151 N LEU A 135 7.602 -0.881 -6.100 1.00 0.00 N ATOM 2152 CA LEU A 135 6.951 -2.077 -5.582 1.00 0.00 C ATOM 2153 C LEU A 135 7.772 -2.677 -4.446 1.00 0.00 C ATOM 2154 O LEU A 135 8.915 -3.093 -4.643 1.00 0.00 O ATOM 2155 CB LEU A 135 6.791 -3.114 -6.702 1.00 0.00 C ATOM 2156 CG LEU A 135 5.960 -4.310 -6.203 1.00 0.00 C ATOM 2157 CD1 LEU A 135 4.525 -3.867 -5.895 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.923 -5.397 -7.282 1.00 0.00 C ATOM 0 H LEU A 135 8.339 -1.059 -6.782 1.00 0.00 H new ATOM 0 HA LEU A 135 5.968 -1.800 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.304 -2.657 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.771 -3.456 -7.034 1.00 0.00 H new ATOM 0 HG LEU A 135 6.421 -4.701 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.948 -4.722 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.540 -3.097 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.066 -3.467 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.334 -6.243 -6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.470 -4.995 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.938 -5.728 -7.500 1.00 0.00 H new ATOM 2170 N LEU A 136 7.182 -2.721 -3.258 1.00 0.00 N ATOM 2171 CA LEU A 136 7.867 -3.278 -2.098 1.00 0.00 C ATOM 2172 C LEU A 136 7.626 -4.781 -2.018 1.00 0.00 C ATOM 2173 O LEU A 136 6.518 -5.251 -2.279 1.00 0.00 O ATOM 2174 CB LEU A 136 7.357 -2.616 -0.821 1.00 0.00 C ATOM 2175 CG LEU A 136 7.089 -1.135 -1.085 1.00 0.00 C ATOM 2176 CD1 LEU A 136 6.734 -0.439 0.224 1.00 0.00 C ATOM 2177 CD2 LEU A 136 8.345 -0.490 -1.678 1.00 0.00 C ATOM 0 H LEU A 136 6.238 -2.381 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 136 8.935 -3.089 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.444 -3.107 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 136 8.091 -2.727 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 136 6.260 -1.036 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.543 0.617 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 136 5.842 -0.898 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.563 -0.538 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.157 0.567 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.172 -0.591 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.602 -0.986 -2.614 1.00 0.00 H new ATOM 2189 N TYR A 137 8.661 -5.528 -1.649 1.00 0.00 N ATOM 2190 CA TYR A 137 8.530 -6.974 -1.536 1.00 0.00 C ATOM 2191 C TYR A 137 9.371 -7.506 -0.372 1.00 0.00 C ATOM 2192 O TYR A 137 10.354 -6.871 0.013 1.00 0.00 O ATOM 2193 CB TYR A 137 8.991 -7.641 -2.833 1.00 0.00 C ATOM 2194 CG TYR A 137 10.142 -6.861 -3.419 1.00 0.00 C ATOM 2195 CD1 TYR A 137 9.895 -5.813 -4.312 1.00 0.00 C ATOM 2196 CD2 TYR A 137 11.459 -7.189 -3.071 1.00 0.00 C ATOM 2197 CE1 TYR A 137 10.961 -5.091 -4.859 1.00 0.00 C ATOM 2198 CE2 TYR A 137 12.526 -6.467 -3.617 1.00 0.00 C ATOM 2199 CZ TYR A 137 12.278 -5.419 -4.511 1.00 0.00 C ATOM 2200 OH TYR A 137 13.330 -4.709 -5.050 1.00 0.00 O ATOM 0 H TYR A 137 9.587 -5.162 -1.426 1.00 0.00 H new ATOM 0 HA TYR A 137 7.481 -7.208 -1.352 1.00 0.00 H new ATOM 0 HB2 TYR A 137 9.297 -8.669 -2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 137 8.167 -7.684 -3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 137 8.880 -5.561 -4.580 1.00 0.00 H new ATOM 0 HD2 TYR A 137 11.650 -7.998 -2.382 1.00 0.00 H new ATOM 0 HE1 TYR A 137 10.769 -4.282 -5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 137 13.541 -6.719 -3.348 1.00 0.00 H new ATOM 0 HH TYR A 137 14.175 -5.064 -4.704 1.00 0.00 H new ATOM 2210 N PRO A 138 9.025 -8.656 0.179 1.00 0.00 N ATOM 2211 CA PRO A 138 9.803 -9.275 1.299 1.00 0.00 C ATOM 2212 C PRO A 138 11.309 -9.316 1.019 1.00 0.00 C ATOM 2213 O PRO A 138 11.805 -8.660 0.106 1.00 0.00 O ATOM 2214 CB PRO A 138 9.248 -10.697 1.385 1.00 0.00 C ATOM 2215 CG PRO A 138 7.862 -10.617 0.845 1.00 0.00 C ATOM 2216 CD PRO A 138 7.854 -9.486 -0.184 1.00 0.00 C ATOM 0 HA PRO A 138 9.697 -8.702 2.220 1.00 0.00 H new ATOM 0 HB2 PRO A 138 9.856 -11.391 0.805 1.00 0.00 H new ATOM 0 HB3 PRO A 138 9.248 -11.057 2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 138 7.571 -11.561 0.384 1.00 0.00 H new ATOM 0 HG3 PRO A 138 7.147 -10.419 1.643 1.00 0.00 H new ATOM 0 HD2 PRO A 138 7.939 -9.871 -1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 138 6.929 -8.912 -0.137 1.00 0.00 H new ATOM 2224 N ALA A 139 12.032 -10.106 1.809 1.00 0.00 N ATOM 2225 CA ALA A 139 13.474 -10.231 1.636 1.00 0.00 C ATOM 2226 C ALA A 139 14.179 -8.955 2.084 1.00 0.00 C ATOM 2227 O ALA A 139 13.564 -8.078 2.692 1.00 0.00 O ATOM 2228 CB ALA A 139 13.799 -10.507 0.167 1.00 0.00 C ATOM 0 H ALA A 139 11.645 -10.665 2.570 1.00 0.00 H new ATOM 0 HA ALA A 139 13.826 -11.061 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 139 14.878 -10.599 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 139 13.318 -11.434 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 139 13.433 -9.684 -0.447 1.00 0.00 H new ATOM 2234 N ASP A 140 15.469 -8.858 1.783 1.00 0.00 N ATOM 2235 CA ASP A 140 16.247 -7.684 2.162 1.00 0.00 C ATOM 2236 C ASP A 140 15.986 -7.315 3.619 1.00 0.00 C ATOM 2237 O ASP A 140 15.400 -6.273 3.910 1.00 0.00 O ATOM 2238 CB ASP A 140 15.883 -6.501 1.262 1.00 0.00 C ATOM 2239 CG ASP A 140 15.857 -6.943 -0.196 1.00 0.00 C ATOM 2240 OD1 ASP A 140 16.884 -6.833 -0.847 1.00 0.00 O ATOM 2241 OD2 ASP A 140 14.811 -7.385 -0.643 1.00 0.00 O ATOM 0 H ASP A 140 15.996 -9.573 1.281 1.00 0.00 H new ATOM 0 HA ASP A 140 17.304 -7.920 2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 140 14.909 -6.103 1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 140 16.607 -5.697 1.394 1.00 0.00 H new TER 2246 ASP A 140