USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 445 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 49 CYS SG : rot 19:sc= -0.899 USER MOD Set 1.2: A 54 GLN : amide:sc= -0.806 K(o=-1.7,f=-5.2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc=-0.00172 X(o=-0.0017,f=0) USER MOD Single : A 10 MET CE :methyl 176:sc= -2.57 (180deg=-2.71) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0514 K(o=-0.051,f=-1.1) USER MOD Single : A 25 TYR OH : rot 165:sc= -0.479 USER MOD Single : A 29 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 30 LYS NZ :NH3+ -118:sc= -0.0522 (180deg=-1.69!) USER MOD Single : A 31 HIS : no HD1:sc= -0.626 X(o=-0.63,f=-0.26) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.0038) USER MOD Single : A 39 THR OG1 : rot 82:sc= 0.755 USER MOD Single : A 40 LYS NZ :NH3+ 148:sc= -0.0881 (180deg=-0.642) USER MOD Single : A 43 HIS : no HD1:sc= -0.709 K(o=-0.71,f=-0.055) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ALA A 5 -4.082 -11.422 1.257 1.00 0.00 N ATOM 48 CA ALA A 5 -2.997 -11.784 0.361 1.00 0.00 C ATOM 49 C ALA A 5 -3.150 -11.018 -0.955 1.00 0.00 C ATOM 50 O ALA A 5 -2.173 -10.803 -1.670 1.00 0.00 O ATOM 51 CB ALA A 5 -2.987 -13.300 0.155 1.00 0.00 C ATOM 0 HA ALA A 5 -2.035 -11.508 0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.173 -13.570 -0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.845 -13.797 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.936 -13.614 -0.280 1.00 0.00 H new ATOM 57 N GLU A 6 -4.385 -10.626 -1.234 1.00 0.00 N ATOM 58 CA GLU A 6 -4.680 -9.889 -2.451 1.00 0.00 C ATOM 59 C GLU A 6 -4.157 -8.454 -2.341 1.00 0.00 C ATOM 60 O GLU A 6 -3.533 -7.945 -3.271 1.00 0.00 O ATOM 61 CB GLU A 6 -6.179 -9.905 -2.753 1.00 0.00 C ATOM 62 CG GLU A 6 -6.557 -8.776 -3.713 1.00 0.00 C ATOM 63 CD GLU A 6 -7.606 -9.243 -4.724 1.00 0.00 C ATOM 64 OE1 GLU A 6 -7.463 -10.389 -5.203 1.00 0.00 O ATOM 65 OE2 GLU A 6 -8.529 -8.444 -4.996 1.00 0.00 O ATOM 0 H GLU A 6 -5.193 -10.805 -0.638 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.172 -10.378 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.456 -10.865 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.742 -9.802 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.944 -7.928 -3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.668 -8.429 -4.240 1.00 0.00 H new ATOM 70 N LEU A 7 -4.433 -7.844 -1.198 1.00 0.00 N ATOM 71 CA LEU A 7 -3.999 -6.478 -0.956 1.00 0.00 C ATOM 72 C LEU A 7 -2.473 -6.412 -1.027 1.00 0.00 C ATOM 73 O LEU A 7 -1.911 -5.419 -1.486 1.00 0.00 O ATOM 74 CB LEU A 7 -4.577 -5.959 0.362 1.00 0.00 C ATOM 75 CG LEU A 7 -6.089 -6.119 0.541 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.469 -6.104 2.023 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.850 -5.059 -0.256 1.00 0.00 C ATOM 0 H LEU A 7 -4.951 -8.270 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.383 -5.813 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.078 -6.474 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.330 -4.901 0.452 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.380 -7.091 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.548 -6.219 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.967 -6.925 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.162 -5.157 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.922 -5.195 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.560 -4.067 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.611 -5.159 -1.315 1.00 0.00 H new ATOM 88 N LYS A 8 -1.844 -7.483 -0.566 1.00 0.00 N ATOM 89 CA LYS A 8 -0.393 -7.560 -0.570 1.00 0.00 C ATOM 90 C LYS A 8 0.106 -7.604 -2.016 1.00 0.00 C ATOM 91 O LYS A 8 0.996 -6.844 -2.393 1.00 0.00 O ATOM 92 CB LYS A 8 0.085 -8.737 0.281 1.00 0.00 C ATOM 93 CG LYS A 8 1.146 -8.291 1.288 1.00 0.00 C ATOM 94 CD LYS A 8 1.008 -9.056 2.606 1.00 0.00 C ATOM 95 CE LYS A 8 -0.294 -8.688 3.320 1.00 0.00 C ATOM 96 NZ LYS A 8 -1.104 -9.899 3.578 1.00 0.00 N ATOM 0 H LYS A 8 -2.313 -8.305 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 8 0.037 -6.670 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.761 -9.175 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.495 -9.514 -0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.140 -8.455 0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.050 -7.221 1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.030 -10.128 2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.857 -8.831 3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.070 -8.186 4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.863 -7.985 2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.984 -9.631 4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.333 -10.362 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.565 -10.556 4.177 1.00 0.00 H new ATOM 106 N GLN A 9 -0.490 -8.502 -2.786 1.00 0.00 N ATOM 107 CA GLN A 9 -0.117 -8.656 -4.182 1.00 0.00 C ATOM 108 C GLN A 9 -0.331 -7.341 -4.936 1.00 0.00 C ATOM 109 O GLN A 9 0.523 -6.925 -5.719 1.00 0.00 O ATOM 110 CB GLN A 9 -0.899 -9.797 -4.837 1.00 0.00 C ATOM 111 CG GLN A 9 -0.033 -11.052 -4.967 1.00 0.00 C ATOM 112 CD GLN A 9 -0.078 -11.605 -6.393 1.00 0.00 C ATOM 113 OE1 GLN A 9 -1.090 -12.099 -6.862 1.00 0.00 O ATOM 114 NE2 GLN A 9 1.070 -11.493 -7.053 1.00 0.00 N ATOM 0 H GLN A 9 -1.229 -9.130 -2.470 1.00 0.00 H new ATOM 0 HA GLN A 9 0.941 -8.912 -4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.785 -10.022 -4.244 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.245 -9.486 -5.823 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.997 -10.817 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.381 -11.812 -4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.879 -11.069 -6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.142 -11.831 -8.013 1.00 0.00 H new ATOM 121 N MET A 10 -1.474 -6.726 -4.674 1.00 0.00 N ATOM 122 CA MET A 10 -1.811 -5.467 -5.319 1.00 0.00 C ATOM 123 C MET A 10 -0.878 -4.346 -4.854 1.00 0.00 C ATOM 124 O MET A 10 -0.366 -3.581 -5.669 1.00 0.00 O ATOM 125 CB MET A 10 -3.258 -5.097 -4.990 1.00 0.00 C ATOM 126 CG MET A 10 -4.232 -6.123 -5.571 1.00 0.00 C ATOM 127 SD MET A 10 -5.849 -5.909 -4.846 1.00 0.00 S ATOM 128 CE MET A 10 -6.033 -4.142 -5.016 1.00 0.00 C ATOM 0 H MET A 10 -2.179 -7.075 -4.024 1.00 0.00 H new ATOM 0 HA MET A 10 -1.694 -5.588 -6.396 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.386 -5.041 -3.909 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.484 -4.109 -5.390 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.292 -6.008 -6.653 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.868 -7.132 -5.377 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.025 -3.845 -4.675 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.277 -3.638 -4.415 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.910 -3.862 -6.062 1.00 0.00 H new ATOM 136 N VAL A 11 -0.685 -4.286 -3.544 1.00 0.00 N ATOM 137 CA VAL A 11 0.176 -3.272 -2.961 1.00 0.00 C ATOM 138 C VAL A 11 1.576 -3.388 -3.568 1.00 0.00 C ATOM 139 O VAL A 11 2.247 -2.381 -3.785 1.00 0.00 O ATOM 140 CB VAL A 11 0.173 -3.396 -1.436 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.494 -2.902 -0.842 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.015 -2.650 -0.827 1.00 0.00 C ATOM 0 H VAL A 11 -1.110 -4.923 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.197 -2.275 -3.193 1.00 0.00 H new ATOM 0 HB VAL A 11 0.068 -4.452 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.465 -3.001 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.316 -3.497 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.643 -1.855 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.993 -2.754 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.956 -1.594 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.944 -3.069 -1.213 1.00 0.00 H new ATOM 152 N MET A 12 1.974 -4.625 -3.823 1.00 0.00 N ATOM 153 CA MET A 12 3.282 -4.886 -4.401 1.00 0.00 C ATOM 154 C MET A 12 3.367 -4.348 -5.831 1.00 0.00 C ATOM 155 O MET A 12 4.438 -4.349 -6.435 1.00 0.00 O ATOM 156 CB MET A 12 3.548 -6.393 -4.405 1.00 0.00 C ATOM 157 CG MET A 12 4.441 -6.795 -3.229 1.00 0.00 C ATOM 158 SD MET A 12 6.144 -6.879 -3.757 1.00 0.00 S ATOM 159 CE MET A 12 6.200 -8.560 -4.354 1.00 0.00 C ATOM 0 H MET A 12 1.414 -5.458 -3.640 1.00 0.00 H new ATOM 0 HA MET A 12 4.033 -4.378 -3.797 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.603 -6.933 -4.350 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.024 -6.679 -5.343 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.338 -6.072 -2.420 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.125 -7.761 -2.836 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.201 -8.782 -4.724 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.954 -9.243 -3.541 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.479 -8.683 -5.162 1.00 0.00 H new ATOM 167 N SER A 13 2.223 -3.904 -6.332 1.00 0.00 N ATOM 168 CA SER A 13 2.155 -3.366 -7.679 1.00 0.00 C ATOM 169 C SER A 13 2.144 -1.837 -7.632 1.00 0.00 C ATOM 170 O SER A 13 2.610 -1.180 -8.562 1.00 0.00 O ATOM 171 CB SER A 13 0.918 -3.883 -8.417 1.00 0.00 C ATOM 172 OG SER A 13 1.067 -3.801 -9.832 1.00 0.00 O ATOM 0 H SER A 13 1.336 -3.906 -5.828 1.00 0.00 H new ATOM 0 HA SER A 13 3.037 -3.700 -8.225 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.732 -4.918 -8.132 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.045 -3.306 -8.110 1.00 0.00 H new ATOM 0 HG SER A 13 0.257 -4.142 -10.266 1.00 0.00 H new ATOM 177 N LEU A 14 1.607 -1.314 -6.539 1.00 0.00 N ATOM 178 CA LEU A 14 1.529 0.125 -6.358 1.00 0.00 C ATOM 179 C LEU A 14 2.924 0.731 -6.517 1.00 0.00 C ATOM 180 O LEU A 14 3.928 0.055 -6.291 1.00 0.00 O ATOM 181 CB LEU A 14 0.860 0.463 -5.024 1.00 0.00 C ATOM 182 CG LEU A 14 -0.643 0.186 -4.939 1.00 0.00 C ATOM 183 CD1 LEU A 14 -1.425 1.478 -4.699 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.135 -0.559 -6.182 1.00 0.00 C ATOM 0 H LEU A 14 1.222 -1.862 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 14 0.898 0.571 -7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.359 -0.102 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.027 1.519 -4.813 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.823 -0.464 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.490 1.253 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.100 1.932 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.243 2.171 -5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.206 -0.743 -6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.941 0.045 -7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.609 -1.510 -6.268 1.00 0.00 H new ATOM 195 N ARG A 15 2.945 1.999 -6.903 1.00 0.00 N ATOM 196 CA ARG A 15 4.201 2.703 -7.092 1.00 0.00 C ATOM 197 C ARG A 15 4.742 3.196 -5.749 1.00 0.00 C ATOM 198 O ARG A 15 4.025 3.199 -4.750 1.00 0.00 O ATOM 199 CB ARG A 15 4.026 3.897 -8.034 1.00 0.00 C ATOM 200 CG ARG A 15 3.684 3.432 -9.451 1.00 0.00 C ATOM 201 CD ARG A 15 4.414 4.278 -10.496 1.00 0.00 C ATOM 202 NE ARG A 15 5.640 3.580 -10.946 1.00 0.00 N ATOM 203 CZ ARG A 15 6.669 4.187 -11.554 1.00 0.00 C ATOM 204 NH1 ARG A 15 6.625 5.506 -11.789 1.00 0.00 N ATOM 205 NH2 ARG A 15 7.741 3.474 -11.927 1.00 0.00 N ATOM 0 H ARG A 15 2.111 2.556 -7.090 1.00 0.00 H new ATOM 0 HA ARG A 15 4.909 2.004 -7.537 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.235 4.547 -7.660 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.942 4.488 -8.052 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.959 2.384 -9.570 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.608 3.500 -9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.759 4.465 -11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.673 5.249 -10.074 1.00 0.00 H new ATOM 0 HE ARG A 15 5.706 2.575 -10.783 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.809 6.048 -11.505 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.408 5.968 -12.252 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.773 2.470 -11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.524 3.935 -12.390 1.00 0.00 H new ATOM 216 N VAL A 16 6.003 3.603 -5.769 1.00 0.00 N ATOM 217 CA VAL A 16 6.649 4.098 -4.565 1.00 0.00 C ATOM 218 C VAL A 16 5.817 5.241 -3.978 1.00 0.00 C ATOM 219 O VAL A 16 5.580 5.285 -2.771 1.00 0.00 O ATOM 220 CB VAL A 16 8.090 4.506 -4.873 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.640 5.439 -3.793 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.984 3.275 -5.040 1.00 0.00 C ATOM 0 H VAL A 16 6.595 3.600 -6.600 1.00 0.00 H new ATOM 0 HA VAL A 16 6.702 3.313 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 16 8.089 5.051 -5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.666 5.713 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.026 6.338 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.620 4.931 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.004 3.593 -5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.975 2.691 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.611 2.663 -5.861 1.00 0.00 H new ATOM 232 N SER A 17 5.396 6.136 -4.859 1.00 0.00 N ATOM 233 CA SER A 17 4.596 7.275 -4.444 1.00 0.00 C ATOM 234 C SER A 17 3.322 6.794 -3.748 1.00 0.00 C ATOM 235 O SER A 17 2.852 7.423 -2.801 1.00 0.00 O ATOM 236 CB SER A 17 4.245 8.167 -5.637 1.00 0.00 C ATOM 237 OG SER A 17 4.739 9.494 -5.476 1.00 0.00 O ATOM 0 H SER A 17 5.594 6.095 -5.859 1.00 0.00 H new ATOM 0 HA SER A 17 5.184 7.868 -3.743 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.659 7.734 -6.547 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.163 8.196 -5.762 1.00 0.00 H new ATOM 0 HG SER A 17 4.496 10.031 -6.259 1.00 0.00 H new ATOM 242 N GLU A 18 2.798 5.683 -4.244 1.00 0.00 N ATOM 243 CA GLU A 18 1.587 5.111 -3.682 1.00 0.00 C ATOM 244 C GLU A 18 1.860 4.564 -2.278 1.00 0.00 C ATOM 245 O GLU A 18 1.055 4.751 -1.368 1.00 0.00 O ATOM 246 CB GLU A 18 1.021 4.020 -4.594 1.00 0.00 C ATOM 247 CG GLU A 18 0.139 4.625 -5.688 1.00 0.00 C ATOM 248 CD GLU A 18 0.780 4.452 -7.067 1.00 0.00 C ATOM 249 OE1 GLU A 18 0.859 3.288 -7.514 1.00 0.00 O ATOM 250 OE2 GLU A 18 1.178 5.489 -7.641 1.00 0.00 O ATOM 0 H GLU A 18 3.190 5.164 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 18 0.838 5.899 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.838 3.460 -5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.440 3.312 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.841 4.147 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.020 5.684 -5.487 1.00 0.00 H new ATOM 255 N LEU A 19 2.999 3.899 -2.148 1.00 0.00 N ATOM 256 CA LEU A 19 3.388 3.325 -0.872 1.00 0.00 C ATOM 257 C LEU A 19 3.420 4.426 0.190 1.00 0.00 C ATOM 258 O LEU A 19 2.976 4.219 1.318 1.00 0.00 O ATOM 259 CB LEU A 19 4.708 2.564 -1.008 1.00 0.00 C ATOM 260 CG LEU A 19 4.611 1.149 -1.583 1.00 0.00 C ATOM 261 CD1 LEU A 19 3.647 0.289 -0.763 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.228 1.186 -3.064 1.00 0.00 C ATOM 0 H LEU A 19 3.664 3.745 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 19 2.653 2.589 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.377 3.147 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.173 2.504 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 19 5.594 0.684 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.596 -0.711 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.002 0.225 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.655 0.740 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.166 0.168 -3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.261 1.677 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.984 1.739 -3.622 1.00 0.00 H new ATOM 273 N GLN A 20 3.949 5.573 -0.209 1.00 0.00 N ATOM 274 CA GLN A 20 4.045 6.708 0.695 1.00 0.00 C ATOM 275 C GLN A 20 2.657 7.097 1.207 1.00 0.00 C ATOM 276 O GLN A 20 2.498 7.446 2.375 1.00 0.00 O ATOM 277 CB GLN A 20 4.730 7.895 0.014 1.00 0.00 C ATOM 278 CG GLN A 20 6.170 7.549 -0.372 1.00 0.00 C ATOM 279 CD GLN A 20 6.983 8.815 -0.649 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.466 9.919 -0.687 1.00 0.00 O ATOM 281 NE2 GLN A 20 8.280 8.595 -0.839 1.00 0.00 N ATOM 0 H GLN A 20 4.316 5.742 -1.146 1.00 0.00 H new ATOM 0 HA GLN A 20 4.658 6.417 1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.170 8.181 -0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.726 8.755 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.639 6.980 0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.170 6.912 -1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.648 7.645 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.907 9.376 -1.030 1.00 0.00 H new ATOM 288 N VAL A 21 1.686 7.022 0.307 1.00 0.00 N ATOM 289 CA VAL A 21 0.317 7.362 0.654 1.00 0.00 C ATOM 290 C VAL A 21 -0.202 6.369 1.695 1.00 0.00 C ATOM 291 O VAL A 21 -0.907 6.753 2.628 1.00 0.00 O ATOM 292 CB VAL A 21 -0.546 7.409 -0.609 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.513 6.224 -0.657 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.300 8.736 -0.708 1.00 0.00 C ATOM 0 H VAL A 21 1.821 6.731 -0.661 1.00 0.00 H new ATOM 0 HA VAL A 21 0.271 8.355 1.101 1.00 0.00 H new ATOM 0 HB VAL A 21 0.117 7.335 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.114 6.282 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.947 5.292 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.167 6.253 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.906 8.744 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.947 8.853 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.586 9.559 -0.742 1.00 0.00 H new ATOM 304 N LEU A 22 0.166 5.111 1.502 1.00 0.00 N ATOM 305 CA LEU A 22 -0.253 4.059 2.415 1.00 0.00 C ATOM 306 C LEU A 22 0.234 4.390 3.826 1.00 0.00 C ATOM 307 O LEU A 22 -0.526 4.289 4.788 1.00 0.00 O ATOM 308 CB LEU A 22 0.213 2.693 1.907 1.00 0.00 C ATOM 309 CG LEU A 22 -0.337 2.260 0.547 1.00 0.00 C ATOM 310 CD1 LEU A 22 -0.285 0.738 0.394 1.00 0.00 C ATOM 311 CD2 LEU A 22 -1.748 2.811 0.324 1.00 0.00 C ATOM 0 H LEU A 22 0.750 4.796 0.727 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.341 4.003 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.302 2.700 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.063 1.940 2.645 1.00 0.00 H new ATOM 0 HG LEU A 22 0.300 2.684 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.682 0.457 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.748 0.399 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.884 0.273 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.115 2.488 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.412 2.438 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.723 3.900 0.360 1.00 0.00 H new ATOM 322 N LEU A 23 1.498 4.779 3.906 1.00 0.00 N ATOM 323 CA LEU A 23 2.095 5.125 5.184 1.00 0.00 C ATOM 324 C LEU A 23 1.588 6.500 5.623 1.00 0.00 C ATOM 325 O LEU A 23 1.150 6.670 6.760 1.00 0.00 O ATOM 326 CB LEU A 23 3.621 5.029 5.106 1.00 0.00 C ATOM 327 CG LEU A 23 4.190 3.644 4.792 1.00 0.00 C ATOM 328 CD1 LEU A 23 3.214 2.542 5.210 1.00 0.00 C ATOM 329 CD2 LEU A 23 4.581 3.534 3.317 1.00 0.00 C ATOM 0 H LEU A 23 2.125 4.862 3.106 1.00 0.00 H new ATOM 0 HA LEU A 23 1.792 4.413 5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.971 5.725 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.035 5.363 6.057 1.00 0.00 H new ATOM 0 HG LEU A 23 5.099 3.507 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.643 1.568 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.028 2.608 6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.275 2.664 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.983 2.540 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.702 3.700 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.337 4.284 3.084 1.00 0.00 H new ATOM 340 N GLY A 24 1.663 7.447 4.699 1.00 0.00 N ATOM 341 CA GLY A 24 1.216 8.802 4.978 1.00 0.00 C ATOM 342 C GLY A 24 -0.238 8.813 5.452 1.00 0.00 C ATOM 343 O GLY A 24 -0.569 9.474 6.435 1.00 0.00 O ATOM 0 H GLY A 24 2.026 7.303 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.854 9.250 5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.314 9.413 4.081 1.00 0.00 H new ATOM 347 N TYR A 25 -1.067 8.072 4.731 1.00 0.00 N ATOM 348 CA TYR A 25 -2.480 7.988 5.067 1.00 0.00 C ATOM 349 C TYR A 25 -2.685 7.260 6.396 1.00 0.00 C ATOM 350 O TYR A 25 -3.778 7.285 6.959 1.00 0.00 O ATOM 351 CB TYR A 25 -3.131 7.175 3.947 1.00 0.00 C ATOM 352 CG TYR A 25 -4.647 7.026 4.088 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.402 8.073 4.577 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.260 5.843 3.726 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.828 7.932 4.710 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.688 5.703 3.859 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.401 6.754 4.343 1.00 0.00 C ATOM 358 OH TYR A 25 -8.749 6.621 4.469 1.00 0.00 O ATOM 0 H TYR A 25 -0.789 7.525 3.916 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.912 8.984 5.166 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.910 7.650 2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.679 6.183 3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.922 8.998 4.860 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.670 5.023 3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.430 8.743 5.093 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.181 4.783 3.580 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.050 5.840 3.959 1.00 0.00 H new ATOM 367 N ALA A 26 -1.616 6.628 6.860 1.00 0.00 N ATOM 368 CA ALA A 26 -1.666 5.894 8.113 1.00 0.00 C ATOM 369 C ALA A 26 -0.863 6.650 9.173 1.00 0.00 C ATOM 370 O ALA A 26 -0.962 6.350 10.363 1.00 0.00 O ATOM 371 CB ALA A 26 -1.147 4.473 7.892 1.00 0.00 C ATOM 0 H ALA A 26 -0.711 6.609 6.391 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.692 5.814 8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.184 3.922 8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.768 3.970 7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.118 4.513 7.535 1.00 0.00 H new ATOM 377 N GLY A 27 -0.086 7.615 8.706 1.00 0.00 N ATOM 378 CA GLY A 27 0.733 8.416 9.600 1.00 0.00 C ATOM 379 C GLY A 27 2.190 7.951 9.572 1.00 0.00 C ATOM 380 O GLY A 27 3.107 8.762 9.697 1.00 0.00 O ATOM 0 H GLY A 27 -0.006 7.861 7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.677 9.465 9.309 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.344 8.346 10.616 1.00 0.00 H new ATOM 384 N ARG A 28 2.359 6.647 9.407 1.00 0.00 N ATOM 385 CA ARG A 28 3.689 6.064 9.362 1.00 0.00 C ATOM 386 C ARG A 28 4.611 6.915 8.487 1.00 0.00 C ATOM 387 O ARG A 28 4.142 7.687 7.652 1.00 0.00 O ATOM 388 CB ARG A 28 3.646 4.638 8.811 1.00 0.00 C ATOM 389 CG ARG A 28 3.023 3.676 9.826 1.00 0.00 C ATOM 390 CD ARG A 28 3.971 3.432 11.002 1.00 0.00 C ATOM 391 NE ARG A 28 3.324 2.547 11.997 1.00 0.00 N ATOM 392 CZ ARG A 28 3.940 2.063 13.085 1.00 0.00 C ATOM 393 NH1 ARG A 28 5.221 2.376 13.324 1.00 0.00 N ATOM 394 NH2 ARG A 28 3.275 1.268 13.932 1.00 0.00 N ATOM 0 H ARG A 28 1.596 5.978 9.303 1.00 0.00 H new ATOM 0 HA ARG A 28 4.074 6.036 10.381 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.070 4.619 7.886 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.656 4.309 8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.082 4.087 10.192 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.790 2.729 9.339 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.896 2.978 10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.239 4.381 11.467 1.00 0.00 H new ATOM 0 HE ARG A 28 2.349 2.289 11.845 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.727 2.982 12.678 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.690 2.008 14.152 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.300 1.031 13.750 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.743 0.900 14.760 1.00 0.00 H new ATOM 405 N ASN A 29 5.906 6.743 8.706 1.00 0.00 N ATOM 406 CA ASN A 29 6.899 7.486 7.947 1.00 0.00 C ATOM 407 C ASN A 29 7.127 6.795 6.602 1.00 0.00 C ATOM 408 O ASN A 29 7.056 5.570 6.509 1.00 0.00 O ATOM 409 CB ASN A 29 8.237 7.533 8.688 1.00 0.00 C ATOM 410 CG ASN A 29 9.252 8.391 7.932 1.00 0.00 C ATOM 411 OD1 ASN A 29 10.141 7.898 7.257 1.00 0.00 O ATOM 412 ND2 ASN A 29 9.072 9.700 8.082 1.00 0.00 N ATOM 0 H ASN A 29 6.291 6.100 9.398 1.00 0.00 H new ATOM 0 HA ASN A 29 6.528 8.502 7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.088 7.937 9.689 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.627 6.522 8.807 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.698 10.357 7.617 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.308 10.047 8.662 1.00 0.00 H new ATOM 418 N LYS A 30 7.397 7.609 5.592 1.00 0.00 N ATOM 419 CA LYS A 30 7.636 7.091 4.256 1.00 0.00 C ATOM 420 C LYS A 30 8.917 7.712 3.694 1.00 0.00 C ATOM 421 O LYS A 30 8.978 8.920 3.470 1.00 0.00 O ATOM 422 CB LYS A 30 6.408 7.307 3.370 1.00 0.00 C ATOM 423 CG LYS A 30 6.165 8.798 3.122 1.00 0.00 C ATOM 424 CD LYS A 30 4.720 9.179 3.445 1.00 0.00 C ATOM 425 CE LYS A 30 4.662 10.482 4.246 1.00 0.00 C ATOM 426 NZ LYS A 30 4.398 10.200 5.675 1.00 0.00 N ATOM 0 H LYS A 30 7.456 8.624 5.672 1.00 0.00 H new ATOM 0 HA LYS A 30 7.792 6.013 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.547 6.794 2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.531 6.866 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.846 9.388 3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.384 9.038 2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.154 9.291 2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.247 8.378 4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.604 11.021 4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.880 11.127 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.497 10.637 5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.344 9.172 5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.167 10.593 6.254 1.00 0.00 H new ATOM 436 N HIS A 31 9.907 6.859 3.484 1.00 0.00 N ATOM 437 CA HIS A 31 11.183 7.308 2.954 1.00 0.00 C ATOM 438 C HIS A 31 12.079 6.100 2.678 1.00 0.00 C ATOM 439 O HIS A 31 12.416 5.350 3.594 1.00 0.00 O ATOM 440 CB HIS A 31 11.833 8.327 3.892 1.00 0.00 C ATOM 441 CG HIS A 31 12.395 9.539 3.189 1.00 0.00 C ATOM 442 ND1 HIS A 31 13.232 10.447 3.814 1.00 0.00 N ATOM 443 CD2 HIS A 31 12.233 9.982 1.909 1.00 0.00 C ATOM 444 CE1 HIS A 31 13.552 11.391 2.940 1.00 0.00 C ATOM 445 NE2 HIS A 31 12.932 11.101 1.760 1.00 0.00 N ATOM 0 H HIS A 31 9.852 5.858 3.671 1.00 0.00 H new ATOM 0 HA HIS A 31 11.025 7.823 2.006 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.094 8.654 4.624 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.634 7.837 4.445 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.637 9.504 1.146 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.191 12.241 3.129 1.00 0.00 H new ATOM 0 HE2 HIS A 31 12.995 11.653 0.904 1.00 0.00 H new ATOM 452 N GLY A 32 12.440 5.947 1.413 1.00 0.00 N ATOM 453 CA GLY A 32 13.291 4.842 1.005 1.00 0.00 C ATOM 454 C GLY A 32 12.869 4.300 -0.363 1.00 0.00 C ATOM 455 O GLY A 32 12.075 4.926 -1.063 1.00 0.00 O ATOM 0 H GLY A 32 12.159 6.570 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.329 5.173 0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.240 4.045 1.747 1.00 0.00 H new ATOM 459 N ARG A 33 13.420 3.144 -0.702 1.00 0.00 N ATOM 460 CA ARG A 33 13.110 2.512 -1.972 1.00 0.00 C ATOM 461 C ARG A 33 11.721 1.873 -1.922 1.00 0.00 C ATOM 462 O ARG A 33 11.027 1.963 -0.910 1.00 0.00 O ATOM 463 CB ARG A 33 14.145 1.440 -2.320 1.00 0.00 C ATOM 464 CG ARG A 33 15.192 1.984 -3.294 1.00 0.00 C ATOM 465 CD ARG A 33 16.594 1.919 -2.684 1.00 0.00 C ATOM 466 NE ARG A 33 17.543 1.335 -3.657 1.00 0.00 N ATOM 467 CZ ARG A 33 18.843 1.129 -3.408 1.00 0.00 C ATOM 468 NH1 ARG A 33 19.357 1.461 -2.215 1.00 0.00 N ATOM 469 NH2 ARG A 33 19.630 0.593 -4.350 1.00 0.00 N ATOM 0 H ARG A 33 14.079 2.629 -0.119 1.00 0.00 H new ATOM 0 HA ARG A 33 13.130 3.284 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.635 1.094 -1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.646 0.577 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.167 1.408 -4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.952 3.015 -3.553 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.922 2.919 -2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.576 1.318 -1.775 1.00 0.00 H new ATOM 0 HE ARG A 33 17.185 1.073 -4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.758 1.870 -1.498 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.347 1.304 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 33 19.240 0.341 -5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.620 0.437 -4.159 1.00 0.00 H new ATOM 480 N LYS A 34 11.355 1.241 -3.028 1.00 0.00 N ATOM 481 CA LYS A 34 10.061 0.587 -3.124 1.00 0.00 C ATOM 482 C LYS A 34 10.042 -0.634 -2.202 1.00 0.00 C ATOM 483 O LYS A 34 9.075 -0.853 -1.475 1.00 0.00 O ATOM 484 CB LYS A 34 9.732 0.262 -4.582 1.00 0.00 C ATOM 485 CG LYS A 34 8.245 -0.060 -4.750 1.00 0.00 C ATOM 486 CD LYS A 34 8.037 -1.179 -5.772 1.00 0.00 C ATOM 487 CE LYS A 34 6.657 -1.077 -6.425 1.00 0.00 C ATOM 488 NZ LYS A 34 6.731 -0.283 -7.671 1.00 0.00 N ATOM 0 H LYS A 34 11.933 1.168 -3.866 1.00 0.00 H new ATOM 0 HA LYS A 34 9.270 1.256 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.999 1.108 -5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.331 -0.586 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.823 -0.357 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.710 0.834 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.810 -1.125 -6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.141 -2.147 -5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.277 -2.075 -6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.954 -0.614 -5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.786 -0.224 -8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.073 0.675 -7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.386 -0.741 -8.336 1.00 0.00 H new ATOM 498 N HIS A 35 11.123 -1.398 -2.262 1.00 0.00 N ATOM 499 CA HIS A 35 11.243 -2.591 -1.442 1.00 0.00 C ATOM 500 C HIS A 35 11.098 -2.216 0.035 1.00 0.00 C ATOM 501 O HIS A 35 10.396 -2.891 0.785 1.00 0.00 O ATOM 502 CB HIS A 35 12.551 -3.327 -1.740 1.00 0.00 C ATOM 503 CG HIS A 35 12.806 -4.514 -0.843 1.00 0.00 C ATOM 504 ND1 HIS A 35 14.079 -4.975 -0.553 1.00 0.00 N ATOM 505 CD2 HIS A 35 11.940 -5.328 -0.175 1.00 0.00 C ATOM 506 CE1 HIS A 35 13.971 -6.021 0.253 1.00 0.00 C ATOM 507 NE2 HIS A 35 12.646 -6.239 0.487 1.00 0.00 N ATOM 0 H HIS A 35 11.924 -1.214 -2.866 1.00 0.00 H new ATOM 0 HA HIS A 35 10.439 -3.285 -1.686 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.538 -3.664 -2.776 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.380 -2.626 -1.643 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.863 -5.246 -0.182 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.790 -6.600 0.654 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.260 -6.979 1.073 1.00 0.00 H new ATOM 514 N GLU A 36 11.774 -1.139 0.407 1.00 0.00 N ATOM 515 CA GLU A 36 11.729 -0.666 1.780 1.00 0.00 C ATOM 516 C GLU A 36 10.342 -0.110 2.105 1.00 0.00 C ATOM 517 O GLU A 36 9.820 -0.332 3.197 1.00 0.00 O ATOM 518 CB GLU A 36 12.813 0.384 2.034 1.00 0.00 C ATOM 519 CG GLU A 36 14.205 -0.187 1.757 1.00 0.00 C ATOM 520 CD GLU A 36 15.284 0.632 2.468 1.00 0.00 C ATOM 521 OE1 GLU A 36 15.326 1.855 2.216 1.00 0.00 O ATOM 522 OE2 GLU A 36 16.044 0.015 3.246 1.00 0.00 O ATOM 0 H GLU A 36 12.356 -0.581 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 36 11.925 -1.511 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.639 1.252 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.756 0.728 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.250 -1.223 2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.394 -0.190 0.683 1.00 0.00 H new ATOM 527 N LEU A 37 9.782 0.602 1.137 1.00 0.00 N ATOM 528 CA LEU A 37 8.464 1.190 1.307 1.00 0.00 C ATOM 529 C LEU A 37 7.416 0.077 1.362 1.00 0.00 C ATOM 530 O LEU A 37 6.465 0.153 2.139 1.00 0.00 O ATOM 531 CB LEU A 37 8.198 2.231 0.218 1.00 0.00 C ATOM 532 CG LEU A 37 8.740 3.636 0.487 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.600 4.524 -0.752 1.00 0.00 C ATOM 534 CD2 LEU A 37 8.070 4.257 1.714 1.00 0.00 C ATOM 0 H LEU A 37 10.217 0.785 0.233 1.00 0.00 H new ATOM 0 HA LEU A 37 8.407 1.729 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.629 1.869 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.121 2.301 0.066 1.00 0.00 H new ATOM 0 HG LEU A 37 9.804 3.555 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.993 5.517 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.159 4.086 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.548 4.602 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.474 5.255 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.995 4.324 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.263 3.635 2.588 1.00 0.00 H new ATOM 545 N LEU A 38 7.626 -0.932 0.530 1.00 0.00 N ATOM 546 CA LEU A 38 6.711 -2.060 0.474 1.00 0.00 C ATOM 547 C LEU A 38 6.623 -2.707 1.857 1.00 0.00 C ATOM 548 O LEU A 38 5.540 -3.085 2.301 1.00 0.00 O ATOM 549 CB LEU A 38 7.124 -3.030 -0.635 1.00 0.00 C ATOM 550 CG LEU A 38 6.160 -3.146 -1.817 1.00 0.00 C ATOM 551 CD1 LEU A 38 4.706 -3.152 -1.340 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.421 -2.046 -2.848 1.00 0.00 C ATOM 0 H LEU A 38 8.417 -0.992 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 38 5.707 -1.725 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.098 -2.723 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.251 -4.020 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 38 6.340 -4.100 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.041 -3.235 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.545 -3.999 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.494 -2.225 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.722 -2.152 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.285 -1.070 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.442 -2.131 -3.220 1.00 0.00 H new ATOM 563 N THR A 39 7.776 -2.817 2.499 1.00 0.00 N ATOM 564 CA THR A 39 7.843 -3.412 3.822 1.00 0.00 C ATOM 565 C THR A 39 6.959 -2.637 4.802 1.00 0.00 C ATOM 566 O THR A 39 6.278 -3.232 5.634 1.00 0.00 O ATOM 567 CB THR A 39 9.313 -3.466 4.244 1.00 0.00 C ATOM 568 OG1 THR A 39 9.923 -4.303 3.265 1.00 0.00 O ATOM 569 CG2 THR A 39 9.519 -4.220 5.559 1.00 0.00 C ATOM 0 H THR A 39 8.672 -2.504 2.127 1.00 0.00 H new ATOM 0 HA THR A 39 7.454 -4.430 3.816 1.00 0.00 H new ATOM 0 HB THR A 39 9.699 -2.452 4.344 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.124 -3.776 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.579 -4.228 5.811 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.961 -3.725 6.354 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.164 -5.245 5.450 1.00 0.00 H new ATOM 577 N LYS A 40 7.000 -1.319 4.669 1.00 0.00 N ATOM 578 CA LYS A 40 6.211 -0.456 5.532 1.00 0.00 C ATOM 579 C LYS A 40 4.724 -0.701 5.269 1.00 0.00 C ATOM 580 O LYS A 40 3.930 -0.784 6.205 1.00 0.00 O ATOM 581 CB LYS A 40 6.633 1.005 5.359 1.00 0.00 C ATOM 582 CG LYS A 40 7.863 1.324 6.210 1.00 0.00 C ATOM 583 CD LYS A 40 9.113 1.460 5.339 1.00 0.00 C ATOM 584 CE LYS A 40 9.854 2.763 5.642 1.00 0.00 C ATOM 585 NZ LYS A 40 10.136 2.874 7.091 1.00 0.00 N ATOM 0 H LYS A 40 7.567 -0.828 3.977 1.00 0.00 H new ATOM 0 HA LYS A 40 6.394 -0.695 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.851 1.202 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.810 1.661 5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.698 2.249 6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.014 0.536 6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.775 0.612 5.513 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.831 1.434 4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.787 2.797 5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.255 3.613 5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.027 3.391 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.361 3.387 7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.219 1.922 7.502 1.00 0.00 H new ATOM 595 N ALA A 41 4.391 -0.810 3.991 1.00 0.00 N ATOM 596 CA ALA A 41 3.014 -1.044 3.594 1.00 0.00 C ATOM 597 C ALA A 41 2.606 -2.463 3.993 1.00 0.00 C ATOM 598 O ALA A 41 1.497 -2.681 4.480 1.00 0.00 O ATOM 599 CB ALA A 41 2.866 -0.796 2.091 1.00 0.00 C ATOM 0 H ALA A 41 5.052 -0.740 3.217 1.00 0.00 H new ATOM 0 HA ALA A 41 2.345 -0.352 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.832 -0.972 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.139 0.235 1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.521 -1.474 1.544 1.00 0.00 H new ATOM 605 N LEU A 42 3.524 -3.392 3.773 1.00 0.00 N ATOM 606 CA LEU A 42 3.275 -4.785 4.105 1.00 0.00 C ATOM 607 C LEU A 42 3.140 -4.927 5.622 1.00 0.00 C ATOM 608 O LEU A 42 2.239 -5.610 6.107 1.00 0.00 O ATOM 609 CB LEU A 42 4.355 -5.682 3.496 1.00 0.00 C ATOM 610 CG LEU A 42 4.390 -5.747 1.968 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.616 -7.181 1.485 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.127 -5.131 1.364 1.00 0.00 C ATOM 0 H LEU A 42 4.442 -3.208 3.369 1.00 0.00 H new ATOM 0 HA LEU A 42 2.333 -5.119 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.327 -5.336 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.218 -6.693 3.880 1.00 0.00 H new ATOM 0 HG LEU A 42 5.236 -5.153 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.637 -7.199 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.566 -7.550 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.807 -7.817 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.178 -5.190 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.252 -5.676 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.051 -4.087 1.667 1.00 0.00 H new ATOM 623 N HIS A 43 4.049 -4.273 6.329 1.00 0.00 N ATOM 624 CA HIS A 43 4.042 -4.318 7.781 1.00 0.00 C ATOM 625 C HIS A 43 2.775 -3.644 8.310 1.00 0.00 C ATOM 626 O HIS A 43 2.288 -3.987 9.386 1.00 0.00 O ATOM 627 CB HIS A 43 5.322 -3.702 8.350 1.00 0.00 C ATOM 628 CG HIS A 43 5.427 -3.782 9.854 1.00 0.00 C ATOM 629 ND1 HIS A 43 6.303 -3.001 10.587 1.00 0.00 N ATOM 630 CD2 HIS A 43 4.757 -4.556 10.754 1.00 0.00 C ATOM 631 CE1 HIS A 43 6.159 -3.301 11.869 1.00 0.00 C ATOM 632 NE2 HIS A 43 5.200 -4.266 11.971 1.00 0.00 N ATOM 0 H HIS A 43 4.796 -3.709 5.923 1.00 0.00 H new ATOM 0 HA HIS A 43 4.027 -5.355 8.115 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.182 -4.205 7.909 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.375 -2.656 8.048 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.994 -5.283 10.517 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.705 -2.859 12.690 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.877 -4.694 12.839 1.00 0.00 H new ATOM 639 N LEU A 44 2.276 -2.698 7.529 1.00 0.00 N ATOM 640 CA LEU A 44 1.074 -1.973 7.904 1.00 0.00 C ATOM 641 C LEU A 44 -0.082 -2.962 8.069 1.00 0.00 C ATOM 642 O LEU A 44 -0.847 -2.875 9.029 1.00 0.00 O ATOM 643 CB LEU A 44 0.789 -0.852 6.903 1.00 0.00 C ATOM 644 CG LEU A 44 1.186 0.558 7.342 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.592 1.612 6.407 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.802 0.806 8.803 1.00 0.00 C ATOM 0 H LEU A 44 2.683 -2.416 6.637 1.00 0.00 H new ATOM 0 HA LEU A 44 1.211 -1.480 8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.310 -1.081 5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.278 -0.854 6.680 1.00 0.00 H new ATOM 0 HG LEU A 44 2.271 0.643 7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.890 2.605 6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.957 1.446 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.495 1.537 6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.095 1.816 9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.276 0.694 8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.313 0.085 9.441 1.00 0.00 H new ATOM 657 N LEU A 45 -0.174 -3.878 7.116 1.00 0.00 N ATOM 658 CA LEU A 45 -1.224 -4.882 7.143 1.00 0.00 C ATOM 659 C LEU A 45 -1.026 -5.789 8.358 1.00 0.00 C ATOM 660 O LEU A 45 -1.948 -5.984 9.148 1.00 0.00 O ATOM 661 CB LEU A 45 -1.276 -5.638 5.813 1.00 0.00 C ATOM 662 CG LEU A 45 -1.631 -4.803 4.581 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.499 -4.833 3.554 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.964 -5.255 3.978 1.00 0.00 C ATOM 0 H LEU A 45 0.461 -3.946 6.321 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.200 -4.410 7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.305 -6.104 5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.005 -6.444 5.904 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.754 -3.766 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.777 -4.232 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.409 -4.428 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.320 -5.861 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.193 -4.646 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.893 -6.302 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.756 -5.140 4.718 1.00 0.00 H new ATOM 675 N LYS A 46 0.182 -6.321 8.470 1.00 0.00 N ATOM 676 CA LYS A 46 0.513 -7.203 9.575 1.00 0.00 C ATOM 677 C LYS A 46 0.389 -6.432 10.891 1.00 0.00 C ATOM 678 O LYS A 46 0.117 -7.021 11.937 1.00 0.00 O ATOM 679 CB LYS A 46 1.889 -7.837 9.362 1.00 0.00 C ATOM 680 CG LYS A 46 1.995 -9.177 10.093 1.00 0.00 C ATOM 681 CD LYS A 46 2.849 -10.169 9.301 1.00 0.00 C ATOM 682 CE LYS A 46 4.330 -9.785 9.359 1.00 0.00 C ATOM 683 NZ LYS A 46 4.742 -9.121 8.102 1.00 0.00 N ATOM 0 H LYS A 46 0.944 -6.158 7.812 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.191 -8.034 9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.064 -7.985 8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.665 -7.160 9.721 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.432 -9.023 11.080 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.999 -9.591 10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.714 -11.173 9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.516 -10.194 8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.507 -9.119 10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.937 -10.676 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.749 -8.867 8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.592 -9.768 7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.175 -8.260 7.962 1.00 0.00 H new ATOM 693 N ALA A 47 0.594 -5.127 10.798 1.00 0.00 N ATOM 694 CA ALA A 47 0.508 -4.269 11.968 1.00 0.00 C ATOM 695 C ALA A 47 -0.957 -3.904 12.220 1.00 0.00 C ATOM 696 O ALA A 47 -1.256 -3.103 13.104 1.00 0.00 O ATOM 697 CB ALA A 47 1.390 -3.036 11.763 1.00 0.00 C ATOM 0 H ALA A 47 0.820 -4.642 9.930 1.00 0.00 H new ATOM 0 HA ALA A 47 0.875 -4.788 12.853 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.325 -2.393 12.640 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.424 -3.348 11.617 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.050 -2.487 10.885 1.00 0.00 H new ATOM 703 N GLY A 48 -1.829 -4.509 11.429 1.00 0.00 N ATOM 704 CA GLY A 48 -3.254 -4.257 11.555 1.00 0.00 C ATOM 705 C GLY A 48 -3.640 -2.936 10.888 1.00 0.00 C ATOM 706 O GLY A 48 -4.021 -1.983 11.564 1.00 0.00 O ATOM 0 H GLY A 48 -1.576 -5.174 10.698 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.813 -5.075 11.100 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.530 -4.230 12.609 1.00 0.00 H new ATOM 710 N CYS A 49 -3.524 -2.922 9.567 1.00 0.00 N ATOM 711 CA CYS A 49 -3.856 -1.732 8.801 1.00 0.00 C ATOM 712 C CYS A 49 -5.377 -1.573 8.794 1.00 0.00 C ATOM 713 O CYS A 49 -6.099 -2.488 8.402 1.00 0.00 O ATOM 714 CB CYS A 49 -3.282 -1.795 7.384 1.00 0.00 C ATOM 715 SG CYS A 49 -4.242 -2.981 6.372 1.00 0.00 S ATOM 0 H CYS A 49 -3.205 -3.714 9.009 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.403 -0.857 9.268 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.312 -0.806 6.926 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.236 -2.098 7.420 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.395 -3.195 6.932 1.00 0.00 H new ATOM 720 N SER A 50 -5.820 -0.404 9.233 1.00 0.00 N ATOM 721 CA SER A 50 -7.243 -0.112 9.282 1.00 0.00 C ATOM 722 C SER A 50 -7.889 -0.432 7.933 1.00 0.00 C ATOM 723 O SER A 50 -7.194 -0.622 6.937 1.00 0.00 O ATOM 724 CB SER A 50 -7.493 1.349 9.659 1.00 0.00 C ATOM 725 OG SER A 50 -8.000 1.479 10.984 1.00 0.00 O ATOM 0 H SER A 50 -5.218 0.353 9.558 1.00 0.00 H new ATOM 0 HA SER A 50 -7.695 -0.738 10.051 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.563 1.911 9.570 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.200 1.789 8.956 1.00 0.00 H new ATOM 0 HG SER A 50 -8.145 2.427 11.187 1.00 0.00 H new ATOM 730 N PRO A 51 -9.248 -0.482 7.945 1.00 0.00 N ATOM 731 CA PRO A 51 -9.997 -0.775 6.734 1.00 0.00 C ATOM 732 C PRO A 51 -10.015 0.433 5.795 1.00 0.00 C ATOM 733 O PRO A 51 -10.381 0.310 4.627 1.00 0.00 O ATOM 734 CB PRO A 51 -11.383 -1.174 7.215 1.00 0.00 C ATOM 735 CG PRO A 51 -11.500 -0.646 8.635 1.00 0.00 C ATOM 736 CD PRO A 51 -10.106 -0.262 9.106 1.00 0.00 C ATOM 0 HA PRO A 51 -9.549 -1.575 6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.156 -0.748 6.575 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.509 -2.256 7.189 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.165 0.217 8.668 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.929 -1.404 9.290 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.071 0.777 9.433 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.792 -0.873 9.952 1.00 0.00 H new ATOM 741 N ALA A 52 -9.615 1.572 6.340 1.00 0.00 N ATOM 742 CA ALA A 52 -9.581 2.802 5.566 1.00 0.00 C ATOM 743 C ALA A 52 -8.441 2.727 4.549 1.00 0.00 C ATOM 744 O ALA A 52 -8.609 3.112 3.393 1.00 0.00 O ATOM 745 CB ALA A 52 -9.442 3.996 6.511 1.00 0.00 C ATOM 0 H ALA A 52 -9.311 1.670 7.309 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.510 2.933 5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.416 4.918 5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.291 4.020 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.519 3.902 7.083 1.00 0.00 H new ATOM 751 N VAL A 53 -7.305 2.228 5.016 1.00 0.00 N ATOM 752 CA VAL A 53 -6.138 2.098 4.161 1.00 0.00 C ATOM 753 C VAL A 53 -6.328 0.905 3.222 1.00 0.00 C ATOM 754 O VAL A 53 -5.833 0.911 2.097 1.00 0.00 O ATOM 755 CB VAL A 53 -4.874 1.989 5.016 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.619 2.226 4.172 1.00 0.00 C ATOM 757 CG2 VAL A 53 -4.928 2.955 6.201 1.00 0.00 C ATOM 0 H VAL A 53 -7.169 1.909 5.975 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.020 2.985 3.539 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.825 0.975 5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.735 2.143 4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.569 1.481 3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.659 3.223 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.017 2.857 6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.014 3.978 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.792 2.720 6.823 1.00 0.00 H new ATOM 767 N GLN A 54 -7.050 -0.089 3.719 1.00 0.00 N ATOM 768 CA GLN A 54 -7.313 -1.286 2.939 1.00 0.00 C ATOM 769 C GLN A 54 -8.061 -0.927 1.653 1.00 0.00 C ATOM 770 O GLN A 54 -7.758 -1.459 0.586 1.00 0.00 O ATOM 771 CB GLN A 54 -8.094 -2.315 3.759 1.00 0.00 C ATOM 772 CG GLN A 54 -7.163 -3.098 4.687 1.00 0.00 C ATOM 773 CD GLN A 54 -7.612 -4.555 4.813 1.00 0.00 C ATOM 774 OE1 GLN A 54 -8.395 -5.061 4.025 1.00 0.00 O ATOM 775 NE2 GLN A 54 -7.075 -5.199 5.845 1.00 0.00 N ATOM 0 H GLN A 54 -7.461 -0.090 4.653 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.358 -1.736 2.668 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.860 -1.810 4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.609 -3.004 3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.144 -3.060 4.302 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.149 -2.632 5.672 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.426 -4.716 6.466 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.312 -6.176 6.015 1.00 0.00 H new ATOM 782 N MET A 55 -9.022 -0.028 1.797 1.00 0.00 N ATOM 783 CA MET A 55 -9.816 0.407 0.661 1.00 0.00 C ATOM 784 C MET A 55 -8.991 1.290 -0.278 1.00 0.00 C ATOM 785 O MET A 55 -9.186 1.263 -1.492 1.00 0.00 O ATOM 786 CB MET A 55 -11.033 1.190 1.157 1.00 0.00 C ATOM 787 CG MET A 55 -11.929 0.311 2.033 1.00 0.00 C ATOM 788 SD MET A 55 -12.897 -0.785 1.010 1.00 0.00 S ATOM 789 CE MET A 55 -13.926 -1.544 2.255 1.00 0.00 C ATOM 0 H MET A 55 -9.269 0.412 2.684 1.00 0.00 H new ATOM 0 HA MET A 55 -10.140 -0.476 0.110 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.704 2.060 1.725 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.603 1.562 0.305 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.319 -0.269 2.725 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.588 0.936 2.636 1.00 0.00 H new ATOM 0 HE1 MET A 55 -14.597 -2.262 1.784 1.00 0.00 H new ATOM 0 HE2 MET A 55 -13.298 -2.057 2.983 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.513 -0.776 2.760 1.00 0.00 H new ATOM 797 N LYS A 56 -8.085 2.050 0.320 1.00 0.00 N ATOM 798 CA LYS A 56 -7.230 2.939 -0.448 1.00 0.00 C ATOM 799 C LYS A 56 -6.375 2.112 -1.410 1.00 0.00 C ATOM 800 O LYS A 56 -5.974 2.598 -2.466 1.00 0.00 O ATOM 801 CB LYS A 56 -6.413 3.835 0.486 1.00 0.00 C ATOM 802 CG LYS A 56 -6.034 5.147 -0.206 1.00 0.00 C ATOM 803 CD LYS A 56 -7.216 6.118 -0.223 1.00 0.00 C ATOM 804 CE LYS A 56 -7.157 7.074 0.970 1.00 0.00 C ATOM 805 NZ LYS A 56 -7.718 8.394 0.604 1.00 0.00 N ATOM 0 H LYS A 56 -7.925 2.068 1.327 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.831 3.615 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.988 4.048 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.510 3.311 0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.190 5.604 0.311 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.711 4.944 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.209 6.689 -1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.151 5.559 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.715 6.655 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.125 7.190 1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.670 9.031 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.169 8.799 -0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.709 8.281 0.311 1.00 0.00 H new ATOM 815 N ILE A 57 -6.121 0.874 -1.011 1.00 0.00 N ATOM 816 CA ILE A 57 -5.321 -0.026 -1.824 1.00 0.00 C ATOM 817 C ILE A 57 -6.038 -0.280 -3.151 1.00 0.00 C ATOM 818 O ILE A 57 -5.412 -0.283 -4.209 1.00 0.00 O ATOM 819 CB ILE A 57 -4.993 -1.302 -1.047 1.00 0.00 C ATOM 820 CG1 ILE A 57 -4.155 -0.989 0.194 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.318 -2.336 -1.950 1.00 0.00 C ATOM 822 CD1 ILE A 57 -4.249 -2.121 1.220 1.00 0.00 C ATOM 0 H ILE A 57 -6.455 0.473 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.360 0.429 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.929 -1.740 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.114 -0.840 -0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.498 -0.057 0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.096 -3.233 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.985 -2.591 -2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.392 -1.922 -2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.644 -1.873 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.288 -2.251 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.882 -3.046 0.776 1.00 0.00 H new ATOM 833 N LYS A 58 -7.343 -0.489 -3.052 1.00 0.00 N ATOM 834 CA LYS A 58 -8.152 -0.744 -4.231 1.00 0.00 C ATOM 835 C LYS A 58 -8.260 0.539 -5.057 1.00 0.00 C ATOM 836 O LYS A 58 -8.219 0.496 -6.286 1.00 0.00 O ATOM 837 CB LYS A 58 -9.506 -1.335 -3.834 1.00 0.00 C ATOM 838 CG LYS A 58 -9.335 -2.713 -3.190 1.00 0.00 C ATOM 839 CD LYS A 58 -10.404 -2.956 -2.121 1.00 0.00 C ATOM 840 CE LYS A 58 -11.625 -3.658 -2.718 1.00 0.00 C ATOM 841 NZ LYS A 58 -12.863 -2.921 -2.381 1.00 0.00 N ATOM 0 H LYS A 58 -7.860 -0.487 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.677 -1.493 -4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.010 -0.664 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.143 -1.418 -4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.399 -3.486 -3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.344 -2.789 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.988 -3.563 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.705 -2.006 -1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.519 -3.727 -3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.687 -4.678 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.682 -3.411 -2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.971 -2.877 -1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.808 -1.956 -2.764 1.00 0.00 H new ATOM 851 N GLU A 59 -8.397 1.651 -4.349 1.00 0.00 N ATOM 852 CA GLU A 59 -8.511 2.944 -5.003 1.00 0.00 C ATOM 853 C GLU A 59 -7.184 3.325 -5.663 1.00 0.00 C ATOM 854 O GLU A 59 -7.155 3.694 -6.836 1.00 0.00 O ATOM 855 CB GLU A 59 -8.958 4.021 -4.012 1.00 0.00 C ATOM 856 CG GLU A 59 -10.135 3.532 -3.165 1.00 0.00 C ATOM 857 CD GLU A 59 -11.318 4.497 -3.260 1.00 0.00 C ATOM 858 OE1 GLU A 59 -11.144 5.653 -2.817 1.00 0.00 O ATOM 859 OE2 GLU A 59 -12.370 4.058 -3.773 1.00 0.00 O ATOM 0 H GLU A 59 -8.432 1.683 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.273 2.870 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.125 4.291 -3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.245 4.922 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.442 2.541 -3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.823 3.435 -2.125 1.00 0.00 H new ATOM 864 N LEU A 60 -6.119 3.221 -4.882 1.00 0.00 N ATOM 865 CA LEU A 60 -4.794 3.549 -5.376 1.00 0.00 C ATOM 866 C LEU A 60 -4.448 2.628 -6.548 1.00 0.00 C ATOM 867 O LEU A 60 -3.918 3.079 -7.562 1.00 0.00 O ATOM 868 CB LEU A 60 -3.771 3.506 -4.238 1.00 0.00 C ATOM 869 CG LEU A 60 -3.812 4.677 -3.255 1.00 0.00 C ATOM 870 CD1 LEU A 60 -3.325 4.248 -1.869 1.00 0.00 C ATOM 871 CD2 LEU A 60 -3.025 5.874 -3.794 1.00 0.00 C ATOM 0 H LEU A 60 -6.148 2.914 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.772 4.571 -5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.918 2.582 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.773 3.459 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.849 4.995 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.364 5.100 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.964 3.451 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.299 3.887 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.070 6.693 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.986 5.586 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.458 6.198 -4.741 1.00 0.00 H new ATOM 882 N TYR A 61 -4.762 1.354 -6.369 1.00 0.00 N ATOM 883 CA TYR A 61 -4.492 0.365 -7.400 1.00 0.00 C ATOM 884 C TYR A 61 -5.414 0.562 -8.604 1.00 0.00 C ATOM 885 O TYR A 61 -4.965 0.521 -9.748 1.00 0.00 O ATOM 886 CB TYR A 61 -4.785 -0.996 -6.765 1.00 0.00 C ATOM 887 CG TYR A 61 -4.567 -2.182 -7.707 1.00 0.00 C ATOM 888 CD1 TYR A 61 -3.329 -2.790 -7.776 1.00 0.00 C ATOM 889 CD2 TYR A 61 -5.608 -2.644 -8.487 1.00 0.00 C ATOM 890 CE1 TYR A 61 -3.124 -3.905 -8.662 1.00 0.00 C ATOM 891 CE2 TYR A 61 -5.401 -3.760 -9.373 1.00 0.00 C ATOM 892 CZ TYR A 61 -4.170 -4.336 -9.417 1.00 0.00 C ATOM 893 OH TYR A 61 -3.976 -5.390 -10.255 1.00 0.00 O ATOM 0 H TYR A 61 -5.201 0.983 -5.526 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.464 0.449 -7.753 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.150 -1.120 -5.888 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.817 -1.008 -6.416 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.515 -2.429 -7.165 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.576 -2.169 -8.433 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.161 -4.389 -8.726 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.206 -4.132 -9.989 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.810 -5.588 -10.730 1.00 0.00 H new ATOM 902 N ARG A 62 -6.688 0.771 -8.306 1.00 0.00 N ATOM 903 CA ARG A 62 -7.678 0.975 -9.349 1.00 0.00 C ATOM 904 C ARG A 62 -7.251 2.120 -10.270 1.00 0.00 C ATOM 905 O ARG A 62 -7.051 1.918 -11.467 1.00 0.00 O ATOM 906 CB ARG A 62 -9.050 1.293 -8.754 1.00 0.00 C ATOM 907 CG ARG A 62 -9.823 0.011 -8.440 1.00 0.00 C ATOM 908 CD ARG A 62 -10.946 0.278 -7.436 1.00 0.00 C ATOM 909 NE ARG A 62 -11.618 -0.990 -7.078 1.00 0.00 N ATOM 910 CZ ARG A 62 -12.694 -1.073 -6.285 1.00 0.00 C ATOM 911 NH1 ARG A 62 -13.228 0.040 -5.760 1.00 0.00 N ATOM 912 NH2 ARG A 62 -13.239 -2.267 -6.014 1.00 0.00 N ATOM 0 H ARG A 62 -7.057 0.803 -7.356 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.750 0.050 -9.922 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.928 1.880 -7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.621 1.904 -9.453 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.242 -0.399 -9.359 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.142 -0.739 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.540 0.749 -6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.668 0.974 -7.863 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.238 -1.856 -7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.815 0.950 -5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.048 -0.023 -5.156 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.834 -3.114 -6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.058 -2.328 -5.410 1.00 0.00 H new ATOM 923 N ARG A 63 -7.123 3.298 -9.676 1.00 0.00 N ATOM 924 CA ARG A 63 -6.723 4.475 -10.427 1.00 0.00 C ATOM 925 C ARG A 63 -5.647 4.111 -11.451 1.00 0.00 C ATOM 926 O ARG A 63 -5.627 4.655 -12.555 1.00 0.00 O ATOM 927 CB ARG A 63 -6.185 5.566 -9.498 1.00 0.00 C ATOM 928 CG ARG A 63 -7.328 6.302 -8.797 1.00 0.00 C ATOM 929 CD ARG A 63 -6.839 7.615 -8.181 1.00 0.00 C ATOM 930 NE ARG A 63 -6.674 8.639 -9.237 1.00 0.00 N ATOM 931 CZ ARG A 63 -7.690 9.192 -9.912 1.00 0.00 C ATOM 932 NH1 ARG A 63 -8.952 8.824 -9.646 1.00 0.00 N ATOM 933 NH2 ARG A 63 -7.446 10.113 -10.853 1.00 0.00 N ATOM 0 H ARG A 63 -7.289 3.462 -8.683 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.606 4.855 -10.941 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.524 5.122 -8.754 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.589 6.275 -10.072 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.126 6.506 -9.511 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.751 5.667 -8.019 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.552 7.963 -7.433 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.891 7.454 -7.667 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.727 8.942 -9.465 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.138 8.123 -8.929 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.725 9.246 -10.160 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.486 10.393 -11.056 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.220 10.534 -11.367 1.00 0.00 H new ATOM 944 N ARG A 64 -4.779 3.195 -11.050 1.00 0.00 N ATOM 945 CA ARG A 64 -3.703 2.751 -11.920 1.00 0.00 C ATOM 946 C ARG A 64 -4.032 1.382 -12.518 1.00 0.00 C ATOM 947 O ARG A 64 -3.214 0.466 -12.469 1.00 0.00 O ATOM 948 CB ARG A 64 -2.379 2.661 -11.156 1.00 0.00 C ATOM 949 CG ARG A 64 -1.899 4.049 -10.727 1.00 0.00 C ATOM 950 CD ARG A 64 -0.524 3.969 -10.059 1.00 0.00 C ATOM 951 NE ARG A 64 0.432 4.852 -10.763 1.00 0.00 N ATOM 952 CZ ARG A 64 1.103 4.503 -11.869 1.00 0.00 C ATOM 953 NH1 ARG A 64 0.925 3.288 -12.405 1.00 0.00 N ATOM 954 NH2 ARG A 64 1.950 5.371 -12.440 1.00 0.00 N ATOM 0 H ARG A 64 -4.798 2.747 -10.134 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.600 3.484 -12.720 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.504 2.028 -10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.624 2.189 -11.784 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.848 4.705 -11.596 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.618 4.490 -10.037 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.601 4.264 -9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.162 2.941 -10.075 1.00 0.00 H new ATOM 0 HE ARG A 64 0.590 5.785 -10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.279 2.629 -11.971 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.436 3.022 -13.247 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.083 6.297 -12.033 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.461 5.106 -13.282 1.00 0.00 H new ATOM 965 N PHE A 65 -5.234 1.288 -13.070 1.00 0.00 N ATOM 966 CA PHE A 65 -5.682 0.046 -13.677 1.00 0.00 C ATOM 967 C PHE A 65 -5.011 -0.175 -15.034 1.00 0.00 C ATOM 968 O PHE A 65 -4.522 -1.268 -15.318 1.00 0.00 O ATOM 969 CB PHE A 65 -7.193 0.169 -13.883 1.00 0.00 C ATOM 970 CG PHE A 65 -7.618 1.433 -14.634 1.00 0.00 C ATOM 971 CD1 PHE A 65 -7.262 1.604 -15.935 1.00 0.00 C ATOM 972 CD2 PHE A 65 -8.351 2.387 -13.999 1.00 0.00 C ATOM 973 CE1 PHE A 65 -7.655 2.777 -16.631 1.00 0.00 C ATOM 974 CE2 PHE A 65 -8.745 3.561 -14.695 1.00 0.00 C ATOM 975 CZ PHE A 65 -8.389 3.731 -15.996 1.00 0.00 C ATOM 0 H PHE A 65 -5.910 2.051 -13.109 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.426 -0.796 -13.034 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.547 -0.704 -14.432 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.684 0.154 -12.910 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.680 0.847 -16.439 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.633 2.252 -12.965 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.372 2.912 -17.664 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.327 4.318 -14.191 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.689 4.623 -16.526 1.00 0.00 H new