USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 902 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: B 7 TYR OH : rot 20:sc= 0.707 USER MOD Set 1.2: B 28 SER OG : rot 42:sc= 0.786 USER MOD Set 2.1: A 48 ASN : amide:sc= -1.18 K(o=-1.5,f=-0.94) USER MOD Set 2.2: B 1 MET CE :methyl -169:sc= -0.319 (180deg=-0.18) USER MOD Set 3.1: A 59 THR OG1 : rot 64:sc= 0.137 USER MOD Set 3.2: B 35 LYS NZ :NH3+ -143:sc= 0.425 (180deg=-0.241) USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= 0.378 USER MOD Set 4.2: B 46 LYS NZ :NH3+ -149:sc= 1.58 (180deg=-0.00666) USER MOD Set 5.1: A 46 LYS NZ :NH3+ -154:sc= 1.85 (180deg=0.209) USER MOD Set 5.2: B 54 THR OG1 : rot 180:sc= 0.549 USER MOD Set 6.1: A 1 MET CE :methyl -172:sc=-0.00681 (180deg=-0.129) USER MOD Set 6.2: B 48 ASN : amide:sc= -0.963 K(o=-0.97,f=-0.26) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0958 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.0601 USER MOD Single : A 3 LYS NZ :NH3+ 151:sc= -0.553 (180deg=-0.931) USER MOD Single : A 7 TYR OH : rot 180:sc= 0.836 USER MOD Single : A 8 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.489 USER MOD Single : A 19 LYS NZ :NH3+ -107:sc= 1.26 (180deg=-0.216) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.0699 X(o=0.07,f=-0.0099) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.501 USER MOD Single : A 26 MET CE :methyl -155:sc= -4.69! (180deg=-6.72!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -67:sc= 0.0987 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 0.803 (180deg=0.711) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.267 X(o=-0.27,f=0.06) USER MOD Single : A 44 SER OG : rot -130:sc= -0.157 USER MOD Single : A 49 SER OG : rot 82:sc= 0.0156 USER MOD Single : A 58 THR OG1 : rot -38:sc= 0.362 USER MOD Single : B 1 MET N :NH3+ -110:sc= 0.0893 (180deg=0) USER MOD Single : B 2 TYR OH : rot -110:sc= -0.756 USER MOD Single : B 3 LYS NZ :NH3+ 171:sc=-0.00029 (180deg=-0.0925) USER MOD Single : B 8 GLN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ -133:sc= 0.921 (180deg=0.0369) USER MOD Single : B 21 SER OG : rot 180:sc= 0.00227 USER MOD Single : B 22 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 25 THR OG1 : rot 160:sc= -0.238 USER MOD Single : B 26 MET CE :methyl -155:sc= -5.31! (180deg=-7.07!) USER MOD Single : B 29 SER OG : rot 59:sc= 0.484 USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0292) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HE2:sc= -0.365 K(o=-0.37,f=-1.1) USER MOD Single : B 44 SER OG : rot -120:sc= -0.615 USER MOD Single : B 49 SER OG : rot 84:sc= 0.0264 USER MOD Single : B 58 THR OG1 : rot -42:sc= 0.367 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.686 8.514 11.056 1.00 0.00 N ATOM 2 CA MET A 1 -11.094 8.529 9.695 1.00 0.00 C ATOM 3 C MET A 1 -10.436 7.172 9.399 1.00 0.00 C ATOM 4 O MET A 1 -10.099 6.420 10.326 1.00 0.00 O ATOM 5 CB MET A 1 -10.055 9.685 9.561 1.00 0.00 C ATOM 6 CG MET A 1 -9.470 9.870 8.144 1.00 0.00 C ATOM 7 SD MET A 1 -8.083 11.030 8.080 1.00 0.00 S ATOM 8 CE MET A 1 -8.842 12.551 8.646 1.00 0.00 C ATOM 0 H1 MET A 1 -11.515 9.429 11.519 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.710 8.347 10.987 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.248 7.755 11.617 1.00 0.00 H new ATOM 0 HA MET A 1 -11.887 8.702 8.967 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.529 10.618 9.868 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.236 9.500 10.256 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.141 8.902 7.766 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.258 10.221 7.478 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.141 13.376 8.521 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.742 12.748 8.063 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.106 12.456 9.699 1.00 0.00 H new ATOM 18 N TYR A 2 -10.284 6.851 8.099 1.00 0.00 N ATOM 19 CA TYR A 2 -9.473 5.709 7.650 1.00 0.00 C ATOM 20 C TYR A 2 -7.969 5.935 7.945 1.00 0.00 C ATOM 21 O TYR A 2 -7.536 7.059 8.236 1.00 0.00 O ATOM 22 CB TYR A 2 -9.732 5.406 6.162 1.00 0.00 C ATOM 23 CG TYR A 2 -9.664 6.600 5.187 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.457 7.227 4.880 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.809 7.072 4.539 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.396 8.267 3.980 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.746 8.104 3.631 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.538 8.695 3.357 1.00 0.00 C ATOM 29 OH TYR A 2 -9.472 9.703 2.437 1.00 0.00 O ATOM 0 H TYR A 2 -10.718 7.374 7.338 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.777 4.831 8.219 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -9.008 4.660 5.836 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.719 4.952 6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.550 6.889 5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.764 6.617 4.756 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.451 8.744 3.766 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.643 8.447 3.136 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.369 9.886 2.088 1.00 0.00 H new ATOM 39 N LYS A 3 -7.181 4.857 7.818 1.00 0.00 N ATOM 40 CA LYS A 3 -5.803 4.799 8.338 1.00 0.00 C ATOM 41 C LYS A 3 -5.052 3.568 7.800 1.00 0.00 C ATOM 42 O LYS A 3 -5.586 2.806 6.984 1.00 0.00 O ATOM 43 CB LYS A 3 -5.783 4.845 9.918 1.00 0.00 C ATOM 44 CG LYS A 3 -6.952 4.152 10.673 1.00 0.00 C ATOM 45 CD LYS A 3 -7.177 2.676 10.279 1.00 0.00 C ATOM 46 CE LYS A 3 -8.209 1.985 11.180 1.00 0.00 C ATOM 47 NZ LYS A 3 -8.704 0.732 10.595 1.00 0.00 N ATOM 0 H LYS A 3 -7.479 4.000 7.352 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.278 5.684 7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.850 4.393 10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.759 5.891 10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.759 4.204 11.744 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.870 4.709 10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.511 2.625 9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.230 2.139 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.760 1.778 12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.047 2.660 11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.977 0.078 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.531 0.931 9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.955 0.299 10.018 1.00 0.00 H new ATOM 61 N PHE A 4 -3.817 3.383 8.299 1.00 0.00 N ATOM 62 CA PHE A 4 -2.960 2.245 7.956 1.00 0.00 C ATOM 63 C PHE A 4 -2.966 1.253 9.125 1.00 0.00 C ATOM 64 O PHE A 4 -2.619 1.609 10.249 1.00 0.00 O ATOM 65 CB PHE A 4 -1.511 2.705 7.651 1.00 0.00 C ATOM 66 CG PHE A 4 -1.354 3.434 6.319 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.675 4.787 6.197 1.00 0.00 C ATOM 68 CD2 PHE A 4 -0.887 2.761 5.188 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.532 5.438 4.990 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.745 3.416 3.980 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.067 4.752 3.882 1.00 0.00 C ATOM 0 H PHE A 4 -3.385 4.030 8.959 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.348 1.766 7.057 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.173 3.361 8.453 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.856 1.833 7.655 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.039 5.330 7.057 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.633 1.714 5.259 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.783 6.485 4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.382 2.882 3.114 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.956 5.265 2.938 1.00 0.00 H new ATOM 81 N GLU A 5 -3.380 0.022 8.838 1.00 0.00 N ATOM 82 CA GLU A 5 -3.386 -1.076 9.805 1.00 0.00 C ATOM 83 C GLU A 5 -2.108 -1.894 9.610 1.00 0.00 C ATOM 84 O GLU A 5 -1.945 -2.547 8.564 1.00 0.00 O ATOM 85 CB GLU A 5 -4.641 -1.973 9.618 1.00 0.00 C ATOM 86 CG GLU A 5 -5.982 -1.333 10.011 1.00 0.00 C ATOM 87 CD GLU A 5 -7.196 -2.284 9.871 1.00 0.00 C ATOM 88 OE1 GLU A 5 -7.035 -3.522 9.965 1.00 0.00 O ATOM 89 OE2 GLU A 5 -8.323 -1.795 9.700 1.00 0.00 O ATOM 0 H GLU A 5 -3.725 -0.246 7.916 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.421 -0.673 10.817 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.696 -2.275 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.507 -2.881 10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.920 -0.988 11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.149 -0.453 9.390 1.00 0.00 H new ATOM 96 N ILE A 6 -1.201 -1.859 10.606 1.00 0.00 N ATOM 97 CA ILE A 6 0.063 -2.595 10.555 1.00 0.00 C ATOM 98 C ILE A 6 -0.082 -3.834 11.427 1.00 0.00 C ATOM 99 O ILE A 6 -0.324 -3.732 12.627 1.00 0.00 O ATOM 100 CB ILE A 6 1.287 -1.774 11.089 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.296 -0.335 10.500 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.613 -2.523 10.762 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.250 0.610 11.198 1.00 0.00 C ATOM 0 H ILE A 6 -1.330 -1.320 11.462 1.00 0.00 H new ATOM 0 HA ILE A 6 0.259 -2.829 9.509 1.00 0.00 H new ATOM 0 HB ILE A 6 1.198 -1.682 12.171 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.561 -0.387 9.444 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.288 0.076 10.556 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.459 -1.946 11.136 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.604 -3.504 11.238 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.706 -2.644 9.683 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.197 1.592 10.729 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.974 0.695 12.249 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.266 0.224 11.120 1.00 0.00 H new ATOM 115 N TYR A 7 0.069 -4.978 10.828 1.00 0.00 N ATOM 116 CA TYR A 7 0.033 -6.261 11.520 1.00 0.00 C ATOM 117 C TYR A 7 1.220 -7.084 11.042 1.00 0.00 C ATOM 118 O TYR A 7 2.073 -6.568 10.329 1.00 0.00 O ATOM 119 CB TYR A 7 -1.324 -6.957 11.287 1.00 0.00 C ATOM 120 CG TYR A 7 -1.711 -7.146 9.815 1.00 0.00 C ATOM 121 CD1 TYR A 7 -2.261 -6.092 9.076 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.534 -8.370 9.173 1.00 0.00 C ATOM 123 CE1 TYR A 7 -2.618 -6.257 7.763 1.00 0.00 C ATOM 124 CE2 TYR A 7 -1.891 -8.536 7.852 1.00 0.00 C ATOM 125 CZ TYR A 7 -2.435 -7.476 7.155 1.00 0.00 C ATOM 126 OH TYR A 7 -2.811 -7.641 5.849 1.00 0.00 O ATOM 0 H TYR A 7 0.225 -5.062 9.823 1.00 0.00 H new ATOM 0 HA TYR A 7 0.119 -6.132 12.599 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.302 -7.934 11.770 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.103 -6.376 11.780 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.407 -5.132 9.549 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.111 -9.201 9.718 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.041 -5.433 7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.746 -9.489 7.365 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.615 -8.558 5.566 1.00 0.00 H new ATOM 136 N GLN A 8 1.339 -8.326 11.497 1.00 0.00 N ATOM 137 CA GLN A 8 2.333 -9.259 10.938 1.00 0.00 C ATOM 138 C GLN A 8 1.633 -10.539 10.460 1.00 0.00 C ATOM 139 O GLN A 8 0.601 -10.932 11.005 1.00 0.00 O ATOM 140 CB GLN A 8 3.483 -9.553 11.958 1.00 0.00 C ATOM 141 CG GLN A 8 3.270 -10.744 12.911 1.00 0.00 C ATOM 142 CD GLN A 8 4.369 -10.907 13.972 1.00 0.00 C ATOM 143 OE1 GLN A 8 4.114 -11.370 15.084 1.00 0.00 O ATOM 144 NE2 GLN A 8 5.614 -10.567 13.632 1.00 0.00 N ATOM 0 H GLN A 8 0.768 -8.716 12.246 1.00 0.00 H new ATOM 0 HA GLN A 8 2.808 -8.793 10.075 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.401 -9.726 11.396 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.641 -8.658 12.560 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.310 -10.625 13.414 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.210 -11.659 12.322 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.803 -10.185 12.705 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.376 -10.689 14.299 1.00 0.00 H new ATOM 153 N ASP A 9 2.188 -11.161 9.414 1.00 0.00 N ATOM 154 CA ASP A 9 1.676 -12.417 8.855 1.00 0.00 C ATOM 155 C ASP A 9 2.449 -13.607 9.443 1.00 0.00 C ATOM 156 O ASP A 9 3.480 -13.395 10.108 1.00 0.00 O ATOM 157 CB ASP A 9 1.790 -12.399 7.301 1.00 0.00 C ATOM 158 CG ASP A 9 3.156 -12.880 6.756 1.00 0.00 C ATOM 159 OD1 ASP A 9 4.189 -12.247 7.060 1.00 0.00 O ATOM 160 OD2 ASP A 9 3.198 -13.916 6.061 1.00 0.00 O ATOM 0 H ASP A 9 3.011 -10.804 8.928 1.00 0.00 H new ATOM 0 HA ASP A 9 0.624 -12.523 9.120 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.004 -13.028 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.608 -11.384 6.947 1.00 0.00 H new ATOM 165 N LYS A 10 1.968 -14.829 9.091 1.00 0.00 N ATOM 166 CA LYS A 10 2.516 -16.145 9.508 1.00 0.00 C ATOM 167 C LYS A 10 4.060 -16.252 9.403 1.00 0.00 C ATOM 168 O LYS A 10 4.692 -16.927 10.218 1.00 0.00 O ATOM 169 CB LYS A 10 1.795 -17.299 8.731 1.00 0.00 C ATOM 170 CG LYS A 10 1.742 -17.173 7.171 1.00 0.00 C ATOM 171 CD LYS A 10 3.047 -17.589 6.443 1.00 0.00 C ATOM 172 CE LYS A 10 3.421 -19.066 6.674 1.00 0.00 C ATOM 173 NZ LYS A 10 4.720 -19.417 6.039 1.00 0.00 N ATOM 0 H LYS A 10 1.154 -14.926 8.484 1.00 0.00 H new ATOM 0 HA LYS A 10 2.306 -16.247 10.573 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.291 -18.237 8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.772 -17.371 9.101 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.922 -17.787 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.510 -16.140 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.932 -17.412 5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.865 -16.955 6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.476 -19.263 7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.636 -19.706 6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.934 -20.419 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.661 -19.254 5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.474 -18.824 6.441 1.00 0.00 H new ATOM 187 N ALA A 11 4.643 -15.571 8.395 1.00 0.00 N ATOM 188 CA ALA A 11 6.108 -15.543 8.150 1.00 0.00 C ATOM 189 C ALA A 11 6.865 -14.697 9.205 1.00 0.00 C ATOM 190 O ALA A 11 8.092 -14.571 9.131 1.00 0.00 O ATOM 191 CB ALA A 11 6.377 -15.015 6.728 1.00 0.00 C ATOM 0 H ALA A 11 4.111 -15.020 7.721 1.00 0.00 H new ATOM 0 HA ALA A 11 6.486 -16.561 8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.451 -14.993 6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.898 -15.670 6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.972 -14.008 6.631 1.00 0.00 H new ATOM 197 N GLY A 12 6.123 -14.163 10.204 1.00 0.00 N ATOM 198 CA GLY A 12 6.648 -13.237 11.204 1.00 0.00 C ATOM 199 C GLY A 12 7.132 -11.944 10.590 1.00 0.00 C ATOM 200 O GLY A 12 8.139 -11.381 11.024 1.00 0.00 O ATOM 0 H GLY A 12 5.133 -14.373 10.329 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.872 -13.020 11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.470 -13.712 11.740 1.00 0.00 H new ATOM 204 N GLU A 13 6.400 -11.458 9.579 1.00 0.00 N ATOM 205 CA GLU A 13 6.807 -10.252 8.807 1.00 0.00 C ATOM 206 C GLU A 13 5.682 -9.236 8.815 1.00 0.00 C ATOM 207 O GLU A 13 4.527 -9.623 8.844 1.00 0.00 O ATOM 208 CB GLU A 13 7.179 -10.585 7.345 1.00 0.00 C ATOM 209 CG GLU A 13 8.378 -11.524 7.179 1.00 0.00 C ATOM 210 CD GLU A 13 8.875 -11.575 5.734 1.00 0.00 C ATOM 211 OE1 GLU A 13 9.703 -10.727 5.353 1.00 0.00 O ATOM 212 OE2 GLU A 13 8.421 -12.439 4.959 1.00 0.00 O ATOM 0 H GLU A 13 5.522 -11.873 9.268 1.00 0.00 H new ATOM 0 HA GLU A 13 7.695 -9.845 9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.314 -11.036 6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.390 -9.654 6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.189 -11.194 7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.099 -12.527 7.501 1.00 0.00 H new ATOM 219 N TYR A 14 6.013 -7.945 8.686 1.00 0.00 N ATOM 220 CA TYR A 14 5.048 -6.862 8.926 1.00 0.00 C ATOM 221 C TYR A 14 4.373 -6.491 7.608 1.00 0.00 C ATOM 222 O TYR A 14 5.036 -6.366 6.588 1.00 0.00 O ATOM 223 CB TYR A 14 5.726 -5.649 9.595 1.00 0.00 C ATOM 224 CG TYR A 14 6.211 -5.972 11.020 1.00 0.00 C ATOM 225 CD1 TYR A 14 7.412 -6.655 11.238 1.00 0.00 C ATOM 226 CD2 TYR A 14 5.468 -5.604 12.145 1.00 0.00 C ATOM 227 CE1 TYR A 14 7.861 -6.941 12.513 1.00 0.00 C ATOM 228 CE2 TYR A 14 5.916 -5.896 13.422 1.00 0.00 C ATOM 229 CZ TYR A 14 7.111 -6.559 13.599 1.00 0.00 C ATOM 230 OH TYR A 14 7.579 -6.813 14.872 1.00 0.00 O ATOM 0 H TYR A 14 6.943 -7.624 8.416 1.00 0.00 H new ATOM 0 HA TYR A 14 4.282 -7.205 9.621 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.572 -5.327 8.988 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.024 -4.816 9.631 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.003 -6.966 10.389 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.530 -5.084 12.016 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.796 -7.462 12.655 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.329 -5.604 14.280 1.00 0.00 H new ATOM 0 HH TYR A 14 6.933 -6.481 15.530 1.00 0.00 H new ATOM 240 N ARG A 15 3.037 -6.381 7.670 1.00 0.00 N ATOM 241 CA ARG A 15 2.137 -6.174 6.524 1.00 0.00 C ATOM 242 C ARG A 15 1.266 -4.932 6.784 1.00 0.00 C ATOM 243 O ARG A 15 0.809 -4.728 7.910 1.00 0.00 O ATOM 244 CB ARG A 15 1.239 -7.432 6.323 1.00 0.00 C ATOM 245 CG ARG A 15 2.018 -8.772 6.247 1.00 0.00 C ATOM 246 CD ARG A 15 3.075 -8.782 5.128 1.00 0.00 C ATOM 247 NE ARG A 15 3.940 -9.958 5.184 1.00 0.00 N ATOM 248 CZ ARG A 15 4.938 -10.225 4.329 1.00 0.00 C ATOM 249 NH1 ARG A 15 5.260 -9.371 3.358 1.00 0.00 N ATOM 250 NH2 ARG A 15 5.628 -11.343 4.484 1.00 0.00 N ATOM 0 H ARG A 15 2.534 -6.436 8.555 1.00 0.00 H new ATOM 0 HA ARG A 15 2.724 -6.018 5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.524 -7.488 7.144 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.662 -7.309 5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.506 -8.959 7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.314 -9.588 6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.575 -8.749 4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.686 -7.882 5.202 1.00 0.00 H new ATOM 0 HE ARG A 15 3.771 -10.629 5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.744 -8.497 3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.022 -9.591 2.717 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.397 -11.984 5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.391 -11.564 3.844 1.00 0.00 H new ATOM 264 N PHE A 16 1.039 -4.103 5.750 1.00 0.00 N ATOM 265 CA PHE A 16 0.133 -2.935 5.858 1.00 0.00 C ATOM 266 C PHE A 16 -1.177 -3.215 5.119 1.00 0.00 C ATOM 267 O PHE A 16 -1.227 -4.091 4.233 1.00 0.00 O ATOM 268 CB PHE A 16 0.787 -1.646 5.272 1.00 0.00 C ATOM 269 CG PHE A 16 0.799 -1.566 3.745 1.00 0.00 C ATOM 270 CD1 PHE A 16 1.544 -2.466 2.989 1.00 0.00 C ATOM 271 CD2 PHE A 16 0.030 -0.620 3.077 1.00 0.00 C ATOM 272 CE1 PHE A 16 1.531 -2.419 1.618 1.00 0.00 C ATOM 273 CE2 PHE A 16 0.015 -0.578 1.711 1.00 0.00 C ATOM 274 CZ PHE A 16 0.761 -1.474 0.983 1.00 0.00 C ATOM 0 H PHE A 16 1.467 -4.216 4.831 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.065 -2.771 6.917 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.256 -0.778 5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.814 -1.581 5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.142 -3.213 3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.560 0.087 3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.120 -3.118 1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.585 0.162 1.202 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.742 -1.435 -0.096 1.00 0.00 H new ATOM 284 N ARG A 17 -2.228 -2.484 5.514 1.00 0.00 N ATOM 285 CA ARG A 17 -3.400 -2.245 4.663 1.00 0.00 C ATOM 286 C ARG A 17 -3.939 -0.817 4.882 1.00 0.00 C ATOM 287 O ARG A 17 -4.092 -0.372 6.022 1.00 0.00 O ATOM 288 CB ARG A 17 -4.495 -3.320 4.904 1.00 0.00 C ATOM 289 CG ARG A 17 -5.075 -3.408 6.323 1.00 0.00 C ATOM 290 CD ARG A 17 -6.122 -4.527 6.445 1.00 0.00 C ATOM 291 NE ARG A 17 -5.548 -5.852 6.106 1.00 0.00 N ATOM 292 CZ ARG A 17 -6.177 -6.844 5.462 1.00 0.00 C ATOM 293 NH1 ARG A 17 -7.418 -6.699 5.016 1.00 0.00 N ATOM 294 NH2 ARG A 17 -5.546 -7.991 5.260 1.00 0.00 N ATOM 0 H ARG A 17 -2.289 -2.042 6.431 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.095 -2.330 3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.316 -3.131 4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.079 -4.294 4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.269 -3.586 7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.530 -2.454 6.589 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.515 -4.549 7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.962 -4.314 5.784 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.584 -6.024 6.390 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.912 -5.819 5.161 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.878 -7.468 4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.590 -8.113 5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.016 -8.752 4.771 1.00 0.00 H new ATOM 308 N PHE A 18 -4.217 -0.102 3.772 1.00 0.00 N ATOM 309 CA PHE A 18 -4.819 1.246 3.827 1.00 0.00 C ATOM 310 C PHE A 18 -6.326 1.093 3.608 1.00 0.00 C ATOM 311 O PHE A 18 -6.772 0.468 2.631 1.00 0.00 O ATOM 312 CB PHE A 18 -4.208 2.234 2.800 1.00 0.00 C ATOM 313 CG PHE A 18 -4.757 3.657 2.868 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.951 4.292 4.093 1.00 0.00 C ATOM 315 CD2 PHE A 18 -5.055 4.363 1.709 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.439 5.574 4.148 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.540 5.646 1.761 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.733 6.249 2.982 1.00 0.00 C ATOM 0 H PHE A 18 -4.034 -0.436 2.826 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.607 1.681 4.804 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.129 2.269 2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.378 1.843 1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.715 3.770 5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.902 3.893 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.592 6.053 5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.768 6.178 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.117 7.257 3.028 1.00 0.00 H new ATOM 328 N LYS A 19 -7.082 1.642 4.557 1.00 0.00 N ATOM 329 CA LYS A 19 -8.525 1.448 4.667 1.00 0.00 C ATOM 330 C LYS A 19 -9.322 2.587 4.011 1.00 0.00 C ATOM 331 O LYS A 19 -8.756 3.544 3.468 1.00 0.00 O ATOM 332 CB LYS A 19 -8.877 1.305 6.177 1.00 0.00 C ATOM 333 CG LYS A 19 -8.147 0.123 6.869 1.00 0.00 C ATOM 334 CD LYS A 19 -8.519 -1.236 6.215 1.00 0.00 C ATOM 335 CE LYS A 19 -10.004 -1.599 6.412 1.00 0.00 C ATOM 336 NZ LYS A 19 -10.306 -2.035 7.791 1.00 0.00 N ATOM 0 H LYS A 19 -6.700 2.246 5.285 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.807 0.544 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.622 2.231 6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.953 1.169 6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.069 0.274 6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.407 0.102 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.297 -1.195 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.896 -2.023 6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.621 -0.735 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.275 -2.393 5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.467 -3.062 7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.505 -1.803 8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.160 -1.547 8.130 1.00 0.00 H new ATOM 350 N ALA A 20 -10.654 2.449 4.089 1.00 0.00 N ATOM 351 CA ALA A 20 -11.630 3.440 3.613 1.00 0.00 C ATOM 352 C ALA A 20 -12.649 3.705 4.731 1.00 0.00 C ATOM 353 O ALA A 20 -12.736 2.914 5.673 1.00 0.00 O ATOM 354 CB ALA A 20 -12.314 2.938 2.329 1.00 0.00 C ATOM 0 H ALA A 20 -11.093 1.623 4.496 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.128 4.376 3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.035 3.681 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.563 2.777 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.830 2.000 2.534 1.00 0.00 H new ATOM 360 N SER A 21 -13.354 4.853 4.655 1.00 0.00 N ATOM 361 CA SER A 21 -14.413 5.247 5.618 1.00 0.00 C ATOM 362 C SER A 21 -15.494 4.155 5.844 1.00 0.00 C ATOM 363 O SER A 21 -16.022 4.027 6.951 1.00 0.00 O ATOM 364 CB SER A 21 -15.068 6.562 5.143 1.00 0.00 C ATOM 365 OG SER A 21 -15.647 6.414 3.860 1.00 0.00 O ATOM 0 H SER A 21 -13.205 5.542 3.917 1.00 0.00 H new ATOM 0 HA SER A 21 -13.928 5.386 6.584 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.833 6.868 5.856 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.320 7.355 5.118 1.00 0.00 H new ATOM 0 HG SER A 21 -16.056 7.261 3.586 1.00 0.00 H new ATOM 371 N ASN A 22 -15.791 3.357 4.796 1.00 0.00 N ATOM 372 CA ASN A 22 -16.789 2.254 4.871 1.00 0.00 C ATOM 373 C ASN A 22 -16.203 1.002 5.573 1.00 0.00 C ATOM 374 O ASN A 22 -16.925 0.048 5.863 1.00 0.00 O ATOM 375 CB ASN A 22 -17.281 1.897 3.441 1.00 0.00 C ATOM 376 CG ASN A 22 -18.500 0.958 3.396 1.00 0.00 C ATOM 377 OD1 ASN A 22 -19.646 1.406 3.407 1.00 0.00 O ATOM 378 ND2 ASN A 22 -18.266 -0.346 3.340 1.00 0.00 N ATOM 0 H ASN A 22 -15.353 3.453 3.880 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.634 2.597 5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.530 2.819 2.916 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.461 1.432 2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -19.045 -1.003 3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.307 -0.692 3.332 1.00 0.00 H new ATOM 385 N GLY A 23 -14.893 1.029 5.879 1.00 0.00 N ATOM 386 CA GLY A 23 -14.167 -0.140 6.388 1.00 0.00 C ATOM 387 C GLY A 23 -13.633 -1.031 5.273 1.00 0.00 C ATOM 388 O GLY A 23 -13.216 -2.158 5.525 1.00 0.00 O ATOM 0 H GLY A 23 -14.313 1.862 5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.336 0.195 7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.829 -0.723 7.028 1.00 0.00 H new ATOM 392 N GLU A 24 -13.663 -0.508 4.034 1.00 0.00 N ATOM 393 CA GLU A 24 -13.095 -1.179 2.846 1.00 0.00 C ATOM 394 C GLU A 24 -11.565 -1.074 2.853 1.00 0.00 C ATOM 395 O GLU A 24 -11.004 -0.278 3.603 1.00 0.00 O ATOM 396 CB GLU A 24 -13.676 -0.543 1.557 1.00 0.00 C ATOM 397 CG GLU A 24 -15.209 -0.614 1.449 1.00 0.00 C ATOM 398 CD GLU A 24 -15.773 -2.047 1.530 1.00 0.00 C ATOM 399 OE1 GLU A 24 -15.736 -2.768 0.512 1.00 0.00 O ATOM 400 OE2 GLU A 24 -16.249 -2.453 2.613 1.00 0.00 O ATOM 0 H GLU A 24 -14.084 0.397 3.825 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.365 -2.235 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.369 0.502 1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.239 -1.042 0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.648 -0.015 2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.519 -0.164 0.506 1.00 0.00 H new ATOM 407 N THR A 25 -10.898 -1.890 2.029 1.00 0.00 N ATOM 408 CA THR A 25 -9.438 -1.853 1.871 1.00 0.00 C ATOM 409 C THR A 25 -9.105 -1.763 0.376 1.00 0.00 C ATOM 410 O THR A 25 -9.532 -2.601 -0.420 1.00 0.00 O ATOM 411 CB THR A 25 -8.747 -3.107 2.508 1.00 0.00 C ATOM 412 OG1 THR A 25 -9.219 -3.308 3.846 1.00 0.00 O ATOM 413 CG2 THR A 25 -7.220 -2.978 2.523 1.00 0.00 C ATOM 0 H THR A 25 -11.355 -2.596 1.452 1.00 0.00 H new ATOM 0 HA THR A 25 -9.055 -0.978 2.396 1.00 0.00 H new ATOM 0 HB THR A 25 -9.008 -3.965 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.781 -4.095 4.232 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.784 -3.870 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.854 -2.871 1.502 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.935 -2.101 3.105 1.00 0.00 H new ATOM 421 N MET A 26 -8.340 -0.732 0.024 1.00 0.00 N ATOM 422 CA MET A 26 -8.021 -0.391 -1.373 1.00 0.00 C ATOM 423 C MET A 26 -6.624 -0.907 -1.779 1.00 0.00 C ATOM 424 O MET A 26 -6.328 -0.977 -2.975 1.00 0.00 O ATOM 425 CB MET A 26 -8.215 1.134 -1.606 1.00 0.00 C ATOM 426 CG MET A 26 -7.766 2.026 -0.450 1.00 0.00 C ATOM 427 SD MET A 26 -6.022 1.851 -0.079 1.00 0.00 S ATOM 428 CE MET A 26 -5.316 2.480 -1.586 1.00 0.00 C ATOM 0 H MET A 26 -7.917 -0.099 0.703 1.00 0.00 H new ATOM 0 HA MET A 26 -8.718 -0.904 -2.035 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.665 1.422 -2.502 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.270 1.325 -1.804 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.978 3.067 -0.696 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.349 1.783 0.439 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.321 2.057 -1.726 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.950 2.203 -2.428 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.244 3.566 -1.528 1.00 0.00 H new ATOM 438 N PHE A 27 -5.775 -1.257 -0.778 1.00 0.00 N ATOM 439 CA PHE A 27 -4.596 -2.122 -0.995 1.00 0.00 C ATOM 440 C PHE A 27 -4.014 -2.664 0.321 1.00 0.00 C ATOM 441 O PHE A 27 -4.312 -2.157 1.414 1.00 0.00 O ATOM 442 CB PHE A 27 -3.491 -1.466 -1.897 1.00 0.00 C ATOM 443 CG PHE A 27 -2.686 -0.257 -1.406 1.00 0.00 C ATOM 444 CD1 PHE A 27 -3.012 0.468 -0.270 1.00 0.00 C ATOM 445 CD2 PHE A 27 -1.591 0.179 -2.161 1.00 0.00 C ATOM 446 CE1 PHE A 27 -2.272 1.579 0.100 1.00 0.00 C ATOM 447 CE2 PHE A 27 -0.871 1.285 -1.795 1.00 0.00 C ATOM 448 CZ PHE A 27 -1.209 1.989 -0.665 1.00 0.00 C ATOM 0 H PHE A 27 -5.890 -0.950 0.188 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.970 -2.977 -1.558 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.773 -2.249 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.973 -1.171 -2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.854 0.163 0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.309 -0.367 -3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.533 2.125 0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.034 1.605 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.640 2.862 -0.380 1.00 0.00 H new ATOM 458 N SER A 28 -3.157 -3.679 0.163 1.00 0.00 N ATOM 459 CA SER A 28 -2.549 -4.448 1.259 1.00 0.00 C ATOM 460 C SER A 28 -1.552 -5.433 0.673 1.00 0.00 C ATOM 461 O SER A 28 -1.859 -6.000 -0.386 1.00 0.00 O ATOM 462 CB SER A 28 -3.639 -5.223 2.055 1.00 0.00 C ATOM 463 OG SER A 28 -4.448 -6.024 1.204 1.00 0.00 O ATOM 0 H SER A 28 -2.857 -3.999 -0.758 1.00 0.00 H new ATOM 0 HA SER A 28 -2.046 -3.762 1.941 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.161 -5.856 2.803 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.269 -4.514 2.593 1.00 0.00 H new ATOM 0 HG SER A 28 -5.119 -6.496 1.740 1.00 0.00 H new ATOM 469 N SER A 29 -0.424 -5.701 1.403 1.00 0.00 N ATOM 470 CA SER A 29 0.620 -6.663 0.978 1.00 0.00 C ATOM 471 C SER A 29 1.906 -6.516 1.817 1.00 0.00 C ATOM 472 O SER A 29 1.983 -7.068 2.902 1.00 0.00 O ATOM 473 CB SER A 29 0.949 -6.605 -0.532 1.00 0.00 C ATOM 474 OG SER A 29 1.240 -5.276 -0.910 1.00 0.00 O ATOM 0 H SER A 29 -0.223 -5.253 2.297 1.00 0.00 H new ATOM 0 HA SER A 29 0.190 -7.647 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.800 -7.250 -0.753 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.106 -6.981 -1.111 1.00 0.00 H new ATOM 0 HG SER A 29 0.430 -4.729 -0.833 1.00 0.00 H new ATOM 480 N GLU A 30 2.873 -5.716 1.329 1.00 0.00 N ATOM 481 CA GLU A 30 4.294 -5.823 1.714 1.00 0.00 C ATOM 482 C GLU A 30 4.567 -5.513 3.207 1.00 0.00 C ATOM 483 O GLU A 30 5.186 -6.323 3.890 1.00 0.00 O ATOM 484 CB GLU A 30 5.156 -4.903 0.806 1.00 0.00 C ATOM 485 CG GLU A 30 6.686 -5.073 0.936 1.00 0.00 C ATOM 486 CD GLU A 30 7.217 -6.463 0.528 1.00 0.00 C ATOM 487 OE1 GLU A 30 7.291 -7.370 1.387 1.00 0.00 O ATOM 488 OE2 GLU A 30 7.573 -6.654 -0.658 1.00 0.00 O ATOM 0 H GLU A 30 2.690 -4.974 0.654 1.00 0.00 H new ATOM 0 HA GLU A 30 4.574 -6.867 1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.876 -5.083 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.904 -3.866 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.175 -4.317 0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.973 -4.878 1.969 1.00 0.00 H new ATOM 495 N GLY A 31 4.126 -4.322 3.679 1.00 0.00 N ATOM 496 CA GLY A 31 4.528 -3.768 5.005 1.00 0.00 C ATOM 497 C GLY A 31 6.023 -3.431 5.120 1.00 0.00 C ATOM 498 O GLY A 31 6.525 -3.173 6.221 1.00 0.00 O ATOM 0 H GLY A 31 3.487 -3.719 3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.948 -2.866 5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.269 -4.488 5.781 1.00 0.00 H new ATOM 502 N TYR A 32 6.687 -3.467 3.954 1.00 0.00 N ATOM 503 CA TYR A 32 8.123 -3.245 3.757 1.00 0.00 C ATOM 504 C TYR A 32 8.931 -4.435 4.321 1.00 0.00 C ATOM 505 O TYR A 32 9.412 -5.260 3.547 1.00 0.00 O ATOM 506 CB TYR A 32 8.621 -1.885 4.311 1.00 0.00 C ATOM 507 CG TYR A 32 10.053 -1.556 3.851 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.298 -1.107 2.548 1.00 0.00 C ATOM 509 CD2 TYR A 32 11.153 -1.720 4.692 1.00 0.00 C ATOM 510 CE1 TYR A 32 11.578 -0.827 2.112 1.00 0.00 C ATOM 511 CE2 TYR A 32 12.435 -1.440 4.261 1.00 0.00 C ATOM 512 CZ TYR A 32 12.643 -0.996 2.972 1.00 0.00 C ATOM 513 OH TYR A 32 13.919 -0.721 2.535 1.00 0.00 O ATOM 0 H TYR A 32 6.207 -3.663 3.076 1.00 0.00 H new ATOM 0 HA TYR A 32 8.293 -3.189 2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 32 7.946 -1.093 3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.587 -1.905 5.400 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.468 -0.977 1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.999 -2.073 5.701 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.744 -0.478 1.104 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.272 -1.568 4.931 1.00 0.00 H new ATOM 0 HH TYR A 32 14.556 -0.889 3.260 1.00 0.00 H new ATOM 523 N LYS A 33 9.054 -4.532 5.669 1.00 0.00 N ATOM 524 CA LYS A 33 9.808 -5.622 6.332 1.00 0.00 C ATOM 525 C LYS A 33 9.526 -5.655 7.851 1.00 0.00 C ATOM 526 O LYS A 33 8.718 -6.462 8.311 1.00 0.00 O ATOM 527 CB LYS A 33 11.343 -5.485 6.061 1.00 0.00 C ATOM 528 CG LYS A 33 12.214 -6.644 6.602 1.00 0.00 C ATOM 529 CD LYS A 33 11.939 -7.983 5.879 1.00 0.00 C ATOM 530 CE LYS A 33 12.794 -9.145 6.423 1.00 0.00 C ATOM 531 NZ LYS A 33 12.615 -10.386 5.625 1.00 0.00 N ATOM 0 H LYS A 33 8.638 -3.865 6.319 1.00 0.00 H new ATOM 0 HA LYS A 33 9.467 -6.565 5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.500 -5.405 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.692 -4.552 6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.267 -6.385 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.027 -6.766 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.884 -8.236 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.135 -7.862 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.845 -8.857 6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.524 -9.339 7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.054 -11.186 6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.600 -10.573 5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.066 -10.269 4.695 1.00 0.00 H new ATOM 545 N ALA A 34 10.196 -4.760 8.612 1.00 0.00 N ATOM 546 CA ALA A 34 10.196 -4.761 10.105 1.00 0.00 C ATOM 547 C ALA A 34 9.399 -3.562 10.620 1.00 0.00 C ATOM 548 O ALA A 34 9.155 -2.655 9.839 1.00 0.00 O ATOM 549 CB ALA A 34 11.635 -4.722 10.618 1.00 0.00 C ATOM 0 H ALA A 34 10.758 -4.009 8.211 1.00 0.00 H new ATOM 0 HA ALA A 34 9.724 -5.672 10.473 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.633 -4.723 11.708 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.174 -5.597 10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.126 -3.818 10.257 1.00 0.00 H new ATOM 555 N LYS A 35 9.015 -3.523 11.929 1.00 0.00 N ATOM 556 CA LYS A 35 8.100 -2.476 12.455 1.00 0.00 C ATOM 557 C LYS A 35 8.677 -1.059 12.320 1.00 0.00 C ATOM 558 O LYS A 35 7.988 -0.165 11.846 1.00 0.00 O ATOM 559 CB LYS A 35 7.654 -2.736 13.929 1.00 0.00 C ATOM 560 CG LYS A 35 8.726 -2.727 15.051 1.00 0.00 C ATOM 561 CD LYS A 35 9.548 -4.031 15.105 1.00 0.00 C ATOM 562 CE LYS A 35 10.479 -4.109 16.326 1.00 0.00 C ATOM 563 NZ LYS A 35 11.264 -5.370 16.353 1.00 0.00 N ATOM 0 H LYS A 35 9.323 -4.198 12.629 1.00 0.00 H new ATOM 0 HA LYS A 35 7.213 -2.541 11.824 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.905 -1.986 14.183 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.157 -3.706 13.956 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.400 -1.885 14.896 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.237 -2.571 16.013 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.867 -4.882 15.120 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.143 -4.116 14.196 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.161 -3.259 16.316 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.887 -4.032 17.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.877 -5.379 17.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.615 -6.182 16.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.850 -5.433 15.496 1.00 0.00 H new ATOM 577 N ALA A 36 9.940 -0.870 12.727 1.00 0.00 N ATOM 578 CA ALA A 36 10.625 0.437 12.631 1.00 0.00 C ATOM 579 C ALA A 36 10.564 0.985 11.194 1.00 0.00 C ATOM 580 O ALA A 36 10.148 2.120 10.960 1.00 0.00 O ATOM 581 CB ALA A 36 12.077 0.316 13.106 1.00 0.00 C ATOM 0 H ALA A 36 10.516 -1.609 13.130 1.00 0.00 H new ATOM 0 HA ALA A 36 10.108 1.143 13.281 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.567 1.287 13.029 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.094 -0.018 14.144 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.604 -0.407 12.484 1.00 0.00 H new ATOM 587 N SER A 37 10.898 0.110 10.238 1.00 0.00 N ATOM 588 CA SER A 37 10.917 0.435 8.806 1.00 0.00 C ATOM 589 C SER A 37 9.487 0.523 8.232 1.00 0.00 C ATOM 590 O SER A 37 9.268 1.181 7.213 1.00 0.00 O ATOM 591 CB SER A 37 11.739 -0.636 8.062 1.00 0.00 C ATOM 592 OG SER A 37 13.050 -0.745 8.600 1.00 0.00 O ATOM 0 H SER A 37 11.166 -0.854 10.439 1.00 0.00 H new ATOM 0 HA SER A 37 11.379 1.413 8.669 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.234 -1.599 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.798 -0.383 7.003 1.00 0.00 H new ATOM 0 HG SER A 37 13.548 -1.432 8.111 1.00 0.00 H new ATOM 598 N ALA A 38 8.536 -0.161 8.898 1.00 0.00 N ATOM 599 CA ALA A 38 7.119 -0.176 8.504 1.00 0.00 C ATOM 600 C ALA A 38 6.501 1.212 8.702 1.00 0.00 C ATOM 601 O ALA A 38 5.958 1.792 7.760 1.00 0.00 O ATOM 602 CB ALA A 38 6.344 -1.252 9.287 1.00 0.00 C ATOM 0 H ALA A 38 8.733 -0.720 9.728 1.00 0.00 H new ATOM 0 HA ALA A 38 7.053 -0.430 7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.299 -1.244 8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.775 -2.232 9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.409 -1.043 10.355 1.00 0.00 H new ATOM 608 N ILE A 39 6.599 1.741 9.938 1.00 0.00 N ATOM 609 CA ILE A 39 6.124 3.093 10.272 1.00 0.00 C ATOM 610 C ILE A 39 6.839 4.140 9.404 1.00 0.00 C ATOM 611 O ILE A 39 6.173 4.988 8.828 1.00 0.00 O ATOM 612 CB ILE A 39 6.295 3.440 11.815 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.255 2.664 12.700 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.176 4.965 12.082 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.459 1.168 12.801 1.00 0.00 C ATOM 0 H ILE A 39 7.009 1.243 10.728 1.00 0.00 H new ATOM 0 HA ILE A 39 5.055 3.116 10.059 1.00 0.00 H new ATOM 0 HB ILE A 39 7.299 3.120 12.093 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.279 3.083 13.706 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.258 2.849 12.301 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.299 5.158 13.148 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.950 5.493 11.526 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.195 5.315 11.760 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.685 0.737 13.436 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.401 0.725 11.807 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.438 0.963 13.234 1.00 0.00 H new ATOM 627 N HIS A 40 8.187 4.038 9.299 1.00 0.00 N ATOM 628 CA HIS A 40 9.009 4.987 8.500 1.00 0.00 C ATOM 629 C HIS A 40 8.535 5.065 7.039 1.00 0.00 C ATOM 630 O HIS A 40 8.489 6.166 6.446 1.00 0.00 O ATOM 631 CB HIS A 40 10.527 4.649 8.593 1.00 0.00 C ATOM 632 CG HIS A 40 11.201 5.252 9.806 1.00 0.00 C ATOM 633 ND1 HIS A 40 12.093 6.300 9.722 1.00 0.00 N ATOM 634 CD2 HIS A 40 11.062 5.000 11.131 1.00 0.00 C ATOM 635 CE1 HIS A 40 12.483 6.643 10.924 1.00 0.00 C ATOM 636 NE2 HIS A 40 11.870 5.883 11.803 1.00 0.00 N ATOM 0 H HIS A 40 8.731 3.307 9.758 1.00 0.00 H new ATOM 0 HA HIS A 40 8.869 5.977 8.935 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.650 3.566 8.618 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.027 5.006 7.693 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.432 4.244 11.576 1.00 0.00 H new ATOM 0 HE1 HIS A 40 13.193 7.423 11.155 1.00 0.00 H new ATOM 0 HE2 HIS A 40 11.977 5.940 12.816 1.00 0.00 H new ATOM 645 N ALA A 41 8.135 3.907 6.473 1.00 0.00 N ATOM 646 CA ALA A 41 7.521 3.848 5.146 1.00 0.00 C ATOM 647 C ALA A 41 6.235 4.676 5.138 1.00 0.00 C ATOM 648 O ALA A 41 6.103 5.619 4.372 1.00 0.00 O ATOM 649 CB ALA A 41 7.239 2.387 4.740 1.00 0.00 C ATOM 0 H ALA A 41 8.231 2.998 6.925 1.00 0.00 H new ATOM 0 HA ALA A 41 8.213 4.267 4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.783 2.366 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.174 1.828 4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.560 1.933 5.462 1.00 0.00 H new ATOM 655 N ILE A 42 5.333 4.369 6.065 1.00 0.00 N ATOM 656 CA ILE A 42 4.051 5.075 6.194 1.00 0.00 C ATOM 657 C ILE A 42 4.250 6.584 6.496 1.00 0.00 C ATOM 658 O ILE A 42 3.402 7.406 6.145 1.00 0.00 O ATOM 659 CB ILE A 42 3.157 4.367 7.268 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.932 2.873 6.839 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.805 5.093 7.463 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.318 1.990 7.893 1.00 0.00 C ATOM 0 H ILE A 42 5.465 3.625 6.750 1.00 0.00 H new ATOM 0 HA ILE A 42 3.532 5.027 5.237 1.00 0.00 H new ATOM 0 HB ILE A 42 3.672 4.402 8.228 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.292 2.857 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.891 2.448 6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.216 4.569 8.216 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.986 6.117 7.791 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.259 5.105 6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.204 0.980 7.500 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.965 1.967 8.770 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.341 2.383 8.173 1.00 0.00 H new ATOM 674 N GLU A 43 5.421 6.954 7.044 1.00 0.00 N ATOM 675 CA GLU A 43 5.726 8.360 7.343 1.00 0.00 C ATOM 676 C GLU A 43 5.889 9.136 6.034 1.00 0.00 C ATOM 677 O GLU A 43 5.476 10.292 5.962 1.00 0.00 O ATOM 678 CB GLU A 43 6.974 8.521 8.247 1.00 0.00 C ATOM 679 CG GLU A 43 6.788 7.962 9.674 1.00 0.00 C ATOM 680 CD GLU A 43 7.921 8.332 10.636 1.00 0.00 C ATOM 681 OE1 GLU A 43 8.979 7.668 10.620 1.00 0.00 O ATOM 682 OE2 GLU A 43 7.771 9.308 11.408 1.00 0.00 O ATOM 0 H GLU A 43 6.166 6.301 7.287 1.00 0.00 H new ATOM 0 HA GLU A 43 4.889 8.771 7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.819 8.017 7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.230 9.579 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.846 8.331 10.079 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.709 6.876 9.621 1.00 0.00 H new ATOM 689 N SER A 44 6.440 8.454 4.990 1.00 0.00 N ATOM 690 CA SER A 44 6.491 8.996 3.609 1.00 0.00 C ATOM 691 C SER A 44 5.107 9.398 3.100 1.00 0.00 C ATOM 692 O SER A 44 4.976 10.393 2.365 1.00 0.00 O ATOM 693 CB SER A 44 7.103 7.970 2.630 1.00 0.00 C ATOM 694 OG SER A 44 8.522 7.987 2.672 1.00 0.00 O ATOM 0 H SER A 44 6.855 7.527 5.084 1.00 0.00 H new ATOM 0 HA SER A 44 7.121 9.884 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.743 6.971 2.878 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.766 8.188 1.617 1.00 0.00 H new ATOM 0 HG SER A 44 8.875 8.053 1.760 1.00 0.00 H new ATOM 700 N ILE A 45 4.088 8.613 3.479 1.00 0.00 N ATOM 701 CA ILE A 45 2.733 8.846 2.998 1.00 0.00 C ATOM 702 C ILE A 45 2.202 10.161 3.599 1.00 0.00 C ATOM 703 O ILE A 45 1.601 10.980 2.899 1.00 0.00 O ATOM 704 CB ILE A 45 1.725 7.656 3.304 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.399 6.248 3.231 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.571 7.698 2.292 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.789 5.774 1.844 1.00 0.00 C ATOM 0 H ILE A 45 4.182 7.819 4.112 1.00 0.00 H new ATOM 0 HA ILE A 45 2.791 8.911 1.912 1.00 0.00 H new ATOM 0 HB ILE A 45 1.368 7.798 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.293 6.261 3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.718 5.517 3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.123 6.883 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.048 8.651 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.968 7.590 1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.247 4.787 1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.900 5.719 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.500 6.475 1.407 1.00 0.00 H new ATOM 719 N LYS A 46 2.498 10.364 4.899 1.00 0.00 N ATOM 720 CA LYS A 46 2.081 11.576 5.669 1.00 0.00 C ATOM 721 C LYS A 46 2.852 12.829 5.247 1.00 0.00 C ATOM 722 O LYS A 46 2.436 13.948 5.549 1.00 0.00 O ATOM 723 CB LYS A 46 2.193 11.353 7.220 1.00 0.00 C ATOM 724 CG LYS A 46 1.085 10.440 7.812 1.00 0.00 C ATOM 725 CD LYS A 46 1.155 8.995 7.267 1.00 0.00 C ATOM 726 CE LYS A 46 -0.184 8.299 7.119 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.737 7.815 8.405 1.00 0.00 N ATOM 0 H LYS A 46 3.034 9.697 5.454 1.00 0.00 H new ATOM 0 HA LYS A 46 1.031 11.741 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.166 10.916 7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.156 12.321 7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.177 10.420 8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.108 10.865 7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.647 9.013 6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.784 8.402 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.895 8.987 6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.074 7.455 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.371 7.009 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.041 7.514 9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.270 8.581 8.864 1.00 0.00 H new ATOM 741 N ARG A 47 3.963 12.622 4.545 1.00 0.00 N ATOM 742 CA ARG A 47 4.803 13.745 4.061 1.00 0.00 C ATOM 743 C ARG A 47 4.090 14.530 2.942 1.00 0.00 C ATOM 744 O ARG A 47 3.866 15.745 3.072 1.00 0.00 O ATOM 745 CB ARG A 47 6.205 13.273 3.578 1.00 0.00 C ATOM 746 CG ARG A 47 7.065 12.564 4.647 1.00 0.00 C ATOM 747 CD ARG A 47 7.164 13.344 5.970 1.00 0.00 C ATOM 748 NE ARG A 47 7.787 12.533 7.030 1.00 0.00 N ATOM 749 CZ ARG A 47 7.349 12.426 8.302 1.00 0.00 C ATOM 750 NH1 ARG A 47 6.231 13.023 8.691 1.00 0.00 N ATOM 751 NH2 ARG A 47 8.035 11.690 9.166 1.00 0.00 N ATOM 0 H ARG A 47 4.312 11.697 4.293 1.00 0.00 H new ATOM 0 HA ARG A 47 4.956 14.407 4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.072 12.596 2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.755 14.139 3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.644 11.578 4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.068 12.408 4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.747 14.252 5.815 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.168 13.654 6.286 1.00 0.00 H new ATOM 0 HE ARG A 47 8.624 12.006 6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.688 13.573 8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.914 12.932 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.885 11.212 8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.713 11.602 10.130 1.00 0.00 H new ATOM 765 N ASN A 48 3.697 13.818 1.869 1.00 0.00 N ATOM 766 CA ASN A 48 3.189 14.475 0.632 1.00 0.00 C ATOM 767 C ASN A 48 2.550 13.475 -0.363 1.00 0.00 C ATOM 768 O ASN A 48 2.353 13.807 -1.529 1.00 0.00 O ATOM 769 CB ASN A 48 4.336 15.301 -0.044 1.00 0.00 C ATOM 770 CG ASN A 48 3.878 16.237 -1.171 1.00 0.00 C ATOM 771 OD1 ASN A 48 2.788 16.792 -1.136 1.00 0.00 O ATOM 772 ND2 ASN A 48 4.715 16.417 -2.170 1.00 0.00 N ATOM 0 H ASN A 48 3.718 12.799 1.825 1.00 0.00 H new ATOM 0 HA ASN A 48 2.388 15.153 0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.836 15.895 0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.076 14.608 -0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.462 17.033 -2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.617 15.941 -2.172 1.00 0.00 H new ATOM 779 N SER A 49 2.207 12.262 0.091 1.00 0.00 N ATOM 780 CA SER A 49 1.653 11.224 -0.811 1.00 0.00 C ATOM 781 C SER A 49 0.277 11.597 -1.365 1.00 0.00 C ATOM 782 O SER A 49 -0.034 11.267 -2.507 1.00 0.00 O ATOM 783 CB SER A 49 1.562 9.882 -0.109 1.00 0.00 C ATOM 784 OG SER A 49 1.248 8.833 -1.005 1.00 0.00 O ATOM 0 H SER A 49 2.299 11.970 1.064 1.00 0.00 H new ATOM 0 HA SER A 49 2.346 11.154 -1.649 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.510 9.666 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.802 9.932 0.671 1.00 0.00 H new ATOM 0 HG SER A 49 2.062 8.542 -1.466 1.00 0.00 H new ATOM 790 N ALA A 50 -0.552 12.270 -0.549 1.00 0.00 N ATOM 791 CA ALA A 50 -1.836 12.813 -1.017 1.00 0.00 C ATOM 792 C ALA A 50 -1.626 13.875 -2.116 1.00 0.00 C ATOM 793 O ALA A 50 -2.439 14.002 -3.034 1.00 0.00 O ATOM 794 CB ALA A 50 -2.644 13.369 0.157 1.00 0.00 C ATOM 0 H ALA A 50 -0.355 12.450 0.436 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.409 12.000 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.591 13.766 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.838 12.572 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.080 14.165 0.642 1.00 0.00 H new ATOM 800 N GLY A 51 -0.498 14.592 -2.032 1.00 0.00 N ATOM 801 CA GLY A 51 -0.124 15.599 -3.027 1.00 0.00 C ATOM 802 C GLY A 51 0.781 15.044 -4.118 1.00 0.00 C ATOM 803 O GLY A 51 1.146 15.774 -5.042 1.00 0.00 O ATOM 0 H GLY A 51 0.177 14.489 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.027 16.006 -3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.381 16.426 -2.528 1.00 0.00 H new ATOM 807 N ALA A 52 1.155 13.748 -3.999 1.00 0.00 N ATOM 808 CA ALA A 52 1.988 13.053 -4.993 1.00 0.00 C ATOM 809 C ALA A 52 1.195 12.797 -6.278 1.00 0.00 C ATOM 810 O ALA A 52 -0.041 12.885 -6.290 1.00 0.00 O ATOM 811 CB ALA A 52 2.534 11.732 -4.413 1.00 0.00 C ATOM 0 H ALA A 52 0.885 13.161 -3.210 1.00 0.00 H new ATOM 0 HA ALA A 52 2.835 13.693 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.148 11.232 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.139 11.944 -3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.702 11.085 -4.135 1.00 0.00 H new ATOM 817 N ASP A 53 1.912 12.468 -7.353 1.00 0.00 N ATOM 818 CA ASP A 53 1.307 12.188 -8.667 1.00 0.00 C ATOM 819 C ASP A 53 1.052 10.674 -8.824 1.00 0.00 C ATOM 820 O ASP A 53 1.573 9.855 -8.048 1.00 0.00 O ATOM 821 CB ASP A 53 2.233 12.736 -9.788 1.00 0.00 C ATOM 822 CG ASP A 53 1.573 12.742 -11.180 1.00 0.00 C ATOM 823 OD1 ASP A 53 0.837 13.699 -11.491 1.00 0.00 O ATOM 824 OD2 ASP A 53 1.775 11.791 -11.960 1.00 0.00 O ATOM 0 H ASP A 53 2.929 12.387 -7.343 1.00 0.00 H new ATOM 0 HA ASP A 53 0.343 12.690 -8.746 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.537 13.752 -9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.140 12.133 -9.827 1.00 0.00 H new ATOM 829 N THR A 54 0.191 10.321 -9.782 1.00 0.00 N ATOM 830 CA THR A 54 -0.095 8.926 -10.149 1.00 0.00 C ATOM 831 C THR A 54 0.452 8.662 -11.567 1.00 0.00 C ATOM 832 O THR A 54 -0.144 9.080 -12.560 1.00 0.00 O ATOM 833 CB THR A 54 -1.636 8.642 -10.072 1.00 0.00 C ATOM 834 OG1 THR A 54 -2.128 9.016 -8.772 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.981 7.160 -10.340 1.00 0.00 C ATOM 0 H THR A 54 -0.334 11.001 -10.332 1.00 0.00 H new ATOM 0 HA THR A 54 0.395 8.251 -9.447 1.00 0.00 H new ATOM 0 HB THR A 54 -2.114 9.236 -10.851 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.091 8.840 -8.724 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.060 7.020 -10.274 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.639 6.881 -11.337 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.488 6.532 -9.598 1.00 0.00 H new ATOM 843 N VAL A 55 1.639 8.037 -11.629 1.00 0.00 N ATOM 844 CA VAL A 55 2.337 7.695 -12.883 1.00 0.00 C ATOM 845 C VAL A 55 2.109 6.212 -13.213 1.00 0.00 C ATOM 846 O VAL A 55 2.320 5.360 -12.351 1.00 0.00 O ATOM 847 CB VAL A 55 3.886 7.966 -12.746 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.679 7.476 -13.981 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.155 9.461 -12.482 1.00 0.00 C ATOM 0 H VAL A 55 2.151 7.749 -10.795 1.00 0.00 H new ATOM 0 HA VAL A 55 1.938 8.318 -13.684 1.00 0.00 H new ATOM 0 HB VAL A 55 4.239 7.389 -11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.739 7.685 -13.839 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.534 6.403 -14.104 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.323 7.995 -14.871 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.228 9.627 -12.391 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.766 10.053 -13.311 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.661 9.762 -11.558 1.00 0.00 H new ATOM 859 N ASP A 56 1.674 5.923 -14.452 1.00 0.00 N ATOM 860 CA ASP A 56 1.534 4.545 -14.958 1.00 0.00 C ATOM 861 C ASP A 56 2.601 4.280 -16.042 1.00 0.00 C ATOM 862 O ASP A 56 2.556 4.850 -17.137 1.00 0.00 O ATOM 863 CB ASP A 56 0.103 4.302 -15.506 1.00 0.00 C ATOM 864 CG ASP A 56 -0.232 2.811 -15.728 1.00 0.00 C ATOM 865 OD1 ASP A 56 0.456 2.146 -16.529 1.00 0.00 O ATOM 866 OD2 ASP A 56 -1.212 2.310 -15.132 1.00 0.00 O ATOM 0 H ASP A 56 1.410 6.637 -15.131 1.00 0.00 H new ATOM 0 HA ASP A 56 1.691 3.846 -14.137 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.620 4.728 -14.810 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.010 4.835 -16.450 1.00 0.00 H new ATOM 871 N LEU A 57 3.565 3.425 -15.691 1.00 0.00 N ATOM 872 CA LEU A 57 4.667 2.999 -16.564 1.00 0.00 C ATOM 873 C LEU A 57 4.219 1.990 -17.649 1.00 0.00 C ATOM 874 O LEU A 57 4.753 2.017 -18.758 1.00 0.00 O ATOM 875 CB LEU A 57 5.782 2.348 -15.698 1.00 0.00 C ATOM 876 CG LEU A 57 6.266 3.157 -14.454 1.00 0.00 C ATOM 877 CD1 LEU A 57 7.299 2.349 -13.645 1.00 0.00 C ATOM 878 CD2 LEU A 57 6.831 4.535 -14.861 1.00 0.00 C ATOM 0 H LEU A 57 3.603 2.997 -14.766 1.00 0.00 H new ATOM 0 HA LEU A 57 5.034 3.888 -17.077 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.423 1.378 -15.354 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.644 2.160 -16.338 1.00 0.00 H new ATOM 0 HG LEU A 57 5.401 3.336 -13.816 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.623 2.932 -12.783 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.846 1.418 -13.304 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.160 2.125 -14.275 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.159 5.071 -13.970 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.678 4.397 -15.533 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.056 5.111 -15.367 1.00 0.00 H new ATOM 890 N THR A 58 3.219 1.126 -17.354 1.00 0.00 N ATOM 891 CA THR A 58 2.970 -0.099 -18.162 1.00 0.00 C ATOM 892 C THR A 58 1.929 0.139 -19.267 1.00 0.00 C ATOM 893 O THR A 58 1.633 -0.759 -20.047 1.00 0.00 O ATOM 894 CB THR A 58 2.523 -1.300 -17.263 1.00 0.00 C ATOM 895 OG1 THR A 58 2.524 -2.539 -18.003 1.00 0.00 O ATOM 896 CG2 THR A 58 1.141 -1.083 -16.634 1.00 0.00 C ATOM 0 H THR A 58 2.576 1.249 -16.572 1.00 0.00 H new ATOM 0 HA THR A 58 3.919 -0.350 -18.637 1.00 0.00 H new ATOM 0 HB THR A 58 3.255 -1.360 -16.457 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.200 -2.377 -18.913 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.881 -1.946 -16.021 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.161 -0.188 -16.012 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.398 -0.960 -17.422 1.00 0.00 H new ATOM 904 N THR A 59 1.403 1.362 -19.364 1.00 0.00 N ATOM 905 CA THR A 59 0.424 1.723 -20.411 1.00 0.00 C ATOM 906 C THR A 59 1.029 2.797 -21.324 1.00 0.00 C ATOM 907 O THR A 59 0.327 3.446 -22.104 1.00 0.00 O ATOM 908 CB THR A 59 -0.940 2.165 -19.789 1.00 0.00 C ATOM 909 OG1 THR A 59 -0.773 3.326 -18.959 1.00 0.00 O ATOM 910 CG2 THR A 59 -1.552 1.029 -18.953 1.00 0.00 C ATOM 0 H THR A 59 1.635 2.127 -18.731 1.00 0.00 H new ATOM 0 HA THR A 59 0.205 0.845 -21.019 1.00 0.00 H new ATOM 0 HB THR A 59 -1.612 2.408 -20.612 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.477 4.081 -19.509 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.501 1.359 -18.530 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.721 0.160 -19.589 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.869 0.762 -18.147 1.00 0.00 H new ATOM 961 N MET B 1 9.111 15.685 -8.148 1.00 0.00 N ATOM 962 CA MET B 1 8.493 15.146 -6.914 1.00 0.00 C ATOM 963 C MET B 1 8.361 13.615 -7.013 1.00 0.00 C ATOM 964 O MET B 1 8.327 13.059 -8.119 1.00 0.00 O ATOM 965 CB MET B 1 7.103 15.805 -6.675 1.00 0.00 C ATOM 966 CG MET B 1 6.428 15.441 -5.340 1.00 0.00 C ATOM 967 SD MET B 1 4.744 16.093 -5.202 1.00 0.00 S ATOM 968 CE MET B 1 5.023 17.865 -5.222 1.00 0.00 C ATOM 0 H1 MET B 1 10.071 16.025 -7.936 1.00 0.00 H new ATOM 0 H2 MET B 1 9.161 14.936 -8.867 1.00 0.00 H new ATOM 0 H3 MET B 1 8.536 16.473 -8.508 1.00 0.00 H new ATOM 0 HA MET B 1 9.134 15.383 -6.065 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.219 16.888 -6.722 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.438 15.520 -7.490 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.402 14.356 -5.235 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.030 15.826 -4.517 1.00 0.00 H new ATOM 0 HE1 MET B 1 4.103 18.381 -4.950 1.00 0.00 H new ATOM 0 HE2 MET B 1 5.806 18.118 -4.507 1.00 0.00 H new ATOM 0 HE3 MET B 1 5.330 18.174 -6.221 1.00 0.00 H new ATOM 978 N TYR B 2 8.298 12.936 -5.843 1.00 0.00 N ATOM 979 CA TYR B 2 7.974 11.506 -5.780 1.00 0.00 C ATOM 980 C TYR B 2 6.485 11.252 -6.095 1.00 0.00 C ATOM 981 O TYR B 2 5.657 12.177 -6.077 1.00 0.00 O ATOM 982 CB TYR B 2 8.389 10.887 -4.427 1.00 0.00 C ATOM 983 CG TYR B 2 7.929 11.602 -3.134 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.579 11.791 -2.826 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.866 12.041 -2.193 1.00 0.00 C ATOM 986 CE1 TYR B 2 6.192 12.390 -1.644 1.00 0.00 C ATOM 987 CE2 TYR B 2 8.483 12.627 -1.013 1.00 0.00 C ATOM 988 CZ TYR B 2 7.150 12.800 -0.741 1.00 0.00 C ATOM 989 OH TYR B 2 6.769 13.369 0.447 1.00 0.00 O ATOM 0 H TYR B 2 8.469 13.364 -4.933 1.00 0.00 H new ATOM 0 HA TYR B 2 8.558 11.004 -6.552 1.00 0.00 H new ATOM 0 HB2 TYR B 2 8.012 9.865 -4.397 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.477 10.826 -4.407 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.825 11.462 -3.526 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.918 11.915 -2.401 1.00 0.00 H new ATOM 0 HE1 TYR B 2 5.144 12.537 -1.428 1.00 0.00 H new ATOM 0 HE2 TYR B 2 9.228 12.951 -0.301 1.00 0.00 H new ATOM 0 HH TYR B 2 6.997 14.322 0.441 1.00 0.00 H new ATOM 999 N LYS B 3 6.155 9.977 -6.336 1.00 0.00 N ATOM 1000 CA LYS B 3 4.870 9.572 -6.923 1.00 0.00 C ATOM 1001 C LYS B 3 4.687 8.046 -6.845 1.00 0.00 C ATOM 1002 O LYS B 3 5.527 7.331 -6.277 1.00 0.00 O ATOM 1003 CB LYS B 3 4.737 10.097 -8.405 1.00 0.00 C ATOM 1004 CG LYS B 3 6.009 10.016 -9.296 1.00 0.00 C ATOM 1005 CD LYS B 3 6.473 8.577 -9.624 1.00 0.00 C ATOM 1006 CE LYS B 3 7.725 8.557 -10.514 1.00 0.00 C ATOM 1007 NZ LYS B 3 8.893 9.215 -9.864 1.00 0.00 N ATOM 0 H LYS B 3 6.774 9.193 -6.129 1.00 0.00 H new ATOM 0 HA LYS B 3 4.070 10.029 -6.340 1.00 0.00 H new ATOM 0 HB2 LYS B 3 3.943 9.533 -8.895 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.414 11.137 -8.369 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.817 10.544 -10.230 1.00 0.00 H new ATOM 0 HG3 LYS B 3 6.822 10.541 -8.795 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.681 8.044 -8.696 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.666 8.042 -10.124 1.00 0.00 H new ATOM 0 HE2 LYS B 3 7.980 7.525 -10.755 1.00 0.00 H new ATOM 0 HE3 LYS B 3 7.506 9.059 -11.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.748 9.045 -10.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.721 10.238 -9.796 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.027 8.822 -8.910 1.00 0.00 H new ATOM 1021 N PHE B 4 3.588 7.567 -7.449 1.00 0.00 N ATOM 1022 CA PHE B 4 3.263 6.140 -7.541 1.00 0.00 C ATOM 1023 C PHE B 4 3.571 5.655 -8.959 1.00 0.00 C ATOM 1024 O PHE B 4 3.039 6.193 -9.931 1.00 0.00 O ATOM 1025 CB PHE B 4 1.771 5.890 -7.204 1.00 0.00 C ATOM 1026 CG PHE B 4 1.428 6.047 -5.721 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.232 7.309 -5.159 1.00 0.00 C ATOM 1028 CD2 PHE B 4 1.310 4.928 -4.891 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.928 7.446 -3.819 1.00 0.00 C ATOM 1030 CE2 PHE B 4 1.008 5.069 -3.551 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.815 6.328 -3.015 1.00 0.00 C ATOM 0 H PHE B 4 2.894 8.169 -7.892 1.00 0.00 H new ATOM 0 HA PHE B 4 3.865 5.588 -6.819 1.00 0.00 H new ATOM 0 HB2 PHE B 4 1.159 6.582 -7.782 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.502 4.883 -7.523 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.319 8.189 -5.779 1.00 0.00 H new ATOM 0 HD2 PHE B 4 1.457 3.941 -5.303 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.778 8.429 -3.398 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.923 4.195 -2.922 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.576 6.438 -1.968 1.00 0.00 H new ATOM 1041 N GLU B 5 4.436 4.651 -9.052 1.00 0.00 N ATOM 1042 CA GLU B 5 4.804 4.018 -10.317 1.00 0.00 C ATOM 1043 C GLU B 5 3.964 2.745 -10.476 1.00 0.00 C ATOM 1044 O GLU B 5 4.134 1.788 -9.701 1.00 0.00 O ATOM 1045 CB GLU B 5 6.320 3.695 -10.349 1.00 0.00 C ATOM 1046 CG GLU B 5 7.231 4.928 -10.222 1.00 0.00 C ATOM 1047 CD GLU B 5 8.701 4.644 -10.566 1.00 0.00 C ATOM 1048 OE1 GLU B 5 9.357 3.889 -9.823 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.213 5.192 -11.565 1.00 0.00 O ATOM 0 H GLU B 5 4.908 4.248 -8.243 1.00 0.00 H new ATOM 0 HA GLU B 5 4.604 4.696 -11.147 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.550 3.003 -9.539 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.551 3.181 -11.282 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.858 5.714 -10.879 1.00 0.00 H new ATOM 0 HG3 GLU B 5 7.172 5.310 -9.203 1.00 0.00 H new ATOM 1056 N ILE B 6 3.045 2.743 -11.461 1.00 0.00 N ATOM 1057 CA ILE B 6 2.162 1.602 -11.733 1.00 0.00 C ATOM 1058 C ILE B 6 2.718 0.862 -12.942 1.00 0.00 C ATOM 1059 O ILE B 6 2.820 1.419 -14.029 1.00 0.00 O ATOM 1060 CB ILE B 6 0.691 2.029 -12.073 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.152 3.059 -11.045 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.239 0.781 -12.159 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.113 3.764 -11.494 1.00 0.00 C ATOM 0 H ILE B 6 2.897 3.534 -12.088 1.00 0.00 H new ATOM 0 HA ILE B 6 2.130 0.988 -10.833 1.00 0.00 H new ATOM 0 HB ILE B 6 0.699 2.514 -13.049 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.042 2.549 -10.101 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.924 3.804 -10.852 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.254 1.099 -12.396 1.00 0.00 H new ATOM 0 HG22 ILE B 6 0.122 0.111 -12.939 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.236 0.259 -11.202 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.430 4.468 -10.725 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.920 4.303 -12.422 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.900 3.029 -11.659 1.00 0.00 H new ATOM 1075 N TYR B 7 3.065 -0.377 -12.745 1.00 0.00 N ATOM 1076 CA TYR B 7 3.555 -1.255 -13.800 1.00 0.00 C ATOM 1077 C TYR B 7 2.803 -2.575 -13.686 1.00 0.00 C ATOM 1078 O TYR B 7 1.863 -2.677 -12.904 1.00 0.00 O ATOM 1079 CB TYR B 7 5.092 -1.419 -13.694 1.00 0.00 C ATOM 1080 CG TYR B 7 5.585 -1.882 -12.312 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.707 -0.972 -11.253 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.914 -3.217 -12.063 1.00 0.00 C ATOM 1083 CE1 TYR B 7 6.134 -1.375 -10.009 1.00 0.00 C ATOM 1084 CE2 TYR B 7 6.345 -3.623 -10.813 1.00 0.00 C ATOM 1085 CZ TYR B 7 6.451 -2.697 -9.787 1.00 0.00 C ATOM 1086 OH TYR B 7 6.881 -3.103 -8.538 1.00 0.00 O ATOM 0 H TYR B 7 3.019 -0.827 -11.831 1.00 0.00 H new ATOM 0 HA TYR B 7 3.370 -0.834 -14.788 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.422 -2.138 -14.444 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.565 -0.467 -13.935 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.461 0.067 -11.417 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.831 -3.943 -12.858 1.00 0.00 H new ATOM 0 HE1 TYR B 7 6.221 -0.656 -9.208 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.598 -4.658 -10.637 1.00 0.00 H new ATOM 0 HH TYR B 7 6.606 -2.444 -7.867 1.00 0.00 H new ATOM 1096 N GLN B 8 3.142 -3.559 -14.511 1.00 0.00 N ATOM 1097 CA GLN B 8 2.624 -4.924 -14.342 1.00 0.00 C ATOM 1098 C GLN B 8 3.796 -5.914 -14.243 1.00 0.00 C ATOM 1099 O GLN B 8 4.869 -5.685 -14.808 1.00 0.00 O ATOM 1100 CB GLN B 8 1.632 -5.301 -15.494 1.00 0.00 C ATOM 1101 CG GLN B 8 2.243 -6.119 -16.647 1.00 0.00 C ATOM 1102 CD GLN B 8 1.307 -6.381 -17.823 1.00 0.00 C ATOM 1103 OE1 GLN B 8 1.763 -6.504 -18.959 1.00 0.00 O ATOM 1104 NE2 GLN B 8 0.007 -6.503 -17.569 1.00 0.00 N ATOM 0 H GLN B 8 3.772 -3.444 -15.305 1.00 0.00 H new ATOM 0 HA GLN B 8 2.055 -4.976 -13.414 1.00 0.00 H new ATOM 0 HB2 GLN B 8 0.804 -5.867 -15.067 1.00 0.00 H new ATOM 0 HB3 GLN B 8 1.212 -4.383 -15.905 1.00 0.00 H new ATOM 0 HG2 GLN B 8 3.126 -5.596 -17.015 1.00 0.00 H new ATOM 0 HG3 GLN B 8 2.582 -7.077 -16.252 1.00 0.00 H new ATOM 0 HE21 GLN B 8 -0.339 -6.395 -16.615 1.00 0.00 H new ATOM 0 HE22 GLN B 8 -0.644 -6.704 -18.328 1.00 0.00 H new ATOM 1113 N ASP B 9 3.582 -7.003 -13.498 1.00 0.00 N ATOM 1114 CA ASP B 9 4.573 -8.071 -13.323 1.00 0.00 C ATOM 1115 C ASP B 9 4.284 -9.214 -14.311 1.00 0.00 C ATOM 1116 O ASP B 9 3.212 -9.214 -14.943 1.00 0.00 O ATOM 1117 CB ASP B 9 4.546 -8.577 -11.848 1.00 0.00 C ATOM 1118 CG ASP B 9 3.537 -9.714 -11.578 1.00 0.00 C ATOM 1119 OD1 ASP B 9 2.318 -9.487 -11.709 1.00 0.00 O ATOM 1120 OD2 ASP B 9 3.964 -10.839 -11.246 1.00 0.00 O ATOM 0 H ASP B 9 2.710 -7.170 -12.996 1.00 0.00 H new ATOM 0 HA ASP B 9 5.571 -7.686 -13.532 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.544 -8.922 -11.578 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.311 -7.737 -11.194 1.00 0.00 H new ATOM 1125 N LYS B 10 5.216 -10.201 -14.331 1.00 0.00 N ATOM 1126 CA LYS B 10 5.190 -11.415 -15.183 1.00 0.00 C ATOM 1127 C LYS B 10 3.820 -12.131 -15.220 1.00 0.00 C ATOM 1128 O LYS B 10 3.444 -12.697 -16.244 1.00 0.00 O ATOM 1129 CB LYS B 10 6.347 -12.386 -14.772 1.00 0.00 C ATOM 1130 CG LYS B 10 6.505 -12.711 -13.254 1.00 0.00 C ATOM 1131 CD LYS B 10 5.464 -13.701 -12.677 1.00 0.00 C ATOM 1132 CE LYS B 10 5.458 -15.063 -13.391 1.00 0.00 C ATOM 1133 NZ LYS B 10 6.753 -15.786 -13.270 1.00 0.00 N ATOM 0 H LYS B 10 6.039 -10.170 -13.729 1.00 0.00 H new ATOM 0 HA LYS B 10 5.353 -11.081 -16.208 1.00 0.00 H new ATOM 0 HB2 LYS B 10 6.203 -13.326 -15.305 1.00 0.00 H new ATOM 0 HB3 LYS B 10 7.286 -11.960 -15.125 1.00 0.00 H new ATOM 0 HG2 LYS B 10 7.502 -13.120 -13.089 1.00 0.00 H new ATOM 0 HG3 LYS B 10 6.446 -11.779 -12.692 1.00 0.00 H new ATOM 0 HD2 LYS B 10 5.668 -13.855 -11.617 1.00 0.00 H new ATOM 0 HD3 LYS B 10 4.471 -13.256 -12.749 1.00 0.00 H new ATOM 0 HE2 LYS B 10 4.662 -15.682 -12.976 1.00 0.00 H new ATOM 0 HE3 LYS B 10 5.228 -14.913 -14.446 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 6.691 -16.696 -13.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 7.512 -15.212 -13.690 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 6.963 -15.956 -12.266 1.00 0.00 H new ATOM 1147 N ALA B 11 3.083 -12.087 -14.090 1.00 0.00 N ATOM 1148 CA ALA B 11 1.745 -12.708 -13.943 1.00 0.00 C ATOM 1149 C ALA B 11 0.653 -11.934 -14.721 1.00 0.00 C ATOM 1150 O ALA B 11 -0.518 -12.321 -14.692 1.00 0.00 O ATOM 1151 CB ALA B 11 1.381 -12.804 -12.447 1.00 0.00 C ATOM 0 H ALA B 11 3.402 -11.615 -13.244 1.00 0.00 H new ATOM 0 HA ALA B 11 1.790 -13.709 -14.373 1.00 0.00 H new ATOM 0 HB1 ALA B 11 0.397 -13.261 -12.341 1.00 0.00 H new ATOM 0 HB2 ALA B 11 2.122 -13.414 -11.931 1.00 0.00 H new ATOM 0 HB3 ALA B 11 1.366 -11.805 -12.011 1.00 0.00 H new ATOM 1157 N GLY B 12 1.064 -10.871 -15.446 1.00 0.00 N ATOM 1158 CA GLY B 12 0.155 -9.967 -16.138 1.00 0.00 C ATOM 1159 C GLY B 12 -0.746 -9.219 -15.184 1.00 0.00 C ATOM 1160 O GLY B 12 -1.918 -8.992 -15.480 1.00 0.00 O ATOM 0 H GLY B 12 2.047 -10.625 -15.561 1.00 0.00 H new ATOM 0 HA2 GLY B 12 0.733 -9.252 -16.724 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -0.455 -10.536 -16.840 1.00 0.00 H new ATOM 1164 N GLU B 13 -0.189 -8.827 -14.028 1.00 0.00 N ATOM 1165 CA GLU B 13 -0.984 -8.183 -12.948 1.00 0.00 C ATOM 1166 C GLU B 13 -0.339 -6.861 -12.560 1.00 0.00 C ATOM 1167 O GLU B 13 0.872 -6.745 -12.633 1.00 0.00 O ATOM 1168 CB GLU B 13 -1.096 -9.073 -11.695 1.00 0.00 C ATOM 1169 CG GLU B 13 -1.741 -10.446 -11.900 1.00 0.00 C ATOM 1170 CD GLU B 13 -1.935 -11.195 -10.574 1.00 0.00 C ATOM 1171 OE1 GLU B 13 -0.933 -11.688 -10.000 1.00 0.00 O ATOM 1172 OE2 GLU B 13 -3.078 -11.251 -10.070 1.00 0.00 O ATOM 0 H GLU B 13 0.801 -8.939 -13.809 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.990 -8.022 -13.337 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.095 -9.221 -11.289 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -1.669 -8.534 -10.941 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -2.706 -10.323 -12.391 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.118 -11.043 -12.566 1.00 0.00 H new ATOM 1179 N TYR B 14 -1.134 -5.903 -12.057 1.00 0.00 N ATOM 1180 CA TYR B 14 -0.672 -4.519 -11.866 1.00 0.00 C ATOM 1181 C TYR B 14 -0.102 -4.368 -10.455 1.00 0.00 C ATOM 1182 O TYR B 14 -0.697 -4.836 -9.496 1.00 0.00 O ATOM 1183 CB TYR B 14 -1.809 -3.503 -12.143 1.00 0.00 C ATOM 1184 CG TYR B 14 -2.127 -3.361 -13.640 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -2.847 -4.341 -14.326 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -1.683 -2.258 -14.370 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -3.115 -4.224 -15.678 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -1.953 -2.138 -15.716 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.665 -3.119 -16.366 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.927 -2.985 -17.710 1.00 0.00 O ATOM 0 H TYR B 14 -2.101 -6.062 -11.775 1.00 0.00 H new ATOM 0 HA TYR B 14 0.118 -4.301 -12.585 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.708 -3.817 -11.613 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.526 -2.530 -11.742 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.202 -5.209 -13.790 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.118 -1.485 -13.871 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.673 -4.994 -16.190 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -1.605 -1.273 -16.261 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.538 -2.147 -18.037 1.00 0.00 H new ATOM 1200 N ARG B 15 1.087 -3.759 -10.386 1.00 0.00 N ATOM 1201 CA ARG B 15 1.914 -3.587 -9.177 1.00 0.00 C ATOM 1202 C ARG B 15 2.196 -2.079 -8.970 1.00 0.00 C ATOM 1203 O ARG B 15 2.468 -1.367 -9.944 1.00 0.00 O ATOM 1204 CB ARG B 15 3.273 -4.350 -9.342 1.00 0.00 C ATOM 1205 CG ARG B 15 3.364 -5.861 -8.965 1.00 0.00 C ATOM 1206 CD ARG B 15 2.378 -6.806 -9.679 1.00 0.00 C ATOM 1207 NE ARG B 15 1.118 -6.990 -8.941 1.00 0.00 N ATOM 1208 CZ ARG B 15 0.466 -8.153 -8.764 1.00 0.00 C ATOM 1209 NH1 ARG B 15 0.949 -9.291 -9.237 1.00 0.00 N ATOM 1210 NH2 ARG B 15 -0.689 -8.170 -8.120 1.00 0.00 N ATOM 0 H ARG B 15 1.525 -3.350 -11.212 1.00 0.00 H new ATOM 0 HA ARG B 15 1.382 -3.991 -8.315 1.00 0.00 H new ATOM 0 HB2 ARG B 15 3.574 -4.256 -10.385 1.00 0.00 H new ATOM 0 HB3 ARG B 15 4.017 -3.821 -8.747 1.00 0.00 H new ATOM 0 HG2 ARG B 15 4.377 -6.204 -9.173 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.210 -5.955 -7.890 1.00 0.00 H new ATOM 0 HD2 ARG B 15 2.157 -6.410 -10.670 1.00 0.00 H new ATOM 0 HD3 ARG B 15 2.853 -7.776 -9.822 1.00 0.00 H new ATOM 0 HE ARG B 15 0.700 -6.158 -8.525 1.00 0.00 H new ATOM 0 HH11 ARG B 15 1.832 -9.297 -9.747 1.00 0.00 H new ATOM 0 HH12 ARG B 15 0.438 -10.162 -9.091 1.00 0.00 H new ATOM 0 HH21 ARG B 15 -1.084 -7.302 -7.758 1.00 0.00 H new ATOM 0 HH22 ARG B 15 -1.185 -9.051 -7.985 1.00 0.00 H new ATOM 1224 N PHE B 16 2.136 -1.594 -7.711 1.00 0.00 N ATOM 1225 CA PHE B 16 2.531 -0.199 -7.373 1.00 0.00 C ATOM 1226 C PHE B 16 3.909 -0.187 -6.710 1.00 0.00 C ATOM 1227 O PHE B 16 4.341 -1.200 -6.137 1.00 0.00 O ATOM 1228 CB PHE B 16 1.579 0.482 -6.347 1.00 0.00 C ATOM 1229 CG PHE B 16 0.101 0.448 -6.611 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -0.404 0.586 -7.885 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -0.792 0.307 -5.544 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -1.755 0.570 -8.091 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -2.145 0.291 -5.751 1.00 0.00 C ATOM 1234 CZ PHE B 16 -2.628 0.424 -7.022 1.00 0.00 C ATOM 0 H PHE B 16 1.820 -2.142 -6.911 1.00 0.00 H new ATOM 0 HA PHE B 16 2.505 0.339 -8.321 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.753 0.020 -5.375 1.00 0.00 H new ATOM 0 HB3 PHE B 16 1.877 1.527 -6.261 1.00 0.00 H new ATOM 0 HD1 PHE B 16 0.268 0.707 -8.722 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -0.408 0.209 -4.540 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.146 0.672 -9.093 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -2.823 0.175 -4.919 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.694 0.415 -7.196 1.00 0.00 H new ATOM 1244 N ARG B 17 4.570 0.981 -6.781 1.00 0.00 N ATOM 1245 CA ARG B 17 5.610 1.379 -5.817 1.00 0.00 C ATOM 1246 C ARG B 17 5.541 2.895 -5.538 1.00 0.00 C ATOM 1247 O ARG B 17 5.434 3.697 -6.465 1.00 0.00 O ATOM 1248 CB ARG B 17 7.015 0.956 -6.316 1.00 0.00 C ATOM 1249 CG ARG B 17 7.446 1.503 -7.684 1.00 0.00 C ATOM 1250 CD ARG B 17 8.816 0.957 -8.113 1.00 0.00 C ATOM 1251 NE ARG B 17 8.824 -0.522 -8.135 1.00 0.00 N ATOM 1252 CZ ARG B 17 9.678 -1.317 -7.483 1.00 0.00 C ATOM 1253 NH1 ARG B 17 10.678 -0.820 -6.776 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.518 -2.626 -7.554 1.00 0.00 N ATOM 0 H ARG B 17 4.398 1.676 -7.508 1.00 0.00 H new ATOM 0 HA ARG B 17 5.426 0.860 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG B 17 7.750 1.271 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG B 17 7.050 -0.133 -6.357 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.699 1.238 -8.433 1.00 0.00 H new ATOM 0 HG3 ARG B 17 7.485 2.592 -7.644 1.00 0.00 H new ATOM 0 HD2 ARG B 17 9.068 1.339 -9.102 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.584 1.316 -7.428 1.00 0.00 H new ATOM 0 HE ARG B 17 8.110 -0.979 -8.702 1.00 0.00 H new ATOM 0 HH11 ARG B 17 10.810 0.190 -6.720 1.00 0.00 H new ATOM 0 HH12 ARG B 17 11.317 -1.446 -6.287 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.751 -3.017 -8.101 1.00 0.00 H new ATOM 0 HH22 ARG B 17 10.162 -3.246 -7.062 1.00 0.00 H new ATOM 1268 N PHE B 18 5.587 3.271 -4.241 1.00 0.00 N ATOM 1269 CA PHE B 18 5.626 4.688 -3.825 1.00 0.00 C ATOM 1270 C PHE B 18 7.087 5.061 -3.571 1.00 0.00 C ATOM 1271 O PHE B 18 7.805 4.383 -2.812 1.00 0.00 O ATOM 1272 CB PHE B 18 4.748 4.999 -2.575 1.00 0.00 C ATOM 1273 CG PHE B 18 4.713 6.479 -2.164 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.597 7.487 -3.122 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.782 6.853 -0.826 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.556 8.809 -2.751 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.736 8.178 -0.452 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.626 9.156 -1.415 1.00 0.00 C ATOM 0 H PHE B 18 5.598 2.610 -3.464 1.00 0.00 H new ATOM 0 HA PHE B 18 5.199 5.290 -4.627 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.729 4.667 -2.773 1.00 0.00 H new ATOM 0 HB3 PHE B 18 5.117 4.412 -1.734 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.539 7.225 -4.168 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.873 6.091 -0.066 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.469 9.578 -3.504 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.786 8.449 0.592 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.594 10.196 -1.126 1.00 0.00 H new ATOM 1288 N LYS B 19 7.513 6.129 -4.241 1.00 0.00 N ATOM 1289 CA LYS B 19 8.909 6.549 -4.315 1.00 0.00 C ATOM 1290 C LYS B 19 9.247 7.639 -3.284 1.00 0.00 C ATOM 1291 O LYS B 19 8.394 8.082 -2.504 1.00 0.00 O ATOM 1292 CB LYS B 19 9.187 7.034 -5.767 1.00 0.00 C ATOM 1293 CG LYS B 19 8.937 5.938 -6.834 1.00 0.00 C ATOM 1294 CD LYS B 19 9.858 4.707 -6.608 1.00 0.00 C ATOM 1295 CE LYS B 19 11.334 5.006 -6.923 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.603 5.035 -8.375 1.00 0.00 N ATOM 0 H LYS B 19 6.882 6.740 -4.759 1.00 0.00 H new ATOM 0 HA LYS B 19 9.552 5.704 -4.070 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.554 7.894 -5.984 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.220 7.373 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.893 5.625 -6.799 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.113 6.349 -7.828 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.771 4.378 -5.572 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.517 3.883 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.609 5.966 -6.486 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.964 4.250 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.455 4.475 -8.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.792 4.633 -8.886 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.753 6.018 -8.681 1.00 0.00 H new ATOM 1310 N ALA B 20 10.524 8.051 -3.305 1.00 0.00 N ATOM 1311 CA ALA B 20 11.072 9.137 -2.480 1.00 0.00 C ATOM 1312 C ALA B 20 11.837 10.114 -3.388 1.00 0.00 C ATOM 1313 O ALA B 20 12.155 9.761 -4.528 1.00 0.00 O ATOM 1314 CB ALA B 20 11.970 8.560 -1.376 1.00 0.00 C ATOM 0 H ALA B 20 11.223 7.625 -3.914 1.00 0.00 H new ATOM 0 HA ALA B 20 10.266 9.681 -1.988 1.00 0.00 H new ATOM 0 HB1 ALA B 20 12.371 9.373 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA B 20 11.386 7.891 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.792 8.005 -1.828 1.00 0.00 H new ATOM 1320 N SER B 21 12.049 11.356 -2.907 1.00 0.00 N ATOM 1321 CA SER B 21 12.796 12.417 -3.628 1.00 0.00 C ATOM 1322 C SER B 21 14.199 11.959 -4.133 1.00 0.00 C ATOM 1323 O SER B 21 14.663 12.402 -5.189 1.00 0.00 O ATOM 1324 CB SER B 21 12.943 13.640 -2.699 1.00 0.00 C ATOM 1325 OG SER B 21 11.692 14.021 -2.141 1.00 0.00 O ATOM 0 H SER B 21 11.704 11.658 -1.996 1.00 0.00 H new ATOM 0 HA SER B 21 12.222 12.669 -4.520 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.645 13.408 -1.898 1.00 0.00 H new ATOM 0 HB3 SER B 21 13.363 14.476 -3.259 1.00 0.00 H new ATOM 0 HG SER B 21 11.818 14.797 -1.556 1.00 0.00 H new ATOM 1331 N ASN B 22 14.854 11.061 -3.369 1.00 0.00 N ATOM 1332 CA ASN B 22 16.187 10.499 -3.726 1.00 0.00 C ATOM 1333 C ASN B 22 16.086 9.408 -4.820 1.00 0.00 C ATOM 1334 O ASN B 22 17.107 8.946 -5.333 1.00 0.00 O ATOM 1335 CB ASN B 22 16.870 9.901 -2.470 1.00 0.00 C ATOM 1336 CG ASN B 22 17.278 10.928 -1.412 1.00 0.00 C ATOM 1337 OD1 ASN B 22 16.725 12.021 -1.319 1.00 0.00 O ATOM 1338 ND2 ASN B 22 18.234 10.556 -0.582 1.00 0.00 N ATOM 0 H ASN B 22 14.482 10.702 -2.490 1.00 0.00 H new ATOM 0 HA ASN B 22 16.785 11.320 -4.121 1.00 0.00 H new ATOM 0 HB2 ASN B 22 16.192 9.180 -2.014 1.00 0.00 H new ATOM 0 HB3 ASN B 22 17.757 9.351 -2.783 1.00 0.00 H new ATOM 0 HD21 ASN B 22 18.534 11.183 0.164 1.00 0.00 H new ATOM 0 HD22 ASN B 22 18.673 9.641 -0.687 1.00 0.00 H new ATOM 1345 N GLY B 23 14.854 9.023 -5.178 1.00 0.00 N ATOM 1346 CA GLY B 23 14.602 7.889 -6.076 1.00 0.00 C ATOM 1347 C GLY B 23 14.523 6.560 -5.336 1.00 0.00 C ATOM 1348 O GLY B 23 14.553 5.501 -5.961 1.00 0.00 O ATOM 0 H GLY B 23 14.006 9.488 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.669 8.057 -6.614 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.395 7.838 -6.822 1.00 0.00 H new ATOM 1352 N GLU B 24 14.445 6.630 -3.992 1.00 0.00 N ATOM 1353 CA GLU B 24 14.251 5.453 -3.122 1.00 0.00 C ATOM 1354 C GLU B 24 12.795 4.960 -3.201 1.00 0.00 C ATOM 1355 O GLU B 24 11.926 5.670 -3.698 1.00 0.00 O ATOM 1356 CB GLU B 24 14.609 5.824 -1.661 1.00 0.00 C ATOM 1357 CG GLU B 24 16.023 6.416 -1.482 1.00 0.00 C ATOM 1358 CD GLU B 24 16.239 6.997 -0.077 1.00 0.00 C ATOM 1359 OE1 GLU B 24 15.758 8.121 0.188 1.00 0.00 O ATOM 1360 OE2 GLU B 24 16.846 6.320 0.780 1.00 0.00 O ATOM 0 H GLU B 24 14.515 7.508 -3.478 1.00 0.00 H new ATOM 0 HA GLU B 24 14.905 4.650 -3.461 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.878 6.543 -1.292 1.00 0.00 H new ATOM 0 HB3 GLU B 24 14.520 4.932 -1.040 1.00 0.00 H new ATOM 0 HG2 GLU B 24 16.765 5.640 -1.670 1.00 0.00 H new ATOM 0 HG3 GLU B 24 16.184 7.198 -2.224 1.00 0.00 H new ATOM 1367 N THR B 25 12.543 3.743 -2.711 1.00 0.00 N ATOM 1368 CA THR B 25 11.195 3.156 -2.651 1.00 0.00 C ATOM 1369 C THR B 25 10.949 2.634 -1.231 1.00 0.00 C ATOM 1370 O THR B 25 11.715 1.817 -0.716 1.00 0.00 O ATOM 1371 CB THR B 25 11.021 1.995 -3.689 1.00 0.00 C ATOM 1372 OG1 THR B 25 11.505 2.413 -4.965 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.558 1.547 -3.813 1.00 0.00 C ATOM 0 H THR B 25 13.271 3.131 -2.342 1.00 0.00 H new ATOM 0 HA THR B 25 10.467 3.927 -2.903 1.00 0.00 H new ATOM 0 HB THR B 25 11.599 1.143 -3.330 1.00 0.00 H new ATOM 0 HG1 THR B 25 11.697 1.626 -5.516 1.00 0.00 H new ATOM 0 HG21 THR B 25 9.485 0.741 -4.543 1.00 0.00 H new ATOM 0 HG22 THR B 25 9.203 1.193 -2.845 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.946 2.388 -4.139 1.00 0.00 H new ATOM 1381 N MET B 26 9.870 3.119 -0.622 1.00 0.00 N ATOM 1382 CA MET B 26 9.538 2.848 0.786 1.00 0.00 C ATOM 1383 C MET B 26 8.478 1.735 0.920 1.00 0.00 C ATOM 1384 O MET B 26 8.308 1.187 2.015 1.00 0.00 O ATOM 1385 CB MET B 26 9.156 4.176 1.504 1.00 0.00 C ATOM 1386 CG MET B 26 8.335 5.153 0.659 1.00 0.00 C ATOM 1387 SD MET B 26 6.767 4.467 0.142 1.00 0.00 S ATOM 1388 CE MET B 26 5.950 4.361 1.716 1.00 0.00 C ATOM 0 H MET B 26 9.191 3.718 -1.091 1.00 0.00 H new ATOM 0 HA MET B 26 10.418 2.455 1.295 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.592 3.935 2.405 1.00 0.00 H new ATOM 0 HB3 MET B 26 10.071 4.675 1.824 1.00 0.00 H new ATOM 0 HG2 MET B 26 8.158 6.063 1.232 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.911 5.438 -0.222 1.00 0.00 H new ATOM 0 HE1 MET B 26 5.185 3.585 1.677 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.679 4.114 2.488 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.484 5.318 1.949 1.00 0.00 H new ATOM 1398 N PHE B 27 7.774 1.406 -0.193 1.00 0.00 N ATOM 1399 CA PHE B 27 7.042 0.122 -0.328 1.00 0.00 C ATOM 1400 C PHE B 27 6.655 -0.140 -1.802 1.00 0.00 C ATOM 1401 O PHE B 27 6.646 0.771 -2.639 1.00 0.00 O ATOM 1402 CB PHE B 27 5.761 0.011 0.596 1.00 0.00 C ATOM 1403 CG PHE B 27 4.502 0.632 -0.020 1.00 0.00 C ATOM 1404 CD1 PHE B 27 4.363 1.999 -0.054 1.00 0.00 C ATOM 1405 CD2 PHE B 27 3.505 -0.149 -0.609 1.00 0.00 C ATOM 1406 CE1 PHE B 27 3.296 2.601 -0.657 1.00 0.00 C ATOM 1407 CE2 PHE B 27 2.424 0.455 -1.214 1.00 0.00 C ATOM 1408 CZ PHE B 27 2.324 1.835 -1.239 1.00 0.00 C ATOM 0 H PHE B 27 7.698 2.013 -1.009 1.00 0.00 H new ATOM 0 HA PHE B 27 7.736 -0.645 0.014 1.00 0.00 H new ATOM 0 HB2 PHE B 27 5.569 -1.040 0.811 1.00 0.00 H new ATOM 0 HB3 PHE B 27 5.967 0.499 1.549 1.00 0.00 H new ATOM 0 HD1 PHE B 27 5.120 2.615 0.410 1.00 0.00 H new ATOM 0 HD2 PHE B 27 3.581 -1.226 -0.590 1.00 0.00 H new ATOM 0 HE1 PHE B 27 3.220 3.678 -0.674 1.00 0.00 H new ATOM 0 HE2 PHE B 27 1.654 -0.150 -1.669 1.00 0.00 H new ATOM 0 HZ PHE B 27 1.479 2.307 -1.718 1.00 0.00 H new ATOM 1418 N SER B 28 6.254 -1.397 -2.033 1.00 0.00 N ATOM 1419 CA SER B 28 5.904 -1.935 -3.350 1.00 0.00 C ATOM 1420 C SER B 28 5.390 -3.355 -3.167 1.00 0.00 C ATOM 1421 O SER B 28 5.947 -4.054 -2.317 1.00 0.00 O ATOM 1422 CB SER B 28 7.150 -1.949 -4.283 1.00 0.00 C ATOM 1423 OG SER B 28 6.847 -2.432 -5.580 1.00 0.00 O ATOM 0 H SER B 28 6.162 -2.086 -1.286 1.00 0.00 H new ATOM 0 HA SER B 28 5.139 -1.308 -3.808 1.00 0.00 H new ATOM 0 HB2 SER B 28 7.555 -0.940 -4.359 1.00 0.00 H new ATOM 0 HB3 SER B 28 7.927 -2.571 -3.839 1.00 0.00 H new ATOM 0 HG SER B 28 5.987 -2.064 -5.873 1.00 0.00 H new ATOM 1429 N SER B 29 4.418 -3.794 -4.024 1.00 0.00 N ATOM 1430 CA SER B 29 3.844 -5.170 -4.000 1.00 0.00 C ATOM 1431 C SER B 29 2.545 -5.259 -4.818 1.00 0.00 C ATOM 1432 O SER B 29 2.605 -5.436 -6.024 1.00 0.00 O ATOM 1433 CB SER B 29 3.645 -5.790 -2.578 1.00 0.00 C ATOM 1434 OG SER B 29 4.793 -6.489 -2.124 1.00 0.00 O ATOM 0 H SER B 29 4.013 -3.201 -4.749 1.00 0.00 H new ATOM 0 HA SER B 29 4.612 -5.783 -4.472 1.00 0.00 H new ATOM 0 HB2 SER B 29 3.403 -4.997 -1.870 1.00 0.00 H new ATOM 0 HB3 SER B 29 2.794 -6.470 -2.598 1.00 0.00 H new ATOM 0 HG SER B 29 5.559 -5.878 -2.097 1.00 0.00 H new ATOM 1440 N GLU B 30 1.387 -5.105 -4.156 1.00 0.00 N ATOM 1441 CA GLU B 30 0.091 -5.618 -4.656 1.00 0.00 C ATOM 1442 C GLU B 30 -0.376 -4.978 -5.989 1.00 0.00 C ATOM 1443 O GLU B 30 -0.678 -5.698 -6.931 1.00 0.00 O ATOM 1444 CB GLU B 30 -1.020 -5.489 -3.568 1.00 0.00 C ATOM 1445 CG GLU B 30 -1.504 -4.065 -3.242 1.00 0.00 C ATOM 1446 CD GLU B 30 -0.440 -3.138 -2.613 1.00 0.00 C ATOM 1447 OE1 GLU B 30 0.362 -2.517 -3.353 1.00 0.00 O ATOM 1448 OE2 GLU B 30 -0.417 -3.026 -1.384 1.00 0.00 O ATOM 0 H GLU B 30 1.318 -4.623 -3.260 1.00 0.00 H new ATOM 0 HA GLU B 30 0.264 -6.672 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -1.881 -6.076 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -0.650 -5.942 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -1.869 -3.603 -4.159 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -2.352 -4.133 -2.561 1.00 0.00 H new ATOM 1455 N GLY B 31 -0.449 -3.631 -6.054 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.121 -2.918 -7.161 1.00 0.00 C ATOM 1457 C GLY B 31 -2.637 -3.147 -7.243 1.00 0.00 C ATOM 1458 O GLY B 31 -3.271 -2.762 -8.235 1.00 0.00 O ATOM 0 H GLY B 31 -0.048 -3.013 -5.348 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -0.934 -1.850 -7.054 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -0.669 -3.228 -8.103 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.161 -3.801 -6.193 1.00 0.00 N ATOM 1463 CA TYR B 32 -4.560 -4.208 -6.027 1.00 0.00 C ATOM 1464 C TYR B 32 -4.885 -5.376 -6.992 1.00 0.00 C ATOM 1465 O TYR B 32 -4.951 -6.527 -6.553 1.00 0.00 O ATOM 1466 CB TYR B 32 -5.548 -3.016 -6.178 1.00 0.00 C ATOM 1467 CG TYR B 32 -7.011 -3.366 -5.853 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -7.486 -3.323 -4.548 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -7.911 -3.741 -6.853 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -8.794 -3.636 -4.251 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -9.221 -4.055 -6.559 1.00 0.00 C ATOM 1472 CZ TYR B 32 -9.655 -4.001 -5.263 1.00 0.00 C ATOM 1473 OH TYR B 32 -10.957 -4.321 -4.969 1.00 0.00 O ATOM 0 H TYR B 32 -2.586 -4.073 -5.396 1.00 0.00 H new ATOM 0 HA TYR B 32 -4.694 -4.564 -5.005 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -5.226 -2.206 -5.524 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -5.494 -2.641 -7.200 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -6.816 -3.038 -3.750 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -7.574 -3.786 -7.878 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -9.143 -3.596 -3.230 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -9.901 -4.342 -7.348 1.00 0.00 H new ATOM 0 HH TYR B 32 -11.431 -4.555 -5.794 1.00 0.00 H new ATOM 1483 N LYS B 33 -5.055 -5.072 -8.306 1.00 0.00 N ATOM 1484 CA LYS B 33 -5.355 -6.095 -9.332 1.00 0.00 C ATOM 1485 C LYS B 33 -5.182 -5.535 -10.762 1.00 0.00 C ATOM 1486 O LYS B 33 -4.153 -5.772 -11.396 1.00 0.00 O ATOM 1487 CB LYS B 33 -6.786 -6.695 -9.138 1.00 0.00 C ATOM 1488 CG LYS B 33 -7.137 -7.865 -10.094 1.00 0.00 C ATOM 1489 CD LYS B 33 -6.110 -9.025 -10.028 1.00 0.00 C ATOM 1490 CE LYS B 33 -6.460 -10.182 -10.974 1.00 0.00 C ATOM 1491 NZ LYS B 33 -7.736 -10.851 -10.610 1.00 0.00 N ATOM 0 H LYS B 33 -4.988 -4.124 -8.676 1.00 0.00 H new ATOM 0 HA LYS B 33 -4.633 -6.901 -9.202 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -6.882 -7.044 -8.110 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -7.519 -5.900 -9.275 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -8.127 -8.248 -9.844 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -7.189 -7.490 -11.116 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -5.120 -8.643 -10.279 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -6.057 -9.400 -9.006 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -6.530 -9.804 -11.994 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -5.653 -10.915 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -7.884 -11.676 -11.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -7.694 -11.162 -9.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -8.525 -10.184 -10.730 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.197 -4.789 -11.251 1.00 0.00 N ATOM 1506 CA ALA B 34 -6.279 -4.311 -12.662 1.00 0.00 C ATOM 1507 C ALA B 34 -6.045 -2.800 -12.704 1.00 0.00 C ATOM 1508 O ALA B 34 -6.137 -2.172 -11.663 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.648 -4.670 -13.251 1.00 0.00 C ATOM 0 H ALA B 34 -6.990 -4.496 -10.680 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.510 -4.798 -13.262 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -7.704 -4.319 -14.282 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.782 -5.752 -13.228 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -8.433 -4.195 -12.663 1.00 0.00 H new ATOM 1515 N LYS B 35 -5.777 -2.202 -13.897 1.00 0.00 N ATOM 1516 CA LYS B 35 -5.376 -0.778 -14.004 1.00 0.00 C ATOM 1517 C LYS B 35 -6.455 0.179 -13.460 1.00 0.00 C ATOM 1518 O LYS B 35 -6.138 1.074 -12.688 1.00 0.00 O ATOM 1519 CB LYS B 35 -5.052 -0.400 -15.468 1.00 0.00 C ATOM 1520 CG LYS B 35 -4.679 1.089 -15.673 1.00 0.00 C ATOM 1521 CD LYS B 35 -4.683 1.519 -17.151 1.00 0.00 C ATOM 1522 CE LYS B 35 -4.465 3.032 -17.330 1.00 0.00 C ATOM 1523 NZ LYS B 35 -3.153 3.479 -16.805 1.00 0.00 N ATOM 0 H LYS B 35 -5.832 -2.685 -14.793 1.00 0.00 H new ATOM 0 HA LYS B 35 -4.482 -0.667 -13.391 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -4.227 -1.021 -15.817 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -5.914 -0.636 -16.091 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -5.381 1.712 -15.119 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -3.690 1.270 -15.252 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -3.902 0.978 -17.685 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -5.633 1.237 -17.605 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -4.535 3.284 -18.388 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -5.261 3.574 -16.820 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -3.256 4.416 -16.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -2.814 2.800 -16.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -2.468 3.535 -17.585 1.00 0.00 H new ATOM 1537 N ALA B 36 -7.715 -0.007 -13.888 1.00 0.00 N ATOM 1538 CA ALA B 36 -8.849 0.832 -13.429 1.00 0.00 C ATOM 1539 C ALA B 36 -8.913 0.870 -11.893 1.00 0.00 C ATOM 1540 O ALA B 36 -8.938 1.942 -11.288 1.00 0.00 O ATOM 1541 CB ALA B 36 -10.167 0.319 -14.025 1.00 0.00 C ATOM 0 H ALA B 36 -7.981 -0.733 -14.554 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.691 1.852 -13.780 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -10.990 0.944 -13.679 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -10.114 0.358 -15.113 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -10.334 -0.710 -13.706 1.00 0.00 H new ATOM 1547 N SER B 37 -8.825 -0.315 -11.286 1.00 0.00 N ATOM 1548 CA SER B 37 -8.880 -0.487 -9.830 1.00 0.00 C ATOM 1549 C SER B 37 -7.556 -0.049 -9.162 1.00 0.00 C ATOM 1550 O SER B 37 -7.536 0.284 -7.976 1.00 0.00 O ATOM 1551 CB SER B 37 -9.175 -1.958 -9.520 1.00 0.00 C ATOM 1552 OG SER B 37 -10.324 -2.412 -10.214 1.00 0.00 O ATOM 0 H SER B 37 -8.712 -1.192 -11.795 1.00 0.00 H new ATOM 0 HA SER B 37 -9.671 0.145 -9.426 1.00 0.00 H new ATOM 0 HB2 SER B 37 -8.316 -2.569 -9.797 1.00 0.00 H new ATOM 0 HB3 SER B 37 -9.323 -2.083 -8.447 1.00 0.00 H new ATOM 0 HG SER B 37 -10.486 -3.354 -9.998 1.00 0.00 H new ATOM 1558 N ALA B 38 -6.464 -0.062 -9.949 1.00 0.00 N ATOM 1559 CA ALA B 38 -5.131 0.343 -9.502 1.00 0.00 C ATOM 1560 C ALA B 38 -5.104 1.852 -9.200 1.00 0.00 C ATOM 1561 O ALA B 38 -4.778 2.266 -8.084 1.00 0.00 O ATOM 1562 CB ALA B 38 -4.071 -0.038 -10.558 1.00 0.00 C ATOM 0 H ALA B 38 -6.490 -0.359 -10.924 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.891 -0.188 -8.581 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -3.085 0.270 -10.211 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -4.081 -1.117 -10.711 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -4.298 0.464 -11.499 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.472 2.662 -10.204 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.587 4.122 -10.063 1.00 0.00 C ATOM 1570 C ILE B 39 -6.594 4.482 -8.958 1.00 0.00 C ATOM 1571 O ILE B 39 -6.270 5.295 -8.098 1.00 0.00 O ATOM 1572 CB ILE B 39 -5.979 4.835 -11.427 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.779 4.855 -12.431 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.510 6.276 -11.204 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.373 3.514 -13.003 1.00 0.00 C ATOM 0 H ILE B 39 -5.699 2.323 -11.139 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.601 4.492 -9.780 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.786 4.244 -11.860 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.033 5.519 -13.257 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -3.916 5.290 -11.927 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -6.765 6.723 -12.165 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.398 6.243 -10.572 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.741 6.876 -10.718 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.533 3.648 -13.685 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -4.079 2.847 -12.193 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.214 3.080 -13.544 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.792 3.841 -8.978 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.863 4.090 -7.975 1.00 0.00 C ATOM 1589 C HIS B 40 -8.346 3.884 -6.537 1.00 0.00 C ATOM 1590 O HIS B 40 -8.689 4.665 -5.622 1.00 0.00 O ATOM 1591 CB HIS B 40 -10.123 3.209 -8.232 1.00 0.00 C ATOM 1592 CG HIS B 40 -11.060 3.736 -9.297 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -11.729 4.931 -9.178 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -11.451 3.222 -10.486 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -12.485 5.121 -10.236 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -12.333 4.100 -11.048 1.00 0.00 N ATOM 0 H HIS B 40 -8.042 3.145 -9.681 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.160 5.133 -8.088 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.797 2.209 -8.517 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.676 3.110 -7.298 1.00 0.00 H new ATOM 0 HD1 HIS B 40 -11.651 5.572 -8.389 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -11.124 2.286 -10.914 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -13.124 5.974 -10.409 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.492 2.854 -6.345 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.824 2.612 -5.067 1.00 0.00 C ATOM 1607 C ALA B 41 -5.952 3.820 -4.711 1.00 0.00 C ATOM 1608 O ALA B 41 -6.136 4.439 -3.673 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.997 1.314 -5.122 1.00 0.00 C ATOM 0 H ALA B 41 -7.254 2.178 -7.071 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.573 2.484 -4.286 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.508 1.153 -4.161 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.655 0.473 -5.340 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -5.242 1.397 -5.904 1.00 0.00 H new ATOM 1615 N ILE B 42 -5.060 4.196 -5.627 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.166 5.350 -5.439 1.00 0.00 C ATOM 1617 C ILE B 42 -4.955 6.675 -5.251 1.00 0.00 C ATOM 1618 O ILE B 42 -4.467 7.604 -4.602 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.154 5.460 -6.625 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.323 4.150 -6.738 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.215 6.683 -6.468 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.480 4.066 -7.979 1.00 0.00 C ATOM 0 H ILE B 42 -4.933 3.715 -6.518 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.604 5.183 -4.520 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.727 5.604 -7.541 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.676 4.066 -5.865 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -3.002 3.298 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.527 6.724 -7.312 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.809 7.596 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.648 6.590 -5.542 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -0.932 3.124 -7.983 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.122 4.116 -8.859 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.774 4.897 -7.996 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.209 6.725 -5.738 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.050 7.923 -5.596 1.00 0.00 C ATOM 1636 C GLU B 43 -7.415 8.113 -4.120 1.00 0.00 C ATOM 1637 O GLU B 43 -7.484 9.247 -3.652 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.322 7.864 -6.472 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.059 7.948 -7.998 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.338 7.968 -8.859 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.315 7.282 -8.504 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -9.367 8.655 -9.907 1.00 0.00 O ATOM 0 H GLU B 43 -6.658 5.953 -6.230 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.475 8.779 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.852 6.936 -6.258 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -8.983 8.682 -6.185 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.480 8.847 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.446 7.098 -8.297 1.00 0.00 H new ATOM 1649 N SER B 44 -7.586 6.977 -3.388 1.00 0.00 N ATOM 1650 CA SER B 44 -7.753 6.982 -1.912 1.00 0.00 C ATOM 1651 C SER B 44 -6.603 7.708 -1.213 1.00 0.00 C ATOM 1652 O SER B 44 -6.819 8.385 -0.197 1.00 0.00 O ATOM 1653 CB SER B 44 -7.830 5.541 -1.364 1.00 0.00 C ATOM 1654 OG SER B 44 -9.099 4.954 -1.589 1.00 0.00 O ATOM 0 H SER B 44 -7.611 6.045 -3.801 1.00 0.00 H new ATOM 0 HA SER B 44 -8.684 7.510 -1.705 1.00 0.00 H new ATOM 0 HB2 SER B 44 -7.060 4.932 -1.837 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.619 5.548 -0.295 1.00 0.00 H new ATOM 0 HG SER B 44 -9.504 4.711 -0.730 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.383 7.543 -1.753 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.195 8.112 -1.137 1.00 0.00 C ATOM 1662 C ILE B 45 -4.254 9.645 -1.250 1.00 0.00 C ATOM 1663 O ILE B 45 -3.969 10.367 -0.293 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.829 7.571 -1.736 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.908 6.072 -2.166 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.722 7.718 -0.682 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -3.052 5.078 -1.037 1.00 0.00 C ATOM 0 H ILE B 45 -5.205 7.021 -2.611 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.202 7.797 -0.094 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.614 8.162 -2.626 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.753 5.951 -2.844 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -2.009 5.826 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.781 7.348 -1.089 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.613 8.769 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -1.986 7.142 0.205 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.098 4.068 -1.445 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -2.196 5.161 -0.368 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.967 5.287 -0.483 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.690 10.120 -2.436 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.823 11.573 -2.757 1.00 0.00 C ATOM 1681 C LYS B 46 -5.984 12.228 -2.011 1.00 0.00 C ATOM 1682 O LYS B 46 -6.058 13.457 -1.921 1.00 0.00 O ATOM 1683 CB LYS B 46 -4.954 11.814 -4.307 1.00 0.00 C ATOM 1684 CG LYS B 46 -3.633 11.651 -5.101 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.032 10.225 -4.990 1.00 0.00 C ATOM 1686 CE LYS B 46 -1.515 10.188 -4.948 1.00 0.00 C ATOM 1687 NZ LYS B 46 -0.894 10.252 -6.289 1.00 0.00 N ATOM 0 H LYS B 46 -4.963 9.511 -3.207 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.904 12.049 -2.414 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -5.691 11.119 -4.708 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.340 12.820 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -3.815 11.882 -6.151 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -2.905 12.376 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -3.420 9.749 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -3.375 9.632 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -1.154 11.023 -4.347 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.194 9.274 -4.449 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 0.003 9.725 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -1.537 9.831 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -0.710 11.245 -6.540 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.887 11.401 -1.488 1.00 0.00 N ATOM 1702 CA ARG B 47 -8.062 11.889 -0.721 1.00 0.00 C ATOM 1703 C ARG B 47 -7.630 12.492 0.630 1.00 0.00 C ATOM 1704 O ARG B 47 -7.901 13.665 0.906 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.110 10.783 -0.504 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.778 10.305 -1.798 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.914 9.328 -1.541 1.00 0.00 C ATOM 1708 NE ARG B 47 -11.428 8.758 -2.807 1.00 0.00 N ATOM 1709 CZ ARG B 47 -11.588 7.450 -3.069 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -11.312 6.536 -2.144 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -12.034 7.068 -4.259 1.00 0.00 N ATOM 0 H ARG B 47 -6.839 10.386 -1.574 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.528 12.672 -1.319 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.633 9.933 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.878 11.151 0.177 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -10.161 11.167 -2.345 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -9.031 9.830 -2.434 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.566 8.524 -0.892 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -11.722 9.836 -1.014 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.683 9.415 -3.544 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.975 6.825 -1.226 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.437 5.545 -2.353 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -12.254 7.766 -4.970 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -12.157 6.076 -4.463 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.919 11.686 1.445 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.627 12.062 2.855 1.00 0.00 C ATOM 1727 C ASN B 48 -5.597 11.133 3.526 1.00 0.00 C ATOM 1728 O ASN B 48 -5.483 11.143 4.752 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.961 12.147 3.698 1.00 0.00 C ATOM 1730 CG ASN B 48 -8.137 13.455 4.491 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -8.735 13.466 5.564 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -7.667 14.574 3.942 1.00 0.00 N ATOM 0 H ASN B 48 -6.539 10.783 1.162 1.00 0.00 H new ATOM 0 HA ASN B 48 -6.169 13.051 2.829 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.809 12.030 3.024 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -7.989 11.309 4.394 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -7.800 15.468 4.414 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -7.174 14.536 3.050 1.00 0.00 H new ATOM 1739 N SER B 49 -4.836 10.356 2.740 1.00 0.00 N ATOM 1740 CA SER B 49 -3.868 9.379 3.297 1.00 0.00 C ATOM 1741 C SER B 49 -2.710 10.057 4.029 1.00 0.00 C ATOM 1742 O SER B 49 -2.217 9.530 5.026 1.00 0.00 O ATOM 1743 CB SER B 49 -3.312 8.476 2.213 1.00 0.00 C ATOM 1744 OG SER B 49 -2.553 7.408 2.744 1.00 0.00 O ATOM 0 H SER B 49 -4.867 10.379 1.721 1.00 0.00 H new ATOM 0 HA SER B 49 -4.425 8.781 4.019 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.134 8.075 1.620 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.688 9.063 1.539 1.00 0.00 H new ATOM 0 HG SER B 49 -3.152 6.675 2.998 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.266 11.222 3.524 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.264 12.037 4.219 1.00 0.00 C ATOM 1752 C ALA B 50 -1.795 12.532 5.580 1.00 0.00 C ATOM 1753 O ALA B 50 -1.034 12.663 6.542 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.810 13.197 3.332 1.00 0.00 C ATOM 0 H ALA B 50 -2.587 11.616 2.639 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.394 11.413 4.423 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -0.067 13.792 3.863 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.372 12.804 2.414 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.667 13.824 3.085 1.00 0.00 H new ATOM 1760 N GLY B 51 -3.118 12.765 5.648 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.774 13.168 6.890 1.00 0.00 C ATOM 1762 C GLY B 51 -4.323 11.987 7.685 1.00 0.00 C ATOM 1763 O GLY B 51 -4.882 12.185 8.771 1.00 0.00 O ATOM 0 H GLY B 51 -3.749 12.679 4.851 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -3.063 13.716 7.508 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.589 13.853 6.658 1.00 0.00 H new ATOM 1767 N ALA B 52 -4.172 10.758 7.139 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.609 9.516 7.805 1.00 0.00 C ATOM 1769 C ALA B 52 -3.695 9.191 8.992 1.00 0.00 C ATOM 1770 O ALA B 52 -2.589 9.741 9.113 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.641 8.344 6.801 1.00 0.00 C ATOM 0 H ALA B 52 -3.744 10.603 6.226 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.620 9.666 8.185 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -4.966 7.437 7.311 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.336 8.575 5.994 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.644 8.191 6.388 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.162 8.294 9.862 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.414 7.870 11.062 1.00 0.00 C ATOM 1779 C ASP B 53 -2.592 6.602 10.751 1.00 0.00 C ATOM 1780 O ASP B 53 -2.800 5.941 9.716 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.411 7.646 12.230 1.00 0.00 C ATOM 1782 CG ASP B 53 -3.741 7.350 13.589 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.156 8.274 14.194 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -3.772 6.196 14.049 1.00 0.00 O ATOM 0 H ASP B 53 -5.068 7.837 9.761 1.00 0.00 H new ATOM 0 HA ASP B 53 -2.710 8.646 11.361 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.038 8.532 12.332 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.071 6.817 11.975 1.00 0.00 H new ATOM 1789 N THR B 54 -1.600 6.322 11.599 1.00 0.00 N ATOM 1790 CA THR B 54 -0.781 5.105 11.520 1.00 0.00 C ATOM 1791 C THR B 54 -1.088 4.219 12.745 1.00 0.00 C ATOM 1792 O THR B 54 -0.625 4.494 13.859 1.00 0.00 O ATOM 1793 CB THR B 54 0.745 5.467 11.447 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.955 6.438 10.404 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.632 4.232 11.173 1.00 0.00 C ATOM 0 H THR B 54 -1.338 6.938 12.368 1.00 0.00 H new ATOM 0 HA THR B 54 -1.025 4.555 10.611 1.00 0.00 H new ATOM 0 HB THR B 54 1.031 5.871 12.418 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.907 6.667 10.357 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.678 4.537 11.132 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.498 3.503 11.972 1.00 0.00 H new ATOM 0 HG23 THR B 54 1.347 3.784 10.221 1.00 0.00 H new ATOM 1803 N VAL B 55 -1.933 3.201 12.527 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.363 2.243 13.565 1.00 0.00 C ATOM 1805 C VAL B 55 -1.562 0.941 13.426 1.00 0.00 C ATOM 1806 O VAL B 55 -1.479 0.392 12.327 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.896 1.914 13.425 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.400 1.015 14.577 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.724 3.198 13.339 1.00 0.00 C ATOM 0 H VAL B 55 -2.345 3.014 11.613 1.00 0.00 H new ATOM 0 HA VAL B 55 -2.185 2.695 14.541 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.023 1.357 12.497 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.462 0.812 14.442 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.848 0.075 14.573 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -4.246 1.523 15.529 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.780 2.944 13.243 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.574 3.789 14.242 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.409 3.776 12.470 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.965 0.470 14.533 1.00 0.00 N ATOM 1820 CA ASP B 56 -0.277 -0.836 14.593 1.00 0.00 C ATOM 1821 C ASP B 56 -1.086 -1.817 15.460 1.00 0.00 C ATOM 1822 O ASP B 56 -1.207 -1.643 16.670 1.00 0.00 O ATOM 1823 CB ASP B 56 1.171 -0.672 15.127 1.00 0.00 C ATOM 1824 CG ASP B 56 1.913 -2.003 15.356 1.00 0.00 C ATOM 1825 OD1 ASP B 56 1.814 -2.910 14.509 1.00 0.00 O ATOM 1826 OD2 ASP B 56 2.630 -2.130 16.366 1.00 0.00 O ATOM 0 H ASP B 56 -0.944 0.983 15.415 1.00 0.00 H new ATOM 0 HA ASP B 56 -0.209 -1.246 13.585 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.741 -0.068 14.421 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.140 -0.120 16.066 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.670 -2.819 14.795 1.00 0.00 N ATOM 1832 CA LEU B 57 -2.463 -3.890 15.410 1.00 0.00 C ATOM 1833 C LEU B 57 -1.593 -4.929 16.140 1.00 0.00 C ATOM 1834 O LEU B 57 -2.024 -5.468 17.156 1.00 0.00 O ATOM 1835 CB LEU B 57 -3.312 -4.600 14.317 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.584 -3.854 13.785 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -4.281 -2.418 13.305 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -5.226 -4.676 12.653 1.00 0.00 C ATOM 0 H LEU B 57 -1.602 -2.910 13.781 1.00 0.00 H new ATOM 0 HA LEU B 57 -3.108 -3.427 16.156 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.662 -4.803 13.466 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.630 -5.565 14.713 1.00 0.00 H new ATOM 0 HG LEU B 57 -5.280 -3.760 14.618 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.200 -1.952 12.948 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.877 -1.835 14.133 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -3.553 -2.451 12.495 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -6.110 -4.157 12.283 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -4.510 -4.797 11.840 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -5.513 -5.657 13.033 1.00 0.00 H new ATOM 1850 N THR B 58 -0.348 -5.167 15.669 1.00 0.00 N ATOM 1851 CA THR B 58 0.432 -6.357 16.097 1.00 0.00 C ATOM 1852 C THR B 58 1.414 -6.011 17.242 1.00 0.00 C ATOM 1853 O THR B 58 2.283 -6.824 17.548 1.00 0.00 O ATOM 1854 CB THR B 58 1.197 -6.999 14.881 1.00 0.00 C ATOM 1855 OG1 THR B 58 1.699 -8.312 15.211 1.00 0.00 O ATOM 1856 CG2 THR B 58 2.367 -6.120 14.382 1.00 0.00 C ATOM 0 H THR B 58 0.134 -4.563 15.003 1.00 0.00 H new ATOM 0 HA THR B 58 -0.277 -7.091 16.479 1.00 0.00 H new ATOM 0 HB THR B 58 0.465 -7.079 14.077 1.00 0.00 H new ATOM 0 HG1 THR B 58 2.081 -8.299 16.113 1.00 0.00 H new ATOM 0 HG21 THR B 58 2.859 -6.611 13.543 1.00 0.00 H new ATOM 0 HG22 THR B 58 1.983 -5.151 14.061 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.085 -5.977 15.190 1.00 0.00 H new ATOM 1864 N THR B 59 1.211 -4.825 17.883 1.00 0.00 N ATOM 1865 CA THR B 59 2.057 -4.266 18.984 1.00 0.00 C ATOM 1866 C THR B 59 2.757 -5.336 19.869 1.00 0.00 C ATOM 1867 O THR B 59 3.973 -5.289 20.073 1.00 0.00 O ATOM 1868 CB THR B 59 1.203 -3.319 19.902 1.00 0.00 C ATOM 1869 OG1 THR B 59 0.014 -4.002 20.334 1.00 0.00 O ATOM 1870 CG2 THR B 59 0.802 -2.008 19.199 1.00 0.00 C ATOM 0 H THR B 59 0.432 -4.212 17.643 1.00 0.00 H new ATOM 0 HA THR B 59 2.850 -3.713 18.481 1.00 0.00 H new ATOM 0 HB THR B 59 1.830 -3.058 20.755 1.00 0.00 H new ATOM 0 HG1 THR B 59 -0.514 -3.408 20.907 1.00 0.00 H new ATOM 0 HG21 THR B 59 0.214 -1.394 19.881 1.00 0.00 H new ATOM 0 HG22 THR B 59 1.699 -1.464 18.904 1.00 0.00 H new ATOM 0 HG23 THR B 59 0.209 -2.237 18.314 1.00 0.00 H new