USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 763 hydrogens (33 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 88 GLN : amide:sc= -0.0468 K(o=-3.7,f=-6.8) USER MOD Set 1.2: A 101 MET CE :methyl -164:sc= -3.62! (180deg=-4.46) USER MOD Set 2.1: A 76 CYS SG : rot -64:sc= 1.56 USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 0.697 USER MOD Set 3.1: A 61 MET CE :methyl -154:sc= -0.0411 (180deg=-0.394) USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 35 LYS NZ :NH3+ 141:sc= 0.56 (180deg=-0.0242) USER MOD Set 4.2: A 38 HIS : no HD1:sc= 0.512 K(o=1.1,f=-4.4!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 25 ASN : amide:sc= -0.028 K(o=-0.028,f=-0.84) USER MOD Single : A 26 GLN : amide:sc= -0.774 X(o=-0.77,f=-0.74) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.9) USER MOD Single : A 46 MET CE :methyl 165:sc= -0.11 (180deg=-0.392) USER MOD Single : A 48 THR OG1 : rot -170:sc= 0.499 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -165:sc= -1.48 (180deg=-1.64) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 59 TYR OH : rot 150:sc= 1.26 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.814 K(o=0.81,f=-0.063) USER MOD Single : A 68 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.19) USER MOD Single : A 69 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.763 K(o=0.76,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.36) USER MOD Single : A 73 MET CE :methyl 180:sc= -0.0683 (180deg=-0.0683) USER MOD Single : A 75 TYR OH : rot 66:sc= 0.244 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.21) USER MOD Single : A 105 ASN : amide:sc= -0.238 K(o=-0.24,f=-4.7!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0374 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 5.900 8.421 14.365 1.00 0.00 N ATOM 2 CA GLN A 23 6.899 8.355 13.294 1.00 0.00 C ATOM 3 C GLN A 23 6.500 7.365 12.185 1.00 0.00 C ATOM 4 O GLN A 23 5.846 6.345 12.425 1.00 0.00 O ATOM 5 CB GLN A 23 8.282 8.002 13.876 1.00 0.00 C ATOM 6 CG GLN A 23 8.817 9.084 14.833 1.00 0.00 C ATOM 7 CD GLN A 23 10.204 8.775 15.403 1.00 0.00 C ATOM 8 OE1 GLN A 23 10.837 7.761 15.125 1.00 0.00 O ATOM 9 NE2 GLN A 23 10.742 9.644 16.235 1.00 0.00 N ATOM 0 HA GLN A 23 6.951 9.341 12.832 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.217 7.053 14.407 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.990 7.862 13.060 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.856 10.036 14.304 1.00 0.00 H new ATOM 0 HG3 GLN A 23 8.115 9.206 15.658 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.236 10.494 16.482 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.665 9.466 16.632 1.00 0.00 H new ATOM 18 N ILE A 24 6.919 7.678 10.956 1.00 0.00 N ATOM 19 CA ILE A 24 6.506 7.042 9.710 1.00 0.00 C ATOM 20 C ILE A 24 7.291 5.808 9.268 1.00 0.00 C ATOM 21 O ILE A 24 6.840 5.048 8.412 1.00 0.00 O ATOM 22 CB ILE A 24 6.498 8.130 8.634 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.847 8.874 8.499 1.00 0.00 C ATOM 24 CG2 ILE A 24 5.306 9.068 8.863 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.786 9.944 7.420 1.00 0.00 C ATOM 0 H ILE A 24 7.595 8.426 10.799 1.00 0.00 H new ATOM 0 HA ILE A 24 5.517 6.618 9.883 1.00 0.00 H new ATOM 0 HB ILE A 24 6.371 7.647 7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.109 9.332 9.453 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.636 8.160 8.261 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.300 9.843 8.097 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.379 8.498 8.809 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.391 9.531 9.846 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.750 10.447 7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.549 9.481 6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.014 10.671 7.672 1.00 0.00 H new ATOM 37 N ASN A 25 8.464 5.624 9.860 1.00 0.00 N ATOM 38 CA ASN A 25 9.452 4.585 9.527 1.00 0.00 C ATOM 39 C ASN A 25 9.848 4.552 8.022 1.00 0.00 C ATOM 40 O ASN A 25 10.081 3.490 7.439 1.00 0.00 O ATOM 41 CB ASN A 25 8.943 3.247 10.100 1.00 0.00 C ATOM 42 CG ASN A 25 10.008 2.160 10.191 1.00 0.00 C ATOM 43 OD1 ASN A 25 11.209 2.405 10.195 1.00 0.00 O ATOM 44 ND2 ASN A 25 9.602 0.914 10.308 1.00 0.00 N ATOM 0 H ASN A 25 8.776 6.222 10.626 1.00 0.00 H new ATOM 0 HA ASN A 25 10.406 4.819 9.999 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.534 3.423 11.095 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.124 2.886 9.478 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.285 0.162 10.401 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.605 0.700 10.306 1.00 0.00 H new ATOM 51 N GLN A 26 9.892 5.728 7.379 1.00 0.00 N ATOM 52 CA GLN A 26 10.233 5.939 5.967 1.00 0.00 C ATOM 53 C GLN A 26 11.724 6.281 5.772 1.00 0.00 C ATOM 54 O GLN A 26 12.446 6.577 6.726 1.00 0.00 O ATOM 55 CB GLN A 26 9.274 6.989 5.373 1.00 0.00 C ATOM 56 CG GLN A 26 7.838 6.453 5.300 1.00 0.00 C ATOM 57 CD GLN A 26 7.706 5.161 4.489 1.00 0.00 C ATOM 58 OE1 GLN A 26 7.051 4.204 4.878 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.332 5.079 3.331 1.00 0.00 N ATOM 0 H GLN A 26 9.679 6.604 7.857 1.00 0.00 H new ATOM 0 HA GLN A 26 10.095 5.009 5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.297 7.892 5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.611 7.270 4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.473 6.276 6.312 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.196 7.216 4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.882 5.868 2.992 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.266 4.227 2.775 1.00 0.00 H new ATOM 68 N VAL A 27 12.184 6.226 4.519 1.00 0.00 N ATOM 69 CA VAL A 27 13.609 6.296 4.127 1.00 0.00 C ATOM 70 C VAL A 27 14.010 7.656 3.541 1.00 0.00 C ATOM 71 O VAL A 27 13.158 8.419 3.085 1.00 0.00 O ATOM 72 CB VAL A 27 13.966 5.144 3.162 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.769 3.780 3.835 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.161 5.173 1.854 1.00 0.00 C ATOM 0 H VAL A 27 11.561 6.128 3.718 1.00 0.00 H new ATOM 0 HA VAL A 27 14.190 6.181 5.042 1.00 0.00 H new ATOM 0 HB VAL A 27 15.016 5.292 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.028 2.987 3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.411 3.711 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.728 3.671 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.462 4.337 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.098 5.093 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.352 6.110 1.330 1.00 0.00 H new ATOM 84 N ARG A 28 15.315 7.964 3.543 1.00 0.00 N ATOM 85 CA ARG A 28 15.885 9.193 2.950 1.00 0.00 C ATOM 86 C ARG A 28 16.304 8.961 1.478 1.00 0.00 C ATOM 87 O ARG A 28 16.883 7.913 1.194 1.00 0.00 O ATOM 88 CB ARG A 28 17.092 9.678 3.780 1.00 0.00 C ATOM 89 CG ARG A 28 16.737 9.915 5.257 1.00 0.00 C ATOM 90 CD ARG A 28 17.786 10.760 5.990 1.00 0.00 C ATOM 91 NE ARG A 28 19.021 9.996 6.262 1.00 0.00 N ATOM 92 CZ ARG A 28 19.279 9.246 7.321 1.00 0.00 C ATOM 93 NH1 ARG A 28 18.417 9.077 8.286 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.426 8.639 7.433 1.00 0.00 N ATOM 0 H ARG A 28 16.020 7.359 3.963 1.00 0.00 H new ATOM 0 HA ARG A 28 15.114 9.963 2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.892 8.940 3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.476 10.603 3.350 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.769 10.412 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.634 8.954 5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.027 11.638 5.391 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.368 11.121 6.930 1.00 0.00 H new ATOM 0 HE ARG A 28 19.755 10.053 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.505 9.532 8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.655 8.490 9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.130 8.741 6.702 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.620 8.062 8.251 1.00 0.00 H new ATOM 108 N PRO A 29 16.062 9.893 0.534 1.00 0.00 N ATOM 109 CA PRO A 29 16.460 9.759 -0.872 1.00 0.00 C ATOM 110 C PRO A 29 17.936 10.114 -1.116 1.00 0.00 C ATOM 111 O PRO A 29 18.626 10.627 -0.232 1.00 0.00 O ATOM 112 CB PRO A 29 15.506 10.694 -1.624 1.00 0.00 C ATOM 113 CG PRO A 29 15.301 11.838 -0.636 1.00 0.00 C ATOM 114 CD PRO A 29 15.320 11.129 0.718 1.00 0.00 C ATOM 0 HA PRO A 29 16.386 8.727 -1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.938 11.043 -2.562 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.566 10.200 -1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.092 12.584 -0.712 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.357 12.356 -0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.792 11.755 1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.306 10.924 1.061 1.00 0.00 H new ATOM 122 N LYS A 30 18.414 9.853 -2.345 1.00 0.00 N ATOM 123 CA LYS A 30 19.758 10.248 -2.799 1.00 0.00 C ATOM 124 C LYS A 30 20.006 11.759 -2.657 1.00 0.00 C ATOM 125 O LYS A 30 19.091 12.560 -2.823 1.00 0.00 O ATOM 126 CB LYS A 30 19.987 9.759 -4.254 1.00 0.00 C ATOM 127 CG LYS A 30 21.008 8.615 -4.309 1.00 0.00 C ATOM 128 CD LYS A 30 20.453 7.293 -3.747 1.00 0.00 C ATOM 129 CE LYS A 30 21.536 6.453 -3.054 1.00 0.00 C ATOM 130 NZ LYS A 30 22.626 6.023 -3.980 1.00 0.00 N ATOM 0 H LYS A 30 17.875 9.359 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 30 20.488 9.765 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.041 9.424 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.336 10.590 -4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.321 8.463 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.897 8.900 -3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.655 7.509 -3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.010 6.714 -4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.968 7.031 -2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.075 5.570 -2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 23.326 5.461 -3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.223 5.447 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.089 6.862 -4.384 1.00 0.00 H new ATOM 144 N LEU A 31 21.256 12.161 -2.423 1.00 0.00 N ATOM 145 CA LEU A 31 21.629 13.565 -2.159 1.00 0.00 C ATOM 146 C LEU A 31 21.275 14.539 -3.307 1.00 0.00 C ATOM 147 O LEU A 31 20.581 15.522 -3.036 1.00 0.00 O ATOM 148 CB LEU A 31 23.116 13.653 -1.748 1.00 0.00 C ATOM 149 CG LEU A 31 23.492 12.896 -0.456 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.990 13.052 -0.192 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.737 13.408 0.774 1.00 0.00 C ATOM 0 H LEU A 31 22.050 11.521 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 31 21.016 13.902 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.725 13.267 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.379 14.703 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 31 23.218 11.853 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.256 12.518 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.552 12.641 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.231 14.109 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.042 12.838 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.966 14.463 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.665 13.288 0.619 1.00 0.00 H new ATOM 163 N PRO A 32 21.624 14.281 -4.589 1.00 0.00 N ATOM 164 CA PRO A 32 21.190 15.140 -5.700 1.00 0.00 C ATOM 165 C PRO A 32 19.672 15.084 -5.950 1.00 0.00 C ATOM 166 O PRO A 32 19.117 16.038 -6.487 1.00 0.00 O ATOM 167 CB PRO A 32 21.999 14.685 -6.920 1.00 0.00 C ATOM 168 CG PRO A 32 22.308 13.226 -6.605 1.00 0.00 C ATOM 169 CD PRO A 32 22.520 13.245 -5.095 1.00 0.00 C ATOM 0 HA PRO A 32 21.376 16.189 -5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.428 14.786 -7.843 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.909 15.273 -7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.487 12.568 -6.890 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.195 12.877 -7.134 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.288 12.276 -4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.558 13.468 -4.847 1.00 0.00 H new ATOM 177 N LEU A 33 18.979 14.024 -5.505 1.00 0.00 N ATOM 178 CA LEU A 33 17.510 13.956 -5.500 1.00 0.00 C ATOM 179 C LEU A 33 16.945 14.932 -4.449 1.00 0.00 C ATOM 180 O LEU A 33 16.084 15.745 -4.769 1.00 0.00 O ATOM 181 CB LEU A 33 17.068 12.484 -5.293 1.00 0.00 C ATOM 182 CG LEU A 33 15.736 12.067 -5.951 1.00 0.00 C ATOM 183 CD1 LEU A 33 15.449 10.598 -5.656 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.532 12.868 -5.459 1.00 0.00 C ATOM 0 H LEU A 33 19.426 13.185 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 33 17.100 14.275 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.855 11.834 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.993 12.298 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 33 15.864 12.257 -7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.507 10.310 -6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.255 9.982 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.379 10.450 -4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.632 12.520 -5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.419 12.732 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.685 13.925 -5.677 1.00 0.00 H new ATOM 196 N LEU A 34 17.495 14.958 -3.227 1.00 0.00 N ATOM 197 CA LEU A 34 17.092 15.898 -2.164 1.00 0.00 C ATOM 198 C LEU A 34 17.293 17.371 -2.558 1.00 0.00 C ATOM 199 O LEU A 34 16.476 18.217 -2.198 1.00 0.00 O ATOM 200 CB LEU A 34 17.837 15.554 -0.858 1.00 0.00 C ATOM 201 CG LEU A 34 17.124 16.066 0.415 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.949 15.176 0.795 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.092 16.064 1.596 1.00 0.00 C ATOM 0 H LEU A 34 18.240 14.322 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 34 16.020 15.780 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.952 14.472 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.840 15.979 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 34 16.769 17.073 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.472 15.567 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.226 15.159 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.306 14.164 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.579 16.426 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.451 15.050 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.938 16.715 1.374 1.00 0.00 H new ATOM 215 N LYS A 35 18.304 17.680 -3.382 1.00 0.00 N ATOM 216 CA LYS A 35 18.484 19.025 -3.970 1.00 0.00 C ATOM 217 C LYS A 35 17.295 19.453 -4.846 1.00 0.00 C ATOM 218 O LYS A 35 16.989 20.640 -4.896 1.00 0.00 O ATOM 219 CB LYS A 35 19.805 19.100 -4.767 1.00 0.00 C ATOM 220 CG LYS A 35 21.012 19.713 -4.034 1.00 0.00 C ATOM 221 CD LYS A 35 21.557 18.925 -2.828 1.00 0.00 C ATOM 222 CE LYS A 35 20.801 19.152 -1.508 1.00 0.00 C ATOM 223 NZ LYS A 35 21.026 20.521 -0.957 1.00 0.00 N ATOM 0 H LYS A 35 19.021 17.010 -3.662 1.00 0.00 H new ATOM 0 HA LYS A 35 18.532 19.729 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.072 18.091 -5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.625 19.679 -5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.821 19.837 -4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.733 20.710 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.531 17.862 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.603 19.193 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.734 18.999 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.121 18.411 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.139 20.883 -0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.754 20.481 -0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.343 21.154 -1.719 1.00 0.00 H new ATOM 237 N ILE A 36 16.576 18.514 -5.469 1.00 0.00 N ATOM 238 CA ILE A 36 15.343 18.796 -6.227 1.00 0.00 C ATOM 239 C ILE A 36 14.199 19.168 -5.276 1.00 0.00 C ATOM 240 O ILE A 36 13.496 20.149 -5.508 1.00 0.00 O ATOM 241 CB ILE A 36 14.926 17.605 -7.118 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.079 17.103 -8.009 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.754 18.047 -8.007 1.00 0.00 C ATOM 244 CD1 ILE A 36 15.787 15.761 -8.679 1.00 0.00 C ATOM 0 H ILE A 36 16.832 17.527 -5.464 1.00 0.00 H new ATOM 0 HA ILE A 36 15.554 19.641 -6.882 1.00 0.00 H new ATOM 0 HB ILE A 36 14.639 16.780 -6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.285 17.848 -8.778 1.00 0.00 H new ATOM 0 HG13 ILE A 36 16.982 17.011 -7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.447 17.217 -8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.917 18.353 -7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.066 18.885 -8.630 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.640 15.467 -9.291 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.610 15.004 -7.915 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.903 15.854 -9.309 1.00 0.00 H new ATOM 256 N LEU A 37 14.043 18.432 -4.169 1.00 0.00 N ATOM 257 CA LEU A 37 13.048 18.730 -3.132 1.00 0.00 C ATOM 258 C LEU A 37 13.302 20.121 -2.515 1.00 0.00 C ATOM 259 O LEU A 37 12.361 20.890 -2.314 1.00 0.00 O ATOM 260 CB LEU A 37 13.046 17.616 -2.056 1.00 0.00 C ATOM 261 CG LEU A 37 12.442 16.240 -2.423 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.001 16.367 -2.884 1.00 0.00 C ATOM 263 CD2 LEU A 37 13.226 15.440 -3.452 1.00 0.00 C ATOM 0 H LEU A 37 14.608 17.607 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 37 12.059 18.754 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.078 17.453 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.507 17.994 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 37 12.496 15.679 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.610 15.380 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.401 16.804 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.956 17.008 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.720 14.493 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.291 16.007 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.230 15.246 -3.074 1.00 0.00 H new ATOM 275 N HIS A 38 14.573 20.489 -2.309 1.00 0.00 N ATOM 276 CA HIS A 38 14.966 21.840 -1.884 1.00 0.00 C ATOM 277 C HIS A 38 14.674 22.903 -2.959 1.00 0.00 C ATOM 278 O HIS A 38 14.096 23.944 -2.646 1.00 0.00 O ATOM 279 CB HIS A 38 16.445 21.848 -1.455 1.00 0.00 C ATOM 280 CG HIS A 38 16.803 20.932 -0.301 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.103 20.517 0.014 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.944 20.408 0.625 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.992 19.754 1.115 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.709 19.669 1.502 1.00 0.00 N ATOM 0 H HIS A 38 15.362 19.855 -2.433 1.00 0.00 H new ATOM 0 HA HIS A 38 14.355 22.112 -1.023 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.055 21.572 -2.315 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.719 22.867 -1.183 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.874 20.546 0.662 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.819 19.276 1.618 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.360 19.147 2.306 1.00 0.00 H new ATOM 292 N ALA A 39 14.980 22.633 -4.235 1.00 0.00 N ATOM 293 CA ALA A 39 14.685 23.534 -5.358 1.00 0.00 C ATOM 294 C ALA A 39 13.177 23.766 -5.576 1.00 0.00 C ATOM 295 O ALA A 39 12.777 24.836 -6.040 1.00 0.00 O ATOM 296 CB ALA A 39 15.315 22.959 -6.629 1.00 0.00 C ATOM 0 H ALA A 39 15.445 21.771 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 39 15.110 24.508 -5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.103 23.619 -7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.394 22.876 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.897 21.972 -6.828 1.00 0.00 H new ATOM 302 N ALA A 40 12.335 22.795 -5.203 1.00 0.00 N ATOM 303 CA ALA A 40 10.877 22.924 -5.205 1.00 0.00 C ATOM 304 C ALA A 40 10.336 23.831 -4.071 1.00 0.00 C ATOM 305 O ALA A 40 9.132 24.095 -4.014 1.00 0.00 O ATOM 306 CB ALA A 40 10.265 21.518 -5.138 1.00 0.00 C ATOM 0 H ALA A 40 12.657 21.881 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 40 10.582 23.422 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.178 21.594 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.589 20.939 -6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.593 21.021 -4.225 1.00 0.00 H new ATOM 312 N GLY A 41 11.207 24.303 -3.166 1.00 0.00 N ATOM 313 CA GLY A 41 10.869 25.175 -2.033 1.00 0.00 C ATOM 314 C GLY A 41 10.511 24.442 -0.730 1.00 0.00 C ATOM 315 O GLY A 41 10.053 25.085 0.218 1.00 0.00 O ATOM 0 H GLY A 41 12.201 24.079 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.713 25.837 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.028 25.807 -2.319 1.00 0.00 H new ATOM 319 N ALA A 42 10.708 23.120 -0.665 1.00 0.00 N ATOM 320 CA ALA A 42 10.428 22.290 0.511 1.00 0.00 C ATOM 321 C ALA A 42 11.685 22.008 1.362 1.00 0.00 C ATOM 322 O ALA A 42 12.821 22.188 0.914 1.00 0.00 O ATOM 323 CB ALA A 42 9.745 20.999 0.036 1.00 0.00 C ATOM 0 H ALA A 42 11.077 22.584 -1.451 1.00 0.00 H new ATOM 0 HA ALA A 42 9.760 22.835 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.527 20.365 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.816 21.247 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.407 20.468 -0.648 1.00 0.00 H new ATOM 329 N GLN A 43 11.476 21.520 2.589 1.00 0.00 N ATOM 330 CA GLN A 43 12.511 20.987 3.487 1.00 0.00 C ATOM 331 C GLN A 43 12.220 19.500 3.776 1.00 0.00 C ATOM 332 O GLN A 43 11.055 19.093 3.829 1.00 0.00 O ATOM 333 CB GLN A 43 12.579 21.870 4.750 1.00 0.00 C ATOM 334 CG GLN A 43 13.767 21.582 5.690 1.00 0.00 C ATOM 335 CD GLN A 43 13.583 20.400 6.650 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.491 19.905 6.904 1.00 0.00 O ATOM 337 NE2 GLN A 43 14.652 19.900 7.235 1.00 0.00 N ATOM 0 H GLN A 43 10.544 21.483 3.002 1.00 0.00 H new ATOM 0 HA GLN A 43 13.499 21.021 3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.626 22.914 4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.653 21.745 5.312 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.652 21.398 5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.966 22.477 6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.572 20.295 7.040 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.560 19.118 7.883 1.00 0.00 H new ATOM 346 N GLY A 44 13.264 18.676 3.924 1.00 0.00 N ATOM 347 CA GLY A 44 13.106 17.219 3.986 1.00 0.00 C ATOM 348 C GLY A 44 14.350 16.421 4.349 1.00 0.00 C ATOM 349 O GLY A 44 15.480 16.867 4.154 1.00 0.00 O ATOM 0 H GLY A 44 14.230 18.995 4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.328 16.990 4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.748 16.872 3.017 1.00 0.00 H new ATOM 353 N GLU A 45 14.096 15.204 4.832 1.00 0.00 N ATOM 354 CA GLU A 45 15.083 14.144 5.059 1.00 0.00 C ATOM 355 C GLU A 45 14.485 12.786 4.656 1.00 0.00 C ATOM 356 O GLU A 45 14.946 12.189 3.693 1.00 0.00 O ATOM 357 CB GLU A 45 15.561 14.134 6.523 1.00 0.00 C ATOM 358 CG GLU A 45 16.414 15.351 6.900 1.00 0.00 C ATOM 359 CD GLU A 45 16.983 15.205 8.324 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.096 14.647 8.486 1.00 0.00 O ATOM 361 OE2 GLU A 45 16.330 15.660 9.296 1.00 0.00 O ATOM 0 H GLU A 45 13.152 14.916 5.088 1.00 0.00 H new ATOM 0 HA GLU A 45 15.958 14.338 4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.692 14.093 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.139 13.227 6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.231 15.462 6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.811 16.257 6.836 1.00 0.00 H new ATOM 368 N MET A 46 13.426 12.332 5.338 1.00 0.00 N ATOM 369 CA MET A 46 12.692 11.069 5.110 1.00 0.00 C ATOM 370 C MET A 46 11.371 11.293 4.348 1.00 0.00 C ATOM 371 O MET A 46 10.663 12.268 4.616 1.00 0.00 O ATOM 372 CB MET A 46 12.367 10.341 6.429 1.00 0.00 C ATOM 373 CG MET A 46 13.562 9.760 7.198 1.00 0.00 C ATOM 374 SD MET A 46 14.712 10.922 7.992 1.00 0.00 S ATOM 375 CE MET A 46 13.581 11.848 9.063 1.00 0.00 C ATOM 0 H MET A 46 13.030 12.865 6.112 1.00 0.00 H new ATOM 0 HA MET A 46 13.360 10.453 4.508 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.845 11.038 7.084 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.674 9.529 6.210 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.172 9.097 7.970 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.136 9.142 6.507 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.155 12.407 9.802 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.994 12.541 8.460 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.912 11.154 9.572 1.00 0.00 H new ATOM 385 N PHE A 47 11.019 10.377 3.434 1.00 0.00 N ATOM 386 CA PHE A 47 9.845 10.491 2.552 1.00 0.00 C ATOM 387 C PHE A 47 9.299 9.131 2.068 1.00 0.00 C ATOM 388 O PHE A 47 10.010 8.124 2.038 1.00 0.00 O ATOM 389 CB PHE A 47 10.223 11.244 1.259 1.00 0.00 C ATOM 390 CG PHE A 47 10.861 12.619 1.328 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.210 12.739 1.700 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.167 13.760 0.877 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.859 13.977 1.635 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.823 15.002 0.792 1.00 0.00 C ATOM 395 CZ PHE A 47 12.177 15.106 1.156 1.00 0.00 C ATOM 0 H PHE A 47 11.551 9.520 3.283 1.00 0.00 H new ATOM 0 HA PHE A 47 9.095 11.004 3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.903 10.601 0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.314 11.340 0.665 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.751 11.868 2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.127 13.681 0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.887 14.064 1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.287 15.874 0.448 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.691 16.052 1.067 1.00 0.00 H new ATOM 405 N THR A 48 8.038 9.115 1.631 1.00 0.00 N ATOM 406 CA THR A 48 7.413 8.018 0.865 1.00 0.00 C ATOM 407 C THR A 48 7.521 8.361 -0.637 1.00 0.00 C ATOM 408 O THR A 48 7.898 9.489 -0.976 1.00 0.00 O ATOM 409 CB THR A 48 5.921 7.876 1.211 1.00 0.00 C ATOM 410 OG1 THR A 48 5.265 9.087 0.920 1.00 0.00 O ATOM 411 CG2 THR A 48 5.657 7.552 2.673 1.00 0.00 C ATOM 0 H THR A 48 7.396 9.889 1.803 1.00 0.00 H new ATOM 0 HA THR A 48 7.922 7.086 1.109 1.00 0.00 H new ATOM 0 HB THR A 48 5.549 7.043 0.614 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.354 9.061 1.281 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.583 7.468 2.839 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.139 6.609 2.929 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.060 8.347 3.300 1.00 0.00 H new ATOM 419 N VAL A 49 7.116 7.477 -1.570 1.00 0.00 N ATOM 420 CA VAL A 49 6.995 7.896 -2.992 1.00 0.00 C ATOM 421 C VAL A 49 6.004 9.051 -3.113 1.00 0.00 C ATOM 422 O VAL A 49 6.303 10.004 -3.817 1.00 0.00 O ATOM 423 CB VAL A 49 6.664 6.740 -3.975 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.364 6.866 -4.790 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.776 6.614 -5.025 1.00 0.00 C ATOM 0 H VAL A 49 6.874 6.504 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 49 7.983 8.237 -3.301 1.00 0.00 H new ATOM 0 HB VAL A 49 6.557 5.885 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.253 5.995 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.513 6.925 -4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.404 7.767 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.538 5.801 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.858 7.547 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.723 6.404 -4.528 1.00 0.00 H new ATOM 435 N LYS A 50 4.884 9.022 -2.374 1.00 0.00 N ATOM 436 CA LYS A 50 3.860 10.078 -2.361 1.00 0.00 C ATOM 437 C LYS A 50 4.415 11.438 -1.914 1.00 0.00 C ATOM 438 O LYS A 50 4.156 12.454 -2.557 1.00 0.00 O ATOM 439 CB LYS A 50 2.706 9.592 -1.476 1.00 0.00 C ATOM 440 CG LYS A 50 1.466 10.487 -1.569 1.00 0.00 C ATOM 441 CD LYS A 50 0.335 9.828 -0.775 1.00 0.00 C ATOM 442 CE LYS A 50 -0.939 10.681 -0.836 1.00 0.00 C ATOM 443 NZ LYS A 50 -2.057 10.054 -0.079 1.00 0.00 N ATOM 0 H LYS A 50 4.660 8.244 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 50 3.500 10.254 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.437 8.576 -1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.042 9.551 -0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.682 11.478 -1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.171 10.620 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.133 8.835 -1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.641 9.696 0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.734 11.671 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.235 10.819 -1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.901 10.658 -0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.269 9.120 -0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.783 9.946 0.918 1.00 0.00 H new ATOM 457 N GLU A 51 5.230 11.458 -0.859 1.00 0.00 N ATOM 458 CA GLU A 51 5.845 12.691 -0.348 1.00 0.00 C ATOM 459 C GLU A 51 6.963 13.219 -1.263 1.00 0.00 C ATOM 460 O GLU A 51 7.055 14.432 -1.452 1.00 0.00 O ATOM 461 CB GLU A 51 6.361 12.484 1.082 1.00 0.00 C ATOM 462 CG GLU A 51 5.221 12.327 2.096 1.00 0.00 C ATOM 463 CD GLU A 51 5.768 12.195 3.532 1.00 0.00 C ATOM 464 OE1 GLU A 51 6.524 11.235 3.815 1.00 0.00 O ATOM 465 OE2 GLU A 51 5.437 13.054 4.387 1.00 0.00 O ATOM 0 H GLU A 51 5.485 10.622 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 51 5.066 13.453 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.995 11.598 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.984 13.332 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.555 13.188 2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.628 11.447 1.847 1.00 0.00 H new ATOM 472 N VAL A 52 7.771 12.346 -1.888 1.00 0.00 N ATOM 473 CA VAL A 52 8.737 12.783 -2.921 1.00 0.00 C ATOM 474 C VAL A 52 8.006 13.320 -4.150 1.00 0.00 C ATOM 475 O VAL A 52 8.280 14.428 -4.609 1.00 0.00 O ATOM 476 CB VAL A 52 9.706 11.653 -3.351 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.611 12.063 -4.523 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.631 11.238 -2.206 1.00 0.00 C ATOM 0 H VAL A 52 7.778 11.343 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 52 9.333 13.576 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 52 9.059 10.828 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.269 11.233 -4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.996 12.321 -5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.211 12.926 -4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.296 10.444 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.223 12.096 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.034 10.878 -1.368 1.00 0.00 H new ATOM 488 N MET A 53 7.065 12.542 -4.686 1.00 0.00 N ATOM 489 CA MET A 53 6.439 12.801 -5.980 1.00 0.00 C ATOM 490 C MET A 53 5.534 14.037 -5.990 1.00 0.00 C ATOM 491 O MET A 53 5.418 14.674 -7.034 1.00 0.00 O ATOM 492 CB MET A 53 5.768 11.523 -6.515 1.00 0.00 C ATOM 493 CG MET A 53 4.403 11.185 -5.893 1.00 0.00 C ATOM 494 SD MET A 53 2.977 12.211 -6.346 1.00 0.00 S ATOM 495 CE MET A 53 2.878 11.825 -8.103 1.00 0.00 C ATOM 0 H MET A 53 6.712 11.703 -4.226 1.00 0.00 H new ATOM 0 HA MET A 53 7.229 13.066 -6.683 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.642 11.623 -7.593 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.442 10.682 -6.349 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.166 10.153 -6.151 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.512 11.226 -4.809 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.239 12.555 -8.600 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.876 11.859 -8.540 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.459 10.827 -8.233 1.00 0.00 H new ATOM 505 N HIS A 54 4.968 14.439 -4.845 1.00 0.00 N ATOM 506 CA HIS A 54 4.215 15.693 -4.719 1.00 0.00 C ATOM 507 C HIS A 54 5.095 16.907 -5.051 1.00 0.00 C ATOM 508 O HIS A 54 4.768 17.698 -5.940 1.00 0.00 O ATOM 509 CB HIS A 54 3.632 15.792 -3.301 1.00 0.00 C ATOM 510 CG HIS A 54 2.949 17.112 -3.030 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.691 17.492 -3.508 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.480 18.143 -2.310 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.492 18.745 -3.060 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.550 19.159 -2.339 1.00 0.00 N ATOM 0 H HIS A 54 5.019 13.903 -3.979 1.00 0.00 H new ATOM 0 HA HIS A 54 3.396 15.692 -5.439 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.917 14.983 -3.152 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.432 15.648 -2.575 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.440 18.159 -1.815 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.608 19.335 -3.252 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.647 20.070 -1.890 1.00 0.00 H new ATOM 522 N TYR A 55 6.251 17.021 -4.389 1.00 0.00 N ATOM 523 CA TYR A 55 7.200 18.113 -4.624 1.00 0.00 C ATOM 524 C TYR A 55 7.978 17.961 -5.940 1.00 0.00 C ATOM 525 O TYR A 55 8.289 18.966 -6.573 1.00 0.00 O ATOM 526 CB TYR A 55 8.127 18.240 -3.415 1.00 0.00 C ATOM 527 CG TYR A 55 7.435 18.721 -2.152 1.00 0.00 C ATOM 528 CD1 TYR A 55 6.847 20.002 -2.113 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.371 17.888 -1.017 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.191 20.447 -0.948 1.00 0.00 C ATOM 531 CE2 TYR A 55 6.722 18.331 0.151 1.00 0.00 C ATOM 532 CZ TYR A 55 6.130 19.612 0.190 1.00 0.00 C ATOM 533 OH TYR A 55 5.503 20.032 1.325 1.00 0.00 O ATOM 0 H TYR A 55 6.555 16.359 -3.675 1.00 0.00 H new ATOM 0 HA TYR A 55 6.635 19.038 -4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.586 17.271 -3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.934 18.931 -3.660 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.900 20.645 -2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.821 16.907 -1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.735 21.426 -0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.677 17.690 1.019 1.00 0.00 H new ATOM 0 HH TYR A 55 5.556 19.330 2.007 1.00 0.00 H new ATOM 543 N LEU A 56 8.238 16.735 -6.410 1.00 0.00 N ATOM 544 CA LEU A 56 8.838 16.493 -7.731 1.00 0.00 C ATOM 545 C LEU A 56 7.893 16.855 -8.888 1.00 0.00 C ATOM 546 O LEU A 56 8.335 17.470 -9.854 1.00 0.00 O ATOM 547 CB LEU A 56 9.323 15.032 -7.830 1.00 0.00 C ATOM 548 CG LEU A 56 10.840 14.817 -7.697 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.565 15.263 -8.966 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.454 15.510 -6.487 1.00 0.00 C ATOM 0 H LEU A 56 8.039 15.882 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 56 9.697 17.157 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.824 14.451 -7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.001 14.627 -8.789 1.00 0.00 H new ATOM 0 HG LEU A 56 10.972 13.745 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.637 15.102 -8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.202 14.684 -9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.375 16.322 -9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.526 15.313 -6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.284 16.584 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.992 15.129 -5.576 1.00 0.00 H new ATOM 562 N GLY A 57 6.595 16.558 -8.775 1.00 0.00 N ATOM 563 CA GLY A 57 5.577 16.991 -9.738 1.00 0.00 C ATOM 564 C GLY A 57 5.446 18.517 -9.777 1.00 0.00 C ATOM 565 O GLY A 57 5.462 19.113 -10.853 1.00 0.00 O ATOM 0 H GLY A 57 6.217 16.005 -8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.835 16.623 -10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.616 16.550 -9.474 1.00 0.00 H new ATOM 569 N GLN A 58 5.437 19.167 -8.606 1.00 0.00 N ATOM 570 CA GLN A 58 5.520 20.629 -8.474 1.00 0.00 C ATOM 571 C GLN A 58 6.803 21.198 -9.110 1.00 0.00 C ATOM 572 O GLN A 58 6.734 22.172 -9.860 1.00 0.00 O ATOM 573 CB GLN A 58 5.393 20.992 -6.980 1.00 0.00 C ATOM 574 CG GLN A 58 5.838 22.414 -6.593 1.00 0.00 C ATOM 575 CD GLN A 58 5.128 23.539 -7.351 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.987 23.433 -7.784 1.00 0.00 O ATOM 577 NE2 GLN A 58 5.780 24.669 -7.530 1.00 0.00 N ATOM 0 H GLN A 58 5.371 18.685 -7.709 1.00 0.00 H new ATOM 0 HA GLN A 58 4.700 21.090 -9.025 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.352 20.864 -6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.980 20.279 -6.402 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.671 22.553 -5.525 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.911 22.502 -6.762 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.731 24.771 -7.175 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.334 25.442 -8.024 1.00 0.00 H new ATOM 586 N TYR A 59 7.964 20.583 -8.864 1.00 0.00 N ATOM 587 CA TYR A 59 9.241 20.997 -9.445 1.00 0.00 C ATOM 588 C TYR A 59 9.186 20.910 -10.981 1.00 0.00 C ATOM 589 O TYR A 59 9.420 21.895 -11.676 1.00 0.00 O ATOM 590 CB TYR A 59 10.371 20.137 -8.865 1.00 0.00 C ATOM 591 CG TYR A 59 11.707 20.327 -9.547 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.614 21.313 -9.116 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.029 19.498 -10.635 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.844 21.465 -9.791 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.240 19.657 -11.325 1.00 0.00 C ATOM 596 CZ TYR A 59 14.162 20.639 -10.895 1.00 0.00 C ATOM 597 OH TYR A 59 15.356 20.796 -11.524 1.00 0.00 O ATOM 0 H TYR A 59 8.042 19.774 -8.248 1.00 0.00 H new ATOM 0 HA TYR A 59 9.440 22.037 -9.188 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.481 20.368 -7.805 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.086 19.087 -8.935 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.371 21.947 -8.276 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.336 18.729 -10.944 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.547 22.216 -9.463 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.466 19.034 -12.178 1.00 0.00 H new ATOM 0 HH TYR A 59 15.645 19.937 -11.896 1.00 0.00 H new ATOM 607 N ILE A 60 8.771 19.762 -11.521 1.00 0.00 N ATOM 608 CA ILE A 60 8.625 19.529 -12.966 1.00 0.00 C ATOM 609 C ILE A 60 7.631 20.524 -13.588 1.00 0.00 C ATOM 610 O ILE A 60 7.908 21.063 -14.657 1.00 0.00 O ATOM 611 CB ILE A 60 8.259 18.042 -13.191 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.528 17.179 -12.965 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.658 17.780 -14.586 1.00 0.00 C ATOM 614 CD1 ILE A 60 9.249 15.686 -12.754 1.00 0.00 C ATOM 0 H ILE A 60 8.521 18.949 -10.957 1.00 0.00 H new ATOM 0 HA ILE A 60 9.565 19.715 -13.485 1.00 0.00 H new ATOM 0 HB ILE A 60 7.484 17.769 -12.475 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.189 17.295 -13.824 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.064 17.562 -12.097 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.421 16.721 -14.687 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.749 18.369 -14.707 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.379 18.065 -15.352 1.00 0.00 H new ATOM 0 HD11 ILE A 60 10.190 15.158 -12.604 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.615 15.555 -11.877 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.743 15.283 -13.631 1.00 0.00 H new ATOM 626 N MET A 61 6.536 20.852 -12.898 1.00 0.00 N ATOM 627 CA MET A 61 5.560 21.863 -13.323 1.00 0.00 C ATOM 628 C MET A 61 6.157 23.282 -13.374 1.00 0.00 C ATOM 629 O MET A 61 5.925 23.994 -14.350 1.00 0.00 O ATOM 630 CB MET A 61 4.342 21.785 -12.383 1.00 0.00 C ATOM 631 CG MET A 61 3.199 22.778 -12.638 1.00 0.00 C ATOM 632 SD MET A 61 2.105 22.403 -14.038 1.00 0.00 S ATOM 633 CE MET A 61 2.949 23.282 -15.375 1.00 0.00 C ATOM 0 H MET A 61 6.296 20.414 -12.009 1.00 0.00 H new ATOM 0 HA MET A 61 5.251 21.648 -14.346 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.933 20.776 -12.441 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.693 21.928 -11.361 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.591 22.839 -11.735 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.633 23.765 -12.797 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.228 23.548 -16.148 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.409 24.188 -14.981 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.719 22.640 -15.803 1.00 0.00 H new ATOM 643 N VAL A 62 6.919 23.719 -12.361 1.00 0.00 N ATOM 644 CA VAL A 62 7.485 25.079 -12.282 1.00 0.00 C ATOM 645 C VAL A 62 8.732 25.280 -13.153 1.00 0.00 C ATOM 646 O VAL A 62 8.972 26.380 -13.652 1.00 0.00 O ATOM 647 CB VAL A 62 7.675 25.502 -10.813 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.828 24.820 -10.077 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.881 27.008 -10.702 1.00 0.00 C ATOM 0 H VAL A 62 7.164 23.133 -11.563 1.00 0.00 H new ATOM 0 HA VAL A 62 6.756 25.760 -12.721 1.00 0.00 H new ATOM 0 HB VAL A 62 6.752 25.180 -10.332 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.874 25.188 -9.052 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.667 23.742 -10.068 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.766 25.043 -10.585 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.013 27.281 -9.655 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.768 27.297 -11.267 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.010 27.525 -11.105 1.00 0.00 H new ATOM 659 N LYS A 63 9.503 24.207 -13.369 1.00 0.00 N ATOM 660 CA LYS A 63 10.685 24.182 -14.257 1.00 0.00 C ATOM 661 C LYS A 63 10.352 23.781 -15.705 1.00 0.00 C ATOM 662 O LYS A 63 11.158 24.024 -16.602 1.00 0.00 O ATOM 663 CB LYS A 63 11.773 23.252 -13.674 1.00 0.00 C ATOM 664 CG LYS A 63 12.248 23.544 -12.236 1.00 0.00 C ATOM 665 CD LYS A 63 12.432 25.030 -11.907 1.00 0.00 C ATOM 666 CE LYS A 63 13.085 25.161 -10.522 1.00 0.00 C ATOM 667 NZ LYS A 63 13.358 26.581 -10.162 1.00 0.00 N ATOM 0 H LYS A 63 9.323 23.308 -12.923 1.00 0.00 H new ATOM 0 HA LYS A 63 11.062 25.204 -14.302 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.397 22.230 -13.705 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.641 23.292 -14.332 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.528 23.119 -11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.195 23.030 -12.070 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.055 25.508 -12.663 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.469 25.540 -11.918 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.432 24.716 -9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.018 24.598 -10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.798 26.622 -9.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.001 26.999 -10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.465 27.114 -10.150 1.00 0.00 H new ATOM 681 N GLN A 64 9.168 23.200 -15.929 1.00 0.00 N ATOM 682 CA GLN A 64 8.697 22.602 -17.183 1.00 0.00 C ATOM 683 C GLN A 64 9.704 21.594 -17.783 1.00 0.00 C ATOM 684 O GLN A 64 10.372 21.870 -18.782 1.00 0.00 O ATOM 685 CB GLN A 64 8.214 23.642 -18.215 1.00 0.00 C ATOM 686 CG GLN A 64 7.064 24.547 -17.745 1.00 0.00 C ATOM 687 CD GLN A 64 7.537 25.809 -17.023 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.381 26.563 -17.493 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.000 26.109 -15.863 1.00 0.00 N ATOM 0 H GLN A 64 8.468 23.131 -15.191 1.00 0.00 H new ATOM 0 HA GLN A 64 7.813 22.026 -16.912 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.059 24.271 -18.495 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.896 23.116 -19.115 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.463 24.835 -18.608 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.414 23.979 -17.079 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.296 25.496 -15.453 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.287 26.955 -15.372 1.00 0.00 H new ATOM 698 N LEU A 65 9.811 20.405 -17.171 1.00 0.00 N ATOM 699 CA LEU A 65 10.719 19.330 -17.616 1.00 0.00 C ATOM 700 C LEU A 65 10.066 18.417 -18.679 1.00 0.00 C ATOM 701 O LEU A 65 10.699 17.507 -19.213 1.00 0.00 O ATOM 702 CB LEU A 65 11.240 18.578 -16.380 1.00 0.00 C ATOM 703 CG LEU A 65 12.603 17.889 -16.583 1.00 0.00 C ATOM 704 CD1 LEU A 65 13.753 18.871 -16.834 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.936 17.124 -15.310 1.00 0.00 C ATOM 0 H LEU A 65 9.266 20.158 -16.345 1.00 0.00 H new ATOM 0 HA LEU A 65 11.578 19.762 -18.129 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.321 19.280 -15.550 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.506 17.826 -16.091 1.00 0.00 H new ATOM 0 HG LEU A 65 12.511 17.250 -17.461 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.682 18.317 -16.968 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.545 19.453 -17.732 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.851 19.542 -15.981 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.898 16.625 -15.426 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.986 17.818 -14.471 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.162 16.380 -15.120 1.00 0.00 H new ATOM 717 N TYR A 66 8.785 18.652 -18.975 1.00 0.00 N ATOM 718 CA TYR A 66 7.979 17.949 -19.972 1.00 0.00 C ATOM 719 C TYR A 66 7.883 18.738 -21.287 1.00 0.00 C ATOM 720 O TYR A 66 8.089 19.955 -21.308 1.00 0.00 O ATOM 721 CB TYR A 66 6.584 17.655 -19.383 1.00 0.00 C ATOM 722 CG TYR A 66 5.792 18.915 -19.074 1.00 0.00 C ATOM 723 CD1 TYR A 66 5.953 19.573 -17.837 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.955 19.473 -20.060 1.00 0.00 C ATOM 725 CE1 TYR A 66 5.320 20.810 -17.609 1.00 0.00 C ATOM 726 CE2 TYR A 66 4.319 20.709 -19.835 1.00 0.00 C ATOM 727 CZ TYR A 66 4.514 21.389 -18.613 1.00 0.00 C ATOM 728 OH TYR A 66 3.936 22.604 -18.401 1.00 0.00 O ATOM 0 H TYR A 66 8.254 19.380 -18.497 1.00 0.00 H new ATOM 0 HA TYR A 66 8.467 17.005 -20.216 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.021 17.042 -20.086 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.697 17.071 -18.470 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.562 19.128 -17.064 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.800 18.951 -20.993 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.451 21.317 -16.664 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.683 21.136 -20.596 1.00 0.00 H new ATOM 0 HH TYR A 66 3.415 22.861 -19.190 1.00 0.00 H new ATOM 738 N ASP A 67 7.543 18.055 -22.384 1.00 0.00 N ATOM 739 CA ASP A 67 7.194 18.719 -23.646 1.00 0.00 C ATOM 740 C ASP A 67 5.675 18.948 -23.706 1.00 0.00 C ATOM 741 O ASP A 67 4.904 18.037 -23.396 1.00 0.00 O ATOM 742 CB ASP A 67 7.702 17.922 -24.855 1.00 0.00 C ATOM 743 CG ASP A 67 7.549 18.726 -26.159 1.00 0.00 C ATOM 744 OD1 ASP A 67 6.399 18.952 -26.604 1.00 0.00 O ATOM 745 OD2 ASP A 67 8.578 19.146 -26.739 1.00 0.00 O ATOM 0 H ASP A 67 7.502 17.037 -22.424 1.00 0.00 H new ATOM 0 HA ASP A 67 7.689 19.690 -23.685 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.750 17.661 -24.707 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.149 16.986 -24.935 1.00 0.00 H new ATOM 750 N GLN A 68 5.221 20.145 -24.101 1.00 0.00 N ATOM 751 CA GLN A 68 3.793 20.494 -24.076 1.00 0.00 C ATOM 752 C GLN A 68 2.931 19.565 -24.946 1.00 0.00 C ATOM 753 O GLN A 68 1.767 19.328 -24.617 1.00 0.00 O ATOM 754 CB GLN A 68 3.605 21.979 -24.464 1.00 0.00 C ATOM 755 CG GLN A 68 3.382 22.263 -25.969 1.00 0.00 C ATOM 756 CD GLN A 68 1.907 22.297 -26.377 1.00 0.00 C ATOM 757 OE1 GLN A 68 1.089 23.036 -25.841 1.00 0.00 O ATOM 758 NE2 GLN A 68 1.511 21.504 -27.352 1.00 0.00 N ATOM 0 H GLN A 68 5.825 20.892 -24.444 1.00 0.00 H new ATOM 0 HA GLN A 68 3.439 20.349 -23.055 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.754 22.374 -23.910 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.484 22.534 -24.136 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.842 23.219 -26.221 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.894 21.499 -26.554 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.180 20.883 -27.808 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.536 21.511 -27.651 1.00 0.00 H new ATOM 767 N GLN A 69 3.489 19.055 -26.056 1.00 0.00 N ATOM 768 CA GLN A 69 2.742 18.338 -27.084 1.00 0.00 C ATOM 769 C GLN A 69 2.605 16.831 -26.775 1.00 0.00 C ATOM 770 O GLN A 69 1.716 16.151 -27.289 1.00 0.00 O ATOM 771 CB GLN A 69 3.369 18.656 -28.453 1.00 0.00 C ATOM 772 CG GLN A 69 4.441 17.668 -28.923 1.00 0.00 C ATOM 773 CD GLN A 69 5.408 18.311 -29.913 1.00 0.00 C ATOM 774 OE1 GLN A 69 5.291 18.184 -31.127 1.00 0.00 O ATOM 775 NE2 GLN A 69 6.385 19.045 -29.427 1.00 0.00 N ATOM 0 H GLN A 69 4.485 19.134 -26.261 1.00 0.00 H new ATOM 0 HA GLN A 69 1.708 18.684 -27.103 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.575 18.689 -29.200 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.809 19.652 -28.411 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.996 17.297 -28.062 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.962 16.807 -29.389 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.487 19.154 -28.418 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.040 19.505 -30.059 1.00 0.00 H new ATOM 784 N GLU A 70 3.495 16.331 -25.913 1.00 0.00 N ATOM 785 CA GLU A 70 3.625 14.942 -25.451 1.00 0.00 C ATOM 786 C GLU A 70 3.961 14.909 -23.945 1.00 0.00 C ATOM 787 O GLU A 70 5.018 14.436 -23.526 1.00 0.00 O ATOM 788 CB GLU A 70 4.670 14.178 -26.293 1.00 0.00 C ATOM 789 CG GLU A 70 4.197 13.932 -27.730 1.00 0.00 C ATOM 790 CD GLU A 70 5.116 12.937 -28.463 1.00 0.00 C ATOM 791 OE1 GLU A 70 6.178 13.352 -28.988 1.00 0.00 O ATOM 792 OE2 GLU A 70 4.770 11.732 -28.540 1.00 0.00 O ATOM 0 H GLU A 70 4.199 16.932 -25.485 1.00 0.00 H new ATOM 0 HA GLU A 70 2.671 14.434 -25.589 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.601 14.744 -26.312 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.888 13.222 -25.817 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.178 13.547 -27.718 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.174 14.876 -28.274 1.00 0.00 H new ATOM 799 N GLN A 71 3.038 15.415 -23.114 1.00 0.00 N ATOM 800 CA GLN A 71 3.196 15.481 -21.647 1.00 0.00 C ATOM 801 C GLN A 71 3.381 14.098 -20.992 1.00 0.00 C ATOM 802 O GLN A 71 3.930 14.006 -19.893 1.00 0.00 O ATOM 803 CB GLN A 71 1.975 16.184 -21.034 1.00 0.00 C ATOM 804 CG GLN A 71 2.001 17.692 -21.307 1.00 0.00 C ATOM 805 CD GLN A 71 0.634 18.357 -21.162 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.072 18.206 -20.172 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.210 19.127 -22.143 1.00 0.00 N ATOM 0 H GLN A 71 2.150 15.795 -23.442 1.00 0.00 H new ATOM 0 HA GLN A 71 4.107 16.046 -21.450 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.062 15.754 -21.445 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.954 16.008 -19.959 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.702 18.166 -20.620 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.376 17.865 -22.316 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.788 19.261 -22.973 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.697 19.589 -22.073 1.00 0.00 H new ATOM 816 N HIS A 72 2.986 13.018 -21.685 1.00 0.00 N ATOM 817 CA HIS A 72 3.272 11.630 -21.295 1.00 0.00 C ATOM 818 C HIS A 72 4.773 11.284 -21.276 1.00 0.00 C ATOM 819 O HIS A 72 5.121 10.208 -20.793 1.00 0.00 O ATOM 820 CB HIS A 72 2.478 10.657 -22.184 1.00 0.00 C ATOM 821 CG HIS A 72 2.904 10.647 -23.635 1.00 0.00 C ATOM 822 ND1 HIS A 72 4.047 10.020 -24.139 1.00 0.00 N ATOM 823 CD2 HIS A 72 2.233 11.238 -24.667 1.00 0.00 C ATOM 824 CE1 HIS A 72 4.046 10.259 -25.462 1.00 0.00 C ATOM 825 NE2 HIS A 72 2.965 10.980 -25.806 1.00 0.00 N ATOM 0 H HIS A 72 2.448 13.088 -22.549 1.00 0.00 H new ATOM 0 HA HIS A 72 2.944 11.521 -20.261 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.581 9.650 -21.781 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.420 10.916 -22.130 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.311 11.797 -24.603 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.806 9.920 -26.151 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.727 11.285 -26.750 1.00 0.00 H new ATOM 833 N MET A 73 5.658 12.175 -21.740 1.00 0.00 N ATOM 834 CA MET A 73 7.113 12.085 -21.585 1.00 0.00 C ATOM 835 C MET A 73 7.711 13.289 -20.844 1.00 0.00 C ATOM 836 O MET A 73 7.244 14.426 -20.950 1.00 0.00 O ATOM 837 CB MET A 73 7.824 11.895 -22.935 1.00 0.00 C ATOM 838 CG MET A 73 7.807 10.427 -23.364 1.00 0.00 C ATOM 839 SD MET A 73 9.023 9.960 -24.628 1.00 0.00 S ATOM 840 CE MET A 73 10.559 10.011 -23.652 1.00 0.00 C ATOM 0 H MET A 73 5.369 13.008 -22.252 1.00 0.00 H new ATOM 0 HA MET A 73 7.285 11.201 -20.971 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.336 12.505 -23.695 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.854 12.243 -22.859 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.972 9.808 -22.482 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.812 10.189 -23.739 1.00 0.00 H new ATOM 0 HE1 MET A 73 11.403 9.747 -24.289 1.00 0.00 H new ATOM 0 HE2 MET A 73 10.704 11.016 -23.255 1.00 0.00 H new ATOM 0 HE3 MET A 73 10.490 9.301 -22.828 1.00 0.00 H new ATOM 850 N VAL A 74 8.804 13.019 -20.127 1.00 0.00 N ATOM 851 CA VAL A 74 9.651 14.002 -19.437 1.00 0.00 C ATOM 852 C VAL A 74 11.100 13.860 -19.917 1.00 0.00 C ATOM 853 O VAL A 74 11.551 12.749 -20.208 1.00 0.00 O ATOM 854 CB VAL A 74 9.484 13.864 -17.911 1.00 0.00 C ATOM 855 CG1 VAL A 74 10.128 12.603 -17.339 1.00 0.00 C ATOM 856 CG2 VAL A 74 10.012 15.070 -17.135 1.00 0.00 C ATOM 0 H VAL A 74 9.141 12.064 -20.004 1.00 0.00 H new ATOM 0 HA VAL A 74 9.340 15.017 -19.684 1.00 0.00 H new ATOM 0 HB VAL A 74 8.404 13.799 -17.778 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.971 12.572 -16.261 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.676 11.724 -17.797 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.197 12.613 -17.550 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.864 14.909 -16.067 1.00 0.00 H new ATOM 0 HG22 VAL A 74 11.075 15.197 -17.339 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.474 15.966 -17.445 1.00 0.00 H new ATOM 866 N TYR A 75 11.821 14.979 -20.023 1.00 0.00 N ATOM 867 CA TYR A 75 13.145 15.065 -20.646 1.00 0.00 C ATOM 868 C TYR A 75 14.139 15.762 -19.707 1.00 0.00 C ATOM 869 O TYR A 75 14.060 16.967 -19.475 1.00 0.00 O ATOM 870 CB TYR A 75 13.022 15.783 -21.997 1.00 0.00 C ATOM 871 CG TYR A 75 12.110 15.081 -22.988 1.00 0.00 C ATOM 872 CD1 TYR A 75 12.582 13.962 -23.701 1.00 0.00 C ATOM 873 CD2 TYR A 75 10.794 15.543 -23.193 1.00 0.00 C ATOM 874 CE1 TYR A 75 11.754 13.329 -24.648 1.00 0.00 C ATOM 875 CE2 TYR A 75 9.959 14.904 -24.131 1.00 0.00 C ATOM 876 CZ TYR A 75 10.444 13.806 -24.875 1.00 0.00 C ATOM 877 OH TYR A 75 9.665 13.212 -25.821 1.00 0.00 O ATOM 0 H TYR A 75 11.491 15.876 -19.668 1.00 0.00 H new ATOM 0 HA TYR A 75 13.535 14.063 -20.828 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.649 16.793 -21.828 1.00 0.00 H new ATOM 0 HB3 TYR A 75 14.014 15.880 -22.437 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.580 13.589 -23.521 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.425 16.388 -22.630 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.121 12.477 -25.202 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.948 15.254 -24.281 1.00 0.00 H new ATOM 0 HH TYR A 75 9.466 12.291 -25.550 1.00 0.00 H new ATOM 887 N CYS A 76 15.098 15.004 -19.174 1.00 0.00 N ATOM 888 CA CYS A 76 15.992 15.429 -18.085 1.00 0.00 C ATOM 889 C CYS A 76 17.174 16.350 -18.474 1.00 0.00 C ATOM 890 O CYS A 76 18.132 16.456 -17.706 1.00 0.00 O ATOM 891 CB CYS A 76 16.479 14.170 -17.353 1.00 0.00 C ATOM 892 SG CYS A 76 17.626 13.243 -18.423 1.00 0.00 S ATOM 0 H CYS A 76 15.283 14.053 -19.492 1.00 0.00 H new ATOM 0 HA CYS A 76 15.397 16.074 -17.438 1.00 0.00 H new ATOM 0 HB2 CYS A 76 16.977 14.447 -16.424 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.629 13.542 -17.084 1.00 0.00 H new ATOM 0 HG CYS A 76 16.994 12.830 -19.482 1.00 0.00 H new ATOM 898 N GLY A 77 17.153 16.991 -19.648 1.00 0.00 N ATOM 899 CA GLY A 77 18.284 17.764 -20.185 1.00 0.00 C ATOM 900 C GLY A 77 18.816 18.831 -19.215 1.00 0.00 C ATOM 901 O GLY A 77 18.122 19.802 -18.904 1.00 0.00 O ATOM 0 H GLY A 77 16.339 16.989 -20.263 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.093 17.079 -20.438 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.975 18.249 -21.111 1.00 0.00 H new ATOM 905 N GLY A 78 20.049 18.639 -18.732 1.00 0.00 N ATOM 906 CA GLY A 78 20.720 19.516 -17.761 1.00 0.00 C ATOM 907 C GLY A 78 20.207 19.427 -16.311 1.00 0.00 C ATOM 908 O GLY A 78 20.586 20.261 -15.485 1.00 0.00 O ATOM 0 H GLY A 78 20.626 17.846 -19.013 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.785 19.283 -17.765 1.00 0.00 H new ATOM 0 HA3 GLY A 78 20.618 20.547 -18.100 1.00 0.00 H new ATOM 912 N ASP A 79 19.346 18.458 -15.978 1.00 0.00 N ATOM 913 CA ASP A 79 18.720 18.325 -14.657 1.00 0.00 C ATOM 914 C ASP A 79 19.570 17.524 -13.651 1.00 0.00 C ATOM 915 O ASP A 79 20.390 16.676 -14.015 1.00 0.00 O ATOM 916 CB ASP A 79 17.327 17.696 -14.810 1.00 0.00 C ATOM 917 CG ASP A 79 16.470 17.925 -13.561 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.919 19.039 -13.405 1.00 0.00 O ATOM 919 OD2 ASP A 79 16.408 17.003 -12.720 1.00 0.00 O ATOM 0 H ASP A 79 19.059 17.730 -16.632 1.00 0.00 H new ATOM 0 HA ASP A 79 18.635 19.329 -14.242 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.827 18.123 -15.679 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.427 16.626 -14.993 1.00 0.00 H new ATOM 924 N LEU A 80 19.299 17.731 -12.360 1.00 0.00 N ATOM 925 CA LEU A 80 19.830 16.932 -11.253 1.00 0.00 C ATOM 926 C LEU A 80 19.558 15.421 -11.411 1.00 0.00 C ATOM 927 O LEU A 80 20.425 14.599 -11.108 1.00 0.00 O ATOM 928 CB LEU A 80 19.167 17.443 -9.962 1.00 0.00 C ATOM 929 CG LEU A 80 19.767 18.756 -9.424 1.00 0.00 C ATOM 930 CD1 LEU A 80 18.805 19.419 -8.440 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.086 18.503 -8.692 1.00 0.00 C ATOM 0 H LEU A 80 18.685 18.483 -12.047 1.00 0.00 H new ATOM 0 HA LEU A 80 20.914 17.045 -11.232 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.103 17.591 -10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.253 16.675 -9.193 1.00 0.00 H new ATOM 0 HG LEU A 80 19.941 19.404 -10.283 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.244 20.345 -8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.864 19.640 -8.944 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.619 18.746 -7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.485 19.448 -8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.913 17.831 -7.852 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.802 18.050 -9.378 1.00 0.00 H new ATOM 943 N LEU A 81 18.388 15.038 -11.939 1.00 0.00 N ATOM 944 CA LEU A 81 18.064 13.639 -12.250 1.00 0.00 C ATOM 945 C LEU A 81 19.044 13.053 -13.283 1.00 0.00 C ATOM 946 O LEU A 81 19.534 11.931 -13.129 1.00 0.00 O ATOM 947 CB LEU A 81 16.612 13.568 -12.772 1.00 0.00 C ATOM 948 CG LEU A 81 15.507 13.915 -11.761 1.00 0.00 C ATOM 949 CD1 LEU A 81 14.147 13.924 -12.459 1.00 0.00 C ATOM 950 CD2 LEU A 81 15.440 12.895 -10.619 1.00 0.00 C ATOM 0 H LEU A 81 17.637 15.691 -12.163 1.00 0.00 H new ATOM 0 HA LEU A 81 18.158 13.041 -11.343 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.521 14.243 -13.623 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.431 12.560 -13.144 1.00 0.00 H new ATOM 0 HG LEU A 81 15.745 14.897 -11.352 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.369 14.171 -11.737 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.152 14.668 -13.255 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.949 12.940 -12.883 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.647 13.176 -9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.232 11.906 -11.027 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.393 12.877 -10.091 1.00 0.00 H new ATOM 962 N GLY A 82 19.374 13.836 -14.312 1.00 0.00 N ATOM 963 CA GLY A 82 20.357 13.467 -15.327 1.00 0.00 C ATOM 964 C GLY A 82 21.793 13.459 -14.794 1.00 0.00 C ATOM 965 O GLY A 82 22.557 12.577 -15.176 1.00 0.00 O ATOM 0 H GLY A 82 18.960 14.756 -14.464 1.00 0.00 H new ATOM 0 HA2 GLY A 82 20.115 12.479 -15.717 1.00 0.00 H new ATOM 0 HA3 GLY A 82 20.289 14.165 -16.162 1.00 0.00 H new ATOM 969 N GLU A 83 22.170 14.341 -13.856 1.00 0.00 N ATOM 970 CA GLU A 83 23.509 14.286 -13.255 1.00 0.00 C ATOM 971 C GLU A 83 23.663 13.076 -12.308 1.00 0.00 C ATOM 972 O GLU A 83 24.759 12.523 -12.186 1.00 0.00 O ATOM 973 CB GLU A 83 23.890 15.646 -12.631 1.00 0.00 C ATOM 974 CG GLU A 83 23.630 15.815 -11.132 1.00 0.00 C ATOM 975 CD GLU A 83 24.414 17.017 -10.569 1.00 0.00 C ATOM 976 OE1 GLU A 83 24.122 18.178 -10.948 1.00 0.00 O ATOM 977 OE2 GLU A 83 25.340 16.811 -9.746 1.00 0.00 O ATOM 0 H GLU A 83 21.575 15.090 -13.502 1.00 0.00 H new ATOM 0 HA GLU A 83 24.241 14.111 -14.043 1.00 0.00 H new ATOM 0 HB2 GLU A 83 24.951 15.818 -12.813 1.00 0.00 H new ATOM 0 HB3 GLU A 83 23.345 16.427 -13.161 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.564 15.958 -10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 83 23.921 14.907 -10.604 1.00 0.00 H new ATOM 984 N LEU A 84 22.563 12.627 -11.683 1.00 0.00 N ATOM 985 CA LEU A 84 22.508 11.427 -10.853 1.00 0.00 C ATOM 986 C LEU A 84 22.613 10.130 -11.685 1.00 0.00 C ATOM 987 O LEU A 84 23.461 9.286 -11.387 1.00 0.00 O ATOM 988 CB LEU A 84 21.217 11.509 -10.009 1.00 0.00 C ATOM 989 CG LEU A 84 20.815 10.215 -9.287 1.00 0.00 C ATOM 990 CD1 LEU A 84 21.862 9.709 -8.294 1.00 0.00 C ATOM 991 CD2 LEU A 84 19.507 10.428 -8.522 1.00 0.00 C ATOM 0 H LEU A 84 21.665 13.107 -11.747 1.00 0.00 H new ATOM 0 HA LEU A 84 23.372 11.385 -10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 84 21.340 12.296 -9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.397 11.811 -10.660 1.00 0.00 H new ATOM 0 HG LEU A 84 20.709 9.464 -10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 84 21.505 8.792 -7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.795 9.508 -8.820 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.033 10.466 -7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.229 9.505 -8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.640 11.222 -7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 84 18.719 10.709 -9.220 1.00 0.00 H new ATOM 1003 N LEU A 85 21.769 9.952 -12.714 1.00 0.00 N ATOM 1004 CA LEU A 85 21.630 8.673 -13.432 1.00 0.00 C ATOM 1005 C LEU A 85 22.348 8.636 -14.797 1.00 0.00 C ATOM 1006 O LEU A 85 22.384 7.593 -15.447 1.00 0.00 O ATOM 1007 CB LEU A 85 20.114 8.389 -13.584 1.00 0.00 C ATOM 1008 CG LEU A 85 19.593 6.991 -13.185 1.00 0.00 C ATOM 1009 CD1 LEU A 85 20.277 5.842 -13.921 1.00 0.00 C ATOM 1010 CD2 LEU A 85 19.750 6.747 -11.686 1.00 0.00 C ATOM 0 H LEU A 85 21.163 10.690 -13.072 1.00 0.00 H new ATOM 0 HA LEU A 85 22.123 7.895 -12.849 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.575 9.128 -12.991 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.845 8.560 -14.626 1.00 0.00 H new ATOM 0 HG LEU A 85 18.541 7.000 -13.471 1.00 0.00 H new ATOM 0 HD11 LEU A 85 19.856 4.894 -13.586 1.00 0.00 H new ATOM 0 HD12 LEU A 85 20.118 5.951 -14.994 1.00 0.00 H new ATOM 0 HD13 LEU A 85 21.346 5.860 -13.709 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.374 5.755 -11.438 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.804 6.814 -11.415 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.185 7.498 -11.134 1.00 0.00 H new ATOM 1022 N GLY A 86 22.843 9.771 -15.296 1.00 0.00 N ATOM 1023 CA GLY A 86 23.344 9.939 -16.670 1.00 0.00 C ATOM 1024 C GLY A 86 22.209 10.120 -17.695 1.00 0.00 C ATOM 1025 O GLY A 86 22.357 10.872 -18.660 1.00 0.00 O ATOM 0 H GLY A 86 22.910 10.625 -14.743 1.00 0.00 H new ATOM 0 HA2 GLY A 86 24.005 10.805 -16.709 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.941 9.069 -16.944 1.00 0.00 H new ATOM 1029 N ARG A 87 21.055 9.473 -17.452 1.00 0.00 N ATOM 1030 CA ARG A 87 19.804 9.576 -18.228 1.00 0.00 C ATOM 1031 C ARG A 87 18.552 9.339 -17.364 1.00 0.00 C ATOM 1032 O ARG A 87 18.403 8.294 -16.736 1.00 0.00 O ATOM 1033 CB ARG A 87 19.879 8.634 -19.456 1.00 0.00 C ATOM 1034 CG ARG A 87 19.636 7.131 -19.219 1.00 0.00 C ATOM 1035 CD ARG A 87 20.444 6.500 -18.070 1.00 0.00 C ATOM 1036 NE ARG A 87 20.073 5.085 -17.878 1.00 0.00 N ATOM 1037 CZ ARG A 87 18.977 4.619 -17.301 1.00 0.00 C ATOM 1038 NH1 ARG A 87 18.076 5.403 -16.771 1.00 0.00 N ATOM 1039 NH2 ARG A 87 18.765 3.336 -17.248 1.00 0.00 N ATOM 0 H ARG A 87 20.964 8.829 -16.666 1.00 0.00 H new ATOM 0 HA ARG A 87 19.702 10.599 -18.590 1.00 0.00 H new ATOM 0 HB2 ARG A 87 19.151 8.980 -20.190 1.00 0.00 H new ATOM 0 HB3 ARG A 87 20.865 8.748 -19.907 1.00 0.00 H new ATOM 0 HG2 ARG A 87 18.575 6.980 -19.019 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.867 6.594 -20.139 1.00 0.00 H new ATOM 0 HD2 ARG A 87 21.510 6.574 -18.287 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.267 7.055 -17.149 1.00 0.00 H new ATOM 0 HE ARG A 87 20.733 4.390 -18.228 1.00 0.00 H new ATOM 0 HH11 ARG A 87 18.204 6.415 -16.793 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.245 5.003 -16.336 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.444 2.690 -17.651 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.920 2.977 -16.803 1.00 0.00 H new ATOM 1053 N GLN A 88 17.638 10.298 -17.339 1.00 0.00 N ATOM 1054 CA GLN A 88 16.355 10.243 -16.612 1.00 0.00 C ATOM 1055 C GLN A 88 15.202 10.793 -17.475 1.00 0.00 C ATOM 1056 O GLN A 88 14.265 11.416 -16.977 1.00 0.00 O ATOM 1057 CB GLN A 88 16.511 10.935 -15.241 1.00 0.00 C ATOM 1058 CG GLN A 88 16.943 9.960 -14.128 1.00 0.00 C ATOM 1059 CD GLN A 88 15.815 9.115 -13.536 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.706 9.045 -14.038 1.00 0.00 O ATOM 1061 NE2 GLN A 88 16.057 8.437 -12.431 1.00 0.00 N ATOM 0 H GLN A 88 17.765 11.176 -17.842 1.00 0.00 H new ATOM 0 HA GLN A 88 16.081 9.207 -16.410 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.247 11.734 -15.324 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.565 11.400 -14.964 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.706 9.292 -14.527 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.408 10.532 -13.325 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.978 8.483 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.323 7.867 -12.011 1.00 0.00 H new ATOM 1070 N SER A 89 15.282 10.574 -18.791 1.00 0.00 N ATOM 1071 CA SER A 89 14.160 10.841 -19.709 1.00 0.00 C ATOM 1072 C SER A 89 13.355 9.556 -19.909 1.00 0.00 C ATOM 1073 O SER A 89 13.924 8.484 -20.134 1.00 0.00 O ATOM 1074 CB SER A 89 14.609 11.413 -21.048 1.00 0.00 C ATOM 1075 OG SER A 89 15.506 12.499 -20.842 1.00 0.00 O ATOM 0 H SER A 89 16.116 10.210 -19.251 1.00 0.00 H new ATOM 0 HA SER A 89 13.533 11.606 -19.251 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.096 10.637 -21.639 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.742 11.750 -21.617 1.00 0.00 H new ATOM 0 HG SER A 89 15.790 12.858 -21.709 1.00 0.00 H new ATOM 1081 N PHE A 90 12.035 9.658 -19.795 1.00 0.00 N ATOM 1082 CA PHE A 90 11.116 8.510 -19.732 1.00 0.00 C ATOM 1083 C PHE A 90 9.669 8.889 -20.031 1.00 0.00 C ATOM 1084 O PHE A 90 9.324 10.069 -20.138 1.00 0.00 O ATOM 1085 CB PHE A 90 11.206 7.854 -18.336 1.00 0.00 C ATOM 1086 CG PHE A 90 10.697 8.701 -17.179 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.340 8.658 -16.798 1.00 0.00 C ATOM 1088 CD2 PHE A 90 11.595 9.494 -16.444 1.00 0.00 C ATOM 1089 CE1 PHE A 90 8.887 9.412 -15.700 1.00 0.00 C ATOM 1090 CE2 PHE A 90 11.150 10.227 -15.329 1.00 0.00 C ATOM 1091 CZ PHE A 90 9.795 10.187 -14.956 1.00 0.00 C ATOM 0 H PHE A 90 11.557 10.557 -19.742 1.00 0.00 H new ATOM 0 HA PHE A 90 11.426 7.807 -20.506 1.00 0.00 H new ATOM 0 HB2 PHE A 90 10.643 6.921 -18.355 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.247 7.594 -18.143 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.645 8.044 -17.352 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.633 9.541 -16.737 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.842 9.396 -15.428 1.00 0.00 H new ATOM 0 HE2 PHE A 90 11.849 10.821 -14.759 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.452 10.750 -14.100 1.00 0.00 H new ATOM 1101 N SER A 91 8.824 7.861 -20.144 1.00 0.00 N ATOM 1102 CA SER A 91 7.387 7.994 -20.341 1.00 0.00 C ATOM 1103 C SER A 91 6.561 7.440 -19.190 1.00 0.00 C ATOM 1104 O SER A 91 6.837 6.377 -18.629 1.00 0.00 O ATOM 1105 CB SER A 91 6.986 7.362 -21.668 1.00 0.00 C ATOM 1106 OG SER A 91 7.105 5.948 -21.641 1.00 0.00 O ATOM 0 H SER A 91 9.133 6.890 -20.099 1.00 0.00 H new ATOM 0 HA SER A 91 7.166 9.061 -20.367 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.957 7.635 -21.903 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.612 7.763 -22.465 1.00 0.00 H new ATOM 0 HG SER A 91 6.837 5.581 -22.509 1.00 0.00 H new ATOM 1112 N VAL A 92 5.539 8.208 -18.812 1.00 0.00 N ATOM 1113 CA VAL A 92 4.695 7.908 -17.653 1.00 0.00 C ATOM 1114 C VAL A 92 3.645 6.814 -17.901 1.00 0.00 C ATOM 1115 O VAL A 92 3.137 6.205 -16.959 1.00 0.00 O ATOM 1116 CB VAL A 92 4.107 9.179 -17.000 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.212 9.006 -15.489 1.00 0.00 C ATOM 1118 CG2 VAL A 92 4.845 10.490 -17.324 1.00 0.00 C ATOM 0 H VAL A 92 5.271 9.061 -19.303 1.00 0.00 H new ATOM 0 HA VAL A 92 5.371 7.471 -16.918 1.00 0.00 H new ATOM 0 HB VAL A 92 3.094 9.271 -17.391 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.805 9.887 -14.993 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.648 8.125 -15.184 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.258 8.882 -15.209 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.352 11.320 -16.817 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.878 10.419 -16.984 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.828 10.661 -18.400 1.00 0.00 H new ATOM 1128 N LYS A 93 3.358 6.521 -19.177 1.00 0.00 N ATOM 1129 CA LYS A 93 2.456 5.444 -19.631 1.00 0.00 C ATOM 1130 C LYS A 93 3.024 4.021 -19.472 1.00 0.00 C ATOM 1131 O LYS A 93 2.303 3.045 -19.679 1.00 0.00 O ATOM 1132 CB LYS A 93 2.032 5.722 -21.085 1.00 0.00 C ATOM 1133 CG LYS A 93 3.199 5.646 -22.086 1.00 0.00 C ATOM 1134 CD LYS A 93 2.722 5.890 -23.523 1.00 0.00 C ATOM 1135 CE LYS A 93 3.911 5.765 -24.485 1.00 0.00 C ATOM 1136 NZ LYS A 93 3.485 5.915 -25.904 1.00 0.00 N ATOM 0 H LYS A 93 3.761 7.045 -19.954 1.00 0.00 H new ATOM 0 HA LYS A 93 1.587 5.461 -18.973 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.266 5.004 -21.376 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.579 6.712 -21.141 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.955 6.385 -21.822 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.673 4.667 -22.020 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.949 5.169 -23.788 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.276 6.881 -23.606 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.655 6.525 -24.246 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.390 4.795 -24.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.313 5.825 -26.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.793 5.175 -26.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.050 6.850 -26.039 1.00 0.00 H new ATOM 1150 N ASP A 94 4.304 3.904 -19.117 1.00 0.00 N ATOM 1151 CA ASP A 94 5.054 2.654 -18.968 1.00 0.00 C ATOM 1152 C ASP A 94 5.591 2.523 -17.520 1.00 0.00 C ATOM 1153 O ASP A 94 6.722 2.925 -17.231 1.00 0.00 O ATOM 1154 CB ASP A 94 6.137 2.595 -20.061 1.00 0.00 C ATOM 1155 CG ASP A 94 6.741 1.188 -20.243 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.291 0.219 -19.583 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.648 1.037 -21.097 1.00 0.00 O ATOM 0 H ASP A 94 4.878 4.723 -18.914 1.00 0.00 H new ATOM 0 HA ASP A 94 4.413 1.784 -19.114 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.707 2.924 -21.007 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.934 3.296 -19.812 1.00 0.00 H new ATOM 1162 N PRO A 95 4.769 2.033 -16.567 1.00 0.00 N ATOM 1163 CA PRO A 95 5.076 2.055 -15.132 1.00 0.00 C ATOM 1164 C PRO A 95 6.235 1.141 -14.695 1.00 0.00 C ATOM 1165 O PRO A 95 6.877 1.434 -13.685 1.00 0.00 O ATOM 1166 CB PRO A 95 3.766 1.676 -14.428 1.00 0.00 C ATOM 1167 CG PRO A 95 2.999 0.882 -15.484 1.00 0.00 C ATOM 1168 CD PRO A 95 3.393 1.606 -16.767 1.00 0.00 C ATOM 0 HA PRO A 95 5.435 3.047 -14.859 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.950 1.079 -13.535 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.212 2.560 -14.112 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.293 -0.167 -15.500 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.923 0.909 -15.314 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.309 0.947 -17.631 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.741 2.459 -16.952 1.00 0.00 H new ATOM 1176 N SER A 96 6.546 0.065 -15.427 1.00 0.00 N ATOM 1177 CA SER A 96 7.620 -0.879 -15.059 1.00 0.00 C ATOM 1178 C SER A 96 9.026 -0.250 -15.048 1.00 0.00 C ATOM 1179 O SER A 96 9.681 -0.302 -14.001 1.00 0.00 O ATOM 1180 CB SER A 96 7.603 -2.130 -15.946 1.00 0.00 C ATOM 1181 OG SER A 96 6.370 -2.824 -15.798 1.00 0.00 O ATOM 0 H SER A 96 6.063 -0.180 -16.292 1.00 0.00 H new ATOM 0 HA SER A 96 7.402 -1.170 -14.031 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.746 -1.847 -16.989 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.431 -2.786 -15.678 1.00 0.00 H new ATOM 0 HG SER A 96 6.371 -3.619 -16.371 1.00 0.00 H new ATOM 1187 N PRO A 97 9.515 0.392 -16.135 1.00 0.00 N ATOM 1188 CA PRO A 97 10.807 1.080 -16.109 1.00 0.00 C ATOM 1189 C PRO A 97 10.813 2.288 -15.157 1.00 0.00 C ATOM 1190 O PRO A 97 11.840 2.572 -14.543 1.00 0.00 O ATOM 1191 CB PRO A 97 11.092 1.495 -17.557 1.00 0.00 C ATOM 1192 CG PRO A 97 9.702 1.591 -18.183 1.00 0.00 C ATOM 1193 CD PRO A 97 8.953 0.465 -17.477 1.00 0.00 C ATOM 0 HA PRO A 97 11.585 0.421 -15.723 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.620 2.447 -17.605 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.713 0.760 -18.070 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.241 2.562 -18.004 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.731 1.446 -19.263 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.883 0.670 -17.442 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.080 -0.480 -18.005 1.00 0.00 H new ATOM 1201 N LEU A 98 9.670 2.959 -14.963 1.00 0.00 N ATOM 1202 CA LEU A 98 9.517 4.050 -14.006 1.00 0.00 C ATOM 1203 C LEU A 98 9.754 3.560 -12.562 1.00 0.00 C ATOM 1204 O LEU A 98 10.559 4.138 -11.827 1.00 0.00 O ATOM 1205 CB LEU A 98 8.131 4.678 -14.264 1.00 0.00 C ATOM 1206 CG LEU A 98 7.628 5.622 -13.169 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.590 6.781 -12.954 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.250 6.176 -13.525 1.00 0.00 C ATOM 0 H LEU A 98 8.814 2.751 -15.478 1.00 0.00 H new ATOM 0 HA LEU A 98 10.271 4.826 -14.139 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.168 5.227 -15.205 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.404 3.875 -14.391 1.00 0.00 H new ATOM 0 HG LEU A 98 7.561 5.043 -12.248 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.205 7.433 -12.170 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.565 6.394 -12.657 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.691 7.347 -13.880 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.911 6.845 -12.734 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.311 6.726 -14.464 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.543 5.353 -13.632 1.00 0.00 H new ATOM 1220 N TYR A 99 9.132 2.445 -12.174 1.00 0.00 N ATOM 1221 CA TYR A 99 9.379 1.812 -10.878 1.00 0.00 C ATOM 1222 C TYR A 99 10.850 1.393 -10.707 1.00 0.00 C ATOM 1223 O TYR A 99 11.411 1.588 -9.633 1.00 0.00 O ATOM 1224 CB TYR A 99 8.433 0.618 -10.703 1.00 0.00 C ATOM 1225 CG TYR A 99 8.576 -0.083 -9.363 1.00 0.00 C ATOM 1226 CD1 TYR A 99 8.239 0.597 -8.175 1.00 0.00 C ATOM 1227 CD2 TYR A 99 9.062 -1.404 -9.302 1.00 0.00 C ATOM 1228 CE1 TYR A 99 8.396 -0.038 -6.926 1.00 0.00 C ATOM 1229 CE2 TYR A 99 9.208 -2.045 -8.057 1.00 0.00 C ATOM 1230 CZ TYR A 99 8.883 -1.363 -6.864 1.00 0.00 C ATOM 1231 OH TYR A 99 9.038 -1.987 -5.662 1.00 0.00 O ATOM 0 H TYR A 99 8.445 1.957 -12.748 1.00 0.00 H new ATOM 0 HA TYR A 99 9.178 2.544 -10.096 1.00 0.00 H new ATOM 0 HB2 TYR A 99 7.405 0.961 -10.816 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.618 -0.101 -11.501 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.860 1.607 -8.222 1.00 0.00 H new ATOM 0 HD2 TYR A 99 9.323 -1.925 -10.211 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.144 0.488 -6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 99 9.570 -3.062 -8.014 1.00 0.00 H new ATOM 0 HH TYR A 99 9.382 -2.893 -5.806 1.00 0.00 H new ATOM 1241 N ASP A 100 11.505 0.902 -11.765 1.00 0.00 N ATOM 1242 CA ASP A 100 12.929 0.528 -11.752 1.00 0.00 C ATOM 1243 C ASP A 100 13.863 1.729 -11.511 1.00 0.00 C ATOM 1244 O ASP A 100 14.731 1.681 -10.640 1.00 0.00 O ATOM 1245 CB ASP A 100 13.279 -0.161 -13.075 1.00 0.00 C ATOM 1246 CG ASP A 100 14.690 -0.767 -13.051 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.926 -1.736 -12.292 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.571 -0.284 -13.802 1.00 0.00 O ATOM 0 H ASP A 100 11.057 0.750 -12.669 1.00 0.00 H new ATOM 0 HA ASP A 100 13.084 -0.154 -10.916 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.551 -0.946 -13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.208 0.560 -13.889 1.00 0.00 H new ATOM 1253 N MET A 101 13.643 2.835 -12.227 1.00 0.00 N ATOM 1254 CA MET A 101 14.334 4.120 -12.007 1.00 0.00 C ATOM 1255 C MET A 101 14.156 4.634 -10.569 1.00 0.00 C ATOM 1256 O MET A 101 15.122 5.077 -9.951 1.00 0.00 O ATOM 1257 CB MET A 101 13.729 5.191 -12.914 1.00 0.00 C ATOM 1258 CG MET A 101 13.936 5.055 -14.422 1.00 0.00 C ATOM 1259 SD MET A 101 12.577 5.735 -15.433 1.00 0.00 S ATOM 1260 CE MET A 101 11.856 7.042 -14.383 1.00 0.00 C ATOM 0 H MET A 101 12.968 2.869 -12.991 1.00 0.00 H new ATOM 0 HA MET A 101 15.389 3.943 -12.215 1.00 0.00 H new ATOM 0 HB2 MET A 101 12.656 5.221 -12.726 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.133 6.156 -12.607 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.863 5.558 -14.696 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.061 4.000 -14.666 1.00 0.00 H new ATOM 0 HE1 MET A 101 10.873 7.316 -14.767 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.757 6.675 -13.361 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.506 7.917 -14.393 1.00 0.00 H new ATOM 1270 N LEU A 102 12.934 4.572 -10.028 1.00 0.00 N ATOM 1271 CA LEU A 102 12.619 4.951 -8.644 1.00 0.00 C ATOM 1272 C LEU A 102 13.370 4.047 -7.652 1.00 0.00 C ATOM 1273 O LEU A 102 14.095 4.549 -6.791 1.00 0.00 O ATOM 1274 CB LEU A 102 11.084 4.945 -8.456 1.00 0.00 C ATOM 1275 CG LEU A 102 10.337 6.269 -8.767 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.847 7.049 -9.981 1.00 0.00 C ATOM 1277 CD2 LEU A 102 8.853 5.959 -8.948 1.00 0.00 C ATOM 0 H LEU A 102 12.119 4.250 -10.550 1.00 0.00 H new ATOM 0 HA LEU A 102 12.964 5.963 -8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.667 4.162 -9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.869 4.668 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 102 10.525 6.923 -7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.255 7.955 -10.106 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.892 7.317 -9.828 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.758 6.431 -10.874 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.313 6.880 -9.167 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.726 5.258 -9.773 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.459 5.517 -8.033 1.00 0.00 H new ATOM 1289 N ARG A 103 13.344 2.723 -7.857 1.00 0.00 N ATOM 1290 CA ARG A 103 14.162 1.741 -7.115 1.00 0.00 C ATOM 1291 C ARG A 103 15.673 1.997 -7.192 1.00 0.00 C ATOM 1292 O ARG A 103 16.411 1.508 -6.340 1.00 0.00 O ATOM 1293 CB ARG A 103 13.855 0.322 -7.638 1.00 0.00 C ATOM 1294 CG ARG A 103 13.092 -0.523 -6.614 1.00 0.00 C ATOM 1295 CD ARG A 103 12.805 -1.905 -7.207 1.00 0.00 C ATOM 1296 NE ARG A 103 12.182 -2.795 -6.208 1.00 0.00 N ATOM 1297 CZ ARG A 103 11.823 -4.056 -6.373 1.00 0.00 C ATOM 1298 NH1 ARG A 103 11.998 -4.687 -7.500 1.00 0.00 N ATOM 1299 NH2 ARG A 103 11.275 -4.715 -5.394 1.00 0.00 N ATOM 0 H ARG A 103 12.742 2.291 -8.558 1.00 0.00 H new ATOM 0 HA ARG A 103 13.888 1.845 -6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.270 0.394 -8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.789 -0.178 -7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.677 -0.622 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.158 -0.030 -6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.146 -1.804 -8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.733 -2.350 -7.566 1.00 0.00 H new ATOM 0 HE ARG A 103 12.009 -2.392 -5.287 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.425 -4.207 -8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.708 -5.661 -7.590 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.121 -4.258 -4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.999 -5.688 -5.526 1.00 0.00 H new ATOM 1313 N LYS A 104 16.129 2.733 -8.208 1.00 0.00 N ATOM 1314 CA LYS A 104 17.520 3.174 -8.413 1.00 0.00 C ATOM 1315 C LYS A 104 17.819 4.615 -7.962 1.00 0.00 C ATOM 1316 O LYS A 104 18.988 5.000 -7.991 1.00 0.00 O ATOM 1317 CB LYS A 104 17.925 2.910 -9.876 1.00 0.00 C ATOM 1318 CG LYS A 104 18.070 1.403 -10.147 1.00 0.00 C ATOM 1319 CD LYS A 104 18.206 1.106 -11.645 1.00 0.00 C ATOM 1320 CE LYS A 104 18.376 -0.405 -11.855 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.258 -0.775 -13.290 1.00 0.00 N ATOM 0 H LYS A 104 15.510 3.057 -8.951 1.00 0.00 H new ATOM 0 HA LYS A 104 18.145 2.577 -7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.176 3.333 -10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.867 3.414 -10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.944 1.021 -9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.202 0.877 -9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.324 1.461 -12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.063 1.640 -12.056 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.349 -0.718 -11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.622 -0.940 -11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.428 -1.795 -13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.303 -0.545 -13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.960 -0.245 -13.844 1.00 0.00 H new ATOM 1335 N ASN A 105 16.827 5.409 -7.523 1.00 0.00 N ATOM 1336 CA ASN A 105 17.066 6.764 -6.984 1.00 0.00 C ATOM 1337 C ASN A 105 16.692 6.936 -5.489 1.00 0.00 C ATOM 1338 O ASN A 105 17.316 7.713 -4.769 1.00 0.00 O ATOM 1339 CB ASN A 105 16.470 7.799 -7.968 1.00 0.00 C ATOM 1340 CG ASN A 105 14.965 8.034 -7.933 1.00 0.00 C ATOM 1341 OD1 ASN A 105 14.231 7.564 -7.084 1.00 0.00 O ATOM 1342 ND2 ASN A 105 14.459 8.827 -8.850 1.00 0.00 N ATOM 0 H ASN A 105 15.844 5.135 -7.530 1.00 0.00 H new ATOM 0 HA ASN A 105 18.139 6.951 -6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.962 8.755 -7.786 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.737 7.491 -8.979 1.00 0.00 H new ATOM 0 HD21 ASN A 105 13.462 9.042 -8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 105 15.063 9.228 -9.567 1.00 0.00 H new ATOM 1349 N LEU A 106 15.739 6.157 -4.988 1.00 0.00 N ATOM 1350 CA LEU A 106 15.301 6.102 -3.590 1.00 0.00 C ATOM 1351 C LEU A 106 16.081 5.037 -2.782 1.00 0.00 C ATOM 1352 O LEU A 106 15.775 3.849 -2.829 1.00 0.00 O ATOM 1353 CB LEU A 106 13.771 5.890 -3.588 1.00 0.00 C ATOM 1354 CG LEU A 106 13.092 5.950 -2.206 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.304 7.298 -1.509 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.587 5.740 -2.367 1.00 0.00 C ATOM 0 H LEU A 106 15.219 5.508 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 106 15.524 7.038 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.317 6.645 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.556 4.920 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 106 13.544 5.167 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.806 7.289 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.371 7.470 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.886 8.095 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.107 5.782 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.177 6.521 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.402 4.766 -2.820 1.00 0.00 H new ATOM 1368 N VAL A 107 17.090 5.498 -2.029 1.00 0.00 N ATOM 1369 CA VAL A 107 17.901 4.804 -0.989 1.00 0.00 C ATOM 1370 C VAL A 107 18.696 3.538 -1.348 1.00 0.00 C ATOM 1371 O VAL A 107 19.384 2.959 -0.508 1.00 0.00 O ATOM 1372 CB VAL A 107 17.110 4.689 0.342 1.00 0.00 C ATOM 1373 CG1 VAL A 107 16.298 3.394 0.479 1.00 0.00 C ATOM 1374 CG2 VAL A 107 18.004 4.846 1.580 1.00 0.00 C ATOM 0 H VAL A 107 17.399 6.464 -2.136 1.00 0.00 H new ATOM 0 HA VAL A 107 18.745 5.483 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 107 16.408 5.522 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 107 15.775 3.392 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 107 15.572 3.332 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 107 16.969 2.537 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 107 17.397 4.757 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 107 18.768 4.068 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 107 18.483 5.825 1.561 1.00 0.00 H new ATOM 1384 N THR A 108 18.658 3.127 -2.606 1.00 0.00 N ATOM 1385 CA THR A 108 19.320 1.901 -3.106 1.00 0.00 C ATOM 1386 C THR A 108 19.413 1.854 -4.637 1.00 0.00 C ATOM 1387 O THR A 108 18.968 2.777 -5.321 1.00 0.00 O ATOM 1388 CB THR A 108 18.585 0.651 -2.573 1.00 0.00 C ATOM 1389 OG1 THR A 108 19.435 -0.480 -2.624 1.00 0.00 O ATOM 1390 CG2 THR A 108 17.307 0.317 -3.342 1.00 0.00 C ATOM 0 H THR A 108 18.159 3.637 -3.335 1.00 0.00 H new ATOM 0 HA THR A 108 20.344 1.915 -2.732 1.00 0.00 H new ATOM 0 HB THR A 108 18.307 0.893 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 108 18.957 -1.264 -2.282 1.00 0.00 H new ATOM 0 HG21 THR A 108 16.845 -0.572 -2.912 1.00 0.00 H new ATOM 0 HG22 THR A 108 16.613 1.155 -3.276 1.00 0.00 H new ATOM 0 HG23 THR A 108 17.550 0.129 -4.388 1.00 0.00 H new ATOM 1398 N LEU A 109 19.998 0.770 -5.162 1.00 0.00 N ATOM 1399 CA LEU A 109 20.104 0.422 -6.576 1.00 0.00 C ATOM 1400 C LEU A 109 19.387 -0.908 -6.879 1.00 0.00 C ATOM 1401 O LEU A 109 20.011 -1.937 -7.156 1.00 0.00 O ATOM 1402 CB LEU A 109 21.574 0.350 -6.984 1.00 0.00 C ATOM 1403 CG LEU A 109 22.440 1.609 -6.821 1.00 0.00 C ATOM 1404 CD1 LEU A 109 21.802 2.845 -7.453 1.00 0.00 C ATOM 1405 CD2 LEU A 109 22.881 1.935 -5.391 1.00 0.00 C ATOM 0 H LEU A 109 20.438 0.069 -4.566 1.00 0.00 H new ATOM 0 HA LEU A 109 19.612 1.200 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 109 22.040 -0.450 -6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 109 21.614 0.053 -8.032 1.00 0.00 H new ATOM 0 HG LEU A 109 23.348 1.344 -7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 109 22.455 3.706 -7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 109 21.657 2.674 -8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 109 20.838 3.038 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 109 23.486 2.842 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 109 22.002 2.088 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 109 23.470 1.108 -4.994 1.00 0.00 H new ATOM 1417 N ALA A 110 18.059 -0.853 -6.833 1.00 0.00 N ATOM 1418 CA ALA A 110 17.134 -1.974 -7.042 1.00 0.00 C ATOM 1419 C ALA A 110 17.356 -3.195 -6.106 1.00 0.00 C ATOM 1420 O ALA A 110 18.140 -3.152 -5.153 1.00 0.00 O ATOM 1421 CB ALA A 110 17.144 -2.307 -8.545 1.00 0.00 C ATOM 0 H ALA A 110 17.568 0.020 -6.639 1.00 0.00 H new ATOM 0 HA ALA A 110 16.131 -1.667 -6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 110 16.466 -3.138 -8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 110 16.820 -1.435 -9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 110 18.153 -2.584 -8.850 1.00 0.00 H new ATOM 1427 N THR A 111 16.607 -4.282 -6.341 1.00 0.00 N ATOM 1428 CA THR A 111 16.680 -5.530 -5.549 1.00 0.00 C ATOM 1429 C THR A 111 17.875 -6.417 -5.923 1.00 0.00 C ATOM 1430 O THR A 111 18.378 -6.389 -7.058 1.00 0.00 O ATOM 1431 CB THR A 111 15.360 -6.318 -5.603 1.00 0.00 C ATOM 1432 OG1 THR A 111 15.452 -7.432 -4.738 1.00 0.00 O ATOM 1433 CG2 THR A 111 14.983 -6.833 -6.997 1.00 0.00 C ATOM 0 H THR A 111 15.922 -4.325 -7.096 1.00 0.00 H new ATOM 0 HA THR A 111 16.843 -5.217 -4.518 1.00 0.00 H new ATOM 0 HB THR A 111 14.583 -5.616 -5.302 1.00 0.00 H new ATOM 0 HG1 THR A 111 14.613 -7.938 -4.766 1.00 0.00 H new ATOM 0 HG21 THR A 111 14.040 -7.376 -6.941 1.00 0.00 H new ATOM 0 HG22 THR A 111 14.876 -5.990 -7.680 1.00 0.00 H new ATOM 0 HG23 THR A 111 15.764 -7.499 -7.362 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 44Z A 200 2.647 10.970 -12.907 1.00 0.00 N HETATM 1443 C1 44Z A 200 -0.209 16.903 -14.003 1.00 0.00 C HETATM 1444 O1 44Z A 200 -0.448 18.000 -14.472 1.00 0.00 O HETATM 1445 N1 44Z A 200 -1.245 16.138 -13.627 1.00 0.00 N HETATM 1446 C2 44Z A 200 -1.108 14.775 -13.101 1.00 0.00 C HETATM 1447 C3 44Z A 200 0.180 14.094 -13.595 1.00 0.00 C HETATM 1448 N2 44Z A 200 1.379 14.938 -13.384 1.00 0.00 N HETATM 1449 C4 44Z A 200 1.209 16.360 -13.814 1.00 0.00 C HETATM 1450 C5 44Z A 200 2.509 14.544 -12.732 1.00 0.00 C HETATM 1451 O5 44Z A 200 3.180 15.374 -12.144 1.00 0.00 O HETATM 1452 N3 44Z A 200 2.842 13.232 -12.690 1.00 0.00 N HETATM 1453 C6 44Z A 200 2.558 12.104 -13.499 1.00 0.00 C HETATM 1454 C7 44Z A 200 3.226 11.139 -11.541 1.00 0.00 C HETATM 1455 C8 44Z A 200 3.483 12.693 -11.494 1.00 0.00 C HETATM 1456 CG1 44Z A 200 4.956 13.061 -11.369 1.00 0.00 C HETATM 1457 CD1 44Z A 200 5.841 12.982 -12.447 1.00 0.00 C HETATM 1458 CE1 44Z A 200 7.213 12.892 -12.213 1.00 0.00 C HETATM 1459 CZ1 44Z A 200 7.690 12.885 -10.904 1.00 0.00 C HETATM 1460 CL 44Z A 200 9.358 12.544 -10.606 1.00 0.00 CL HETATM 1461 CE2 44Z A 200 6.805 13.095 -9.847 1.00 0.00 C HETATM 1462 CD2 44Z A 200 5.457 13.266 -10.092 1.00 0.00 C HETATM 1463 CG2 44Z A 200 4.458 10.243 -11.246 1.00 0.00 C HETATM 1464 CD3 44Z A 200 5.464 10.098 -12.210 1.00 0.00 C HETATM 1465 CE3 44Z A 200 6.698 9.537 -11.885 1.00 0.00 C HETATM 1466 CZ2 44Z A 200 6.909 9.018 -10.611 1.00 0.00 C HETATM 1467 CE4 44Z A 200 5.870 8.998 -9.704 1.00 0.00 C HETATM 1468 O4 44Z A 200 6.039 8.344 -8.510 1.00 0.00 O HETATM 1469 CD4 44Z A 200 4.662 9.605 -10.006 1.00 0.00 C HETATM 1470 CG3 44Z A 200 2.201 12.227 -14.943 1.00 0.00 C HETATM 1471 CD5 44Z A 200 1.324 11.289 -15.499 1.00 0.00 C HETATM 1472 CE5 44Z A 200 0.882 11.420 -16.814 1.00 0.00 C HETATM 1473 CZ3 44Z A 200 1.315 12.492 -17.595 1.00 0.00 C HETATM 1474 CE6 44Z A 200 2.225 13.398 -17.067 1.00 0.00 C HETATM 1475 CD6 44Z A 200 2.705 13.247 -15.765 1.00 0.00 C HETATM 1476 O6 44Z A 200 3.757 14.026 -15.320 1.00 0.00 O HETATM 1477 C9 44Z A 200 4.684 14.713 -16.198 1.00 0.00 C HETATM 1478 CM2 44Z A 200 4.302 16.204 -16.230 1.00 0.00 C HETATM 1479 CM3 44Z A 200 6.099 14.506 -15.640 1.00 0.00 C HETATM 1480 O3 44Z A 200 0.898 12.684 -18.898 1.00 0.00 O HETATM 1481 CM1 44Z A 200 -0.053 11.812 -19.554 1.00 0.00 C HETATM 1482 CM4 44Z A 200 5.422 7.044 -8.380 1.00 0.00 C