USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 681 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 THR OG1 : rot 88:sc= 1.27 USER MOD Set 1.2: A 75 HIS : no HD1:sc= -0.745 X(o=0.52,f=0.85) USER MOD Set 2.1: A 38 SER OG : rot 180:sc= 0.0921 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 169:sc= 0.508 (180deg=-0.226) USER MOD Set 3.1: A 53 MET CE :methyl -164:sc= -0.119 (180deg=-0.519) USER MOD Set 3.2: A 77 HIS : no HD1:sc= -0.0013 X(o=-0.12,f=-0.12) USER MOD Set 4.1: A 37 THR OG1 : rot -118:sc= 0.225 USER MOD Set 4.2: A 39 HIS :FLIP no HD1:sc= 0.222 F(o=-0.094,f=0.45) USER MOD Set 5.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= 0.49 (180deg=-0.65!) USER MOD Single : A 4 HIS : no HD1:sc= -0.332 X(o=-0.33,f=-0.087) USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0472) USER MOD Single : A 7 TYR OH : rot 180:sc= 0.961 USER MOD Single : A 13 ASN : amide:sc= 0.522 K(o=0.52,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.00393 K(o=0.0039,f=-4.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -118:sc= 1.3 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 1.09 (180deg=1.02) USER MOD Single : A 25 SER OG : rot 76:sc= 0.846 USER MOD Single : A 29 ASN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 30 SER OG : rot -5:sc= 1.11 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 167:sc=-0.00972 (180deg=-0.213) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 46 LYS NZ :NH3+ 138:sc= -0.764 (180deg=-2.81!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 130:sc= 0.00622 (180deg=-0.22) USER MOD Single : A 55 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.012) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc=-0.00617 X(o=-0.0062,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0.156 K(o=0.16,f=-2.9!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.438 14.034 -15.219 1.00 0.00 N ATOM 2 CA MET A 1 4.026 13.714 -15.371 1.00 0.00 C ATOM 3 C MET A 1 3.477 13.226 -14.042 1.00 0.00 C ATOM 4 O MET A 1 3.450 12.029 -13.756 1.00 0.00 O ATOM 5 CB MET A 1 3.828 12.651 -16.459 1.00 0.00 C ATOM 6 CG MET A 1 2.393 12.211 -16.680 1.00 0.00 C ATOM 7 SD MET A 1 2.288 10.855 -17.859 1.00 0.00 S ATOM 8 CE MET A 1 0.536 10.497 -17.799 1.00 0.00 C ATOM 0 H1 MET A 1 5.818 14.369 -16.127 1.00 0.00 H new ATOM 0 H2 MET A 1 5.550 14.778 -14.501 1.00 0.00 H new ATOM 0 H3 MET A 1 5.956 13.184 -14.919 1.00 0.00 H new ATOM 0 HA MET A 1 3.485 14.610 -15.676 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.221 13.039 -17.399 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.424 11.775 -16.201 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.956 11.902 -15.730 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.805 13.055 -17.042 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.309 9.675 -18.478 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.257 10.216 -16.784 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.027 11.381 -18.099 1.00 0.00 H new ATOM 20 N LEU A 2 3.103 14.145 -13.209 1.00 0.00 N ATOM 21 CA LEU A 2 2.573 13.819 -11.923 1.00 0.00 C ATOM 22 C LEU A 2 1.083 14.037 -11.949 1.00 0.00 C ATOM 23 O LEU A 2 0.612 15.126 -12.313 1.00 0.00 O ATOM 24 CB LEU A 2 3.221 14.699 -10.838 1.00 0.00 C ATOM 25 CG LEU A 2 2.768 14.451 -9.393 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.122 13.043 -8.943 1.00 0.00 C ATOM 27 CD2 LEU A 2 3.377 15.481 -8.456 1.00 0.00 C ATOM 0 H LEU A 2 3.157 15.145 -13.402 1.00 0.00 H new ATOM 0 HA LEU A 2 2.791 12.777 -11.688 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.301 14.559 -10.886 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.024 15.743 -11.083 1.00 0.00 H new ATOM 0 HG LEU A 2 1.683 14.553 -9.359 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.789 12.895 -7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.629 12.319 -9.592 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.202 12.904 -8.998 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.043 15.288 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.464 15.416 -8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.061 16.479 -8.758 1.00 0.00 H new ATOM 39 N LYS A 3 0.334 13.021 -11.634 1.00 0.00 N ATOM 40 CA LYS A 3 -1.088 13.169 -11.560 1.00 0.00 C ATOM 41 C LYS A 3 -1.439 13.617 -10.137 1.00 0.00 C ATOM 42 O LYS A 3 -0.562 13.614 -9.257 1.00 0.00 O ATOM 43 CB LYS A 3 -1.798 11.871 -11.995 1.00 0.00 C ATOM 44 CG LYS A 3 -3.289 12.034 -12.197 1.00 0.00 C ATOM 45 CD LYS A 3 -3.916 10.850 -12.894 1.00 0.00 C ATOM 46 CE LYS A 3 -5.393 11.101 -13.162 1.00 0.00 C ATOM 47 NZ LYS A 3 -5.625 12.284 -14.025 1.00 0.00 N ATOM 0 H LYS A 3 0.683 12.085 -11.425 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.443 13.931 -12.254 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -1.351 11.516 -12.923 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.624 11.102 -11.243 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.769 12.176 -11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.476 12.935 -12.781 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.398 10.660 -13.834 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.800 9.957 -12.280 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.827 10.220 -13.635 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.911 11.241 -12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.601 12.266 -14.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.475 13.152 -13.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.962 12.265 -14.826 1.00 0.00 H new ATOM 61 N HIS A 4 -2.655 14.034 -9.902 1.00 0.00 N ATOM 62 CA HIS A 4 -3.009 14.583 -8.613 1.00 0.00 C ATOM 63 C HIS A 4 -3.207 13.465 -7.602 1.00 0.00 C ATOM 64 O HIS A 4 -4.170 12.713 -7.676 1.00 0.00 O ATOM 65 CB HIS A 4 -4.264 15.456 -8.726 1.00 0.00 C ATOM 66 CG HIS A 4 -4.279 16.606 -7.769 1.00 0.00 C ATOM 67 ND1 HIS A 4 -5.305 17.524 -7.701 1.00 0.00 N ATOM 68 CD2 HIS A 4 -3.351 17.026 -6.888 1.00 0.00 C ATOM 69 CE1 HIS A 4 -4.997 18.453 -6.823 1.00 0.00 C ATOM 70 NE2 HIS A 4 -3.821 18.171 -6.320 1.00 0.00 N ATOM 0 H HIS A 4 -3.416 14.006 -10.580 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.193 15.216 -8.264 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.340 15.839 -9.744 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -5.144 14.837 -8.552 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.409 16.544 -6.672 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.609 19.303 -6.561 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -3.334 18.722 -5.614 1.00 0.00 H new ATOM 79 N GLY A 5 -2.282 13.340 -6.683 1.00 0.00 N ATOM 80 CA GLY A 5 -2.381 12.302 -5.715 1.00 0.00 C ATOM 81 C GLY A 5 -1.682 12.631 -4.434 1.00 0.00 C ATOM 82 O GLY A 5 -0.797 13.482 -4.413 1.00 0.00 O ATOM 0 H GLY A 5 -1.464 13.942 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.433 12.104 -5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.959 11.386 -6.128 1.00 0.00 H new ATOM 86 N LYS A 6 -2.073 11.960 -3.377 1.00 0.00 N ATOM 87 CA LYS A 6 -1.495 12.162 -2.056 1.00 0.00 C ATOM 88 C LYS A 6 -0.515 11.045 -1.742 1.00 0.00 C ATOM 89 O LYS A 6 -0.663 9.924 -2.233 1.00 0.00 O ATOM 90 CB LYS A 6 -2.570 12.154 -0.930 1.00 0.00 C ATOM 91 CG LYS A 6 -3.523 13.358 -0.814 1.00 0.00 C ATOM 92 CD LYS A 6 -4.505 13.492 -1.968 1.00 0.00 C ATOM 93 CE LYS A 6 -5.582 14.536 -1.654 1.00 0.00 C ATOM 94 NZ LYS A 6 -5.013 15.877 -1.369 1.00 0.00 N ATOM 0 H LYS A 6 -2.806 11.252 -3.402 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.005 13.136 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.180 11.260 -1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.051 12.049 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.084 13.274 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.931 14.271 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.970 13.777 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.974 12.528 -2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.269 14.609 -2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.166 14.203 -0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.783 16.573 -1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.488 15.848 -0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.369 16.152 -2.138 1.00 0.00 H new ATOM 108 N TYR A 7 0.477 11.350 -0.945 1.00 0.00 N ATOM 109 CA TYR A 7 1.371 10.342 -0.424 1.00 0.00 C ATOM 110 C TYR A 7 0.901 9.982 0.954 1.00 0.00 C ATOM 111 O TYR A 7 0.907 10.829 1.858 1.00 0.00 O ATOM 112 CB TYR A 7 2.821 10.829 -0.352 1.00 0.00 C ATOM 113 CG TYR A 7 3.497 10.987 -1.682 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.135 9.907 -2.277 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.512 12.206 -2.339 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.770 10.038 -3.491 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.142 12.350 -3.556 1.00 0.00 C ATOM 118 CZ TYR A 7 4.772 11.269 -4.127 1.00 0.00 C ATOM 119 OH TYR A 7 5.388 11.412 -5.349 1.00 0.00 O ATOM 0 H TYR A 7 0.689 12.299 -0.639 1.00 0.00 H new ATOM 0 HA TYR A 7 1.355 9.483 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.843 11.787 0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.396 10.127 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.133 8.949 -1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.022 13.057 -1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.262 9.190 -3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.141 13.306 -4.058 1.00 0.00 H new ATOM 0 HH TYR A 7 5.296 12.338 -5.655 1.00 0.00 H new ATOM 129 N VAL A 8 0.473 8.774 1.119 1.00 0.00 N ATOM 130 CA VAL A 8 -0.035 8.329 2.385 1.00 0.00 C ATOM 131 C VAL A 8 0.722 7.096 2.820 1.00 0.00 C ATOM 132 O VAL A 8 1.609 6.607 2.096 1.00 0.00 O ATOM 133 CB VAL A 8 -1.570 8.022 2.342 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.372 9.238 1.895 1.00 0.00 C ATOM 135 CG2 VAL A 8 -1.878 6.822 1.463 1.00 0.00 C ATOM 0 H VAL A 8 0.463 8.065 0.385 1.00 0.00 H new ATOM 0 HA VAL A 8 0.109 9.138 3.101 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.873 7.776 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.433 8.988 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.205 10.060 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.053 9.537 0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.953 6.641 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.539 7.019 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.363 5.944 1.853 1.00 0.00 H new ATOM 145 N TYR A 9 0.389 6.605 3.974 1.00 0.00 N ATOM 146 CA TYR A 9 1.002 5.431 4.499 1.00 0.00 C ATOM 147 C TYR A 9 -0.056 4.395 4.732 1.00 0.00 C ATOM 148 O TYR A 9 -1.133 4.701 5.231 1.00 0.00 O ATOM 149 CB TYR A 9 1.755 5.739 5.801 1.00 0.00 C ATOM 150 CG TYR A 9 2.930 6.663 5.617 1.00 0.00 C ATOM 151 CD1 TYR A 9 4.177 6.160 5.283 1.00 0.00 C ATOM 152 CD2 TYR A 9 2.792 8.039 5.762 1.00 0.00 C ATOM 153 CE1 TYR A 9 5.252 6.996 5.091 1.00 0.00 C ATOM 154 CE2 TYR A 9 3.867 8.881 5.575 1.00 0.00 C ATOM 155 CZ TYR A 9 5.094 8.353 5.237 1.00 0.00 C ATOM 156 OH TYR A 9 6.165 9.189 5.032 1.00 0.00 O ATOM 0 H TYR A 9 -0.322 7.014 4.580 1.00 0.00 H new ATOM 0 HA TYR A 9 1.731 5.054 3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.062 6.185 6.514 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.105 4.804 6.238 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.307 5.094 5.172 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.830 8.453 6.025 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.216 6.588 4.827 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.748 9.948 5.693 1.00 0.00 H new ATOM 0 HH TYR A 9 5.887 10.118 5.174 1.00 0.00 H new ATOM 166 N ILE A 10 0.206 3.199 4.328 1.00 0.00 N ATOM 167 CA ILE A 10 -0.728 2.134 4.556 1.00 0.00 C ATOM 168 C ILE A 10 -0.421 1.508 5.888 1.00 0.00 C ATOM 169 O ILE A 10 0.742 1.157 6.177 1.00 0.00 O ATOM 170 CB ILE A 10 -0.710 1.065 3.427 1.00 0.00 C ATOM 171 CG1 ILE A 10 -0.989 1.709 2.061 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.699 -0.066 3.704 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.278 2.509 1.998 1.00 0.00 C ATOM 0 H ILE A 10 1.058 2.927 3.837 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.734 2.554 4.555 1.00 0.00 H new ATOM 0 HB ILE A 10 0.289 0.629 3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.156 2.364 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.024 0.926 1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.657 -0.793 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.439 -0.555 4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.708 0.342 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.397 2.929 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.122 1.857 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.241 3.317 2.729 1.00 0.00 H new ATOM 185 N ASP A 11 -1.443 1.395 6.699 1.00 0.00 N ATOM 186 CA ASP A 11 -1.336 0.869 8.031 1.00 0.00 C ATOM 187 C ASP A 11 -1.123 -0.626 7.994 1.00 0.00 C ATOM 188 O ASP A 11 -2.069 -1.414 7.879 1.00 0.00 O ATOM 189 CB ASP A 11 -2.567 1.259 8.890 1.00 0.00 C ATOM 190 CG ASP A 11 -2.546 0.712 10.319 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.920 1.326 11.200 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.195 -0.309 10.585 1.00 0.00 O ATOM 0 H ASP A 11 -2.391 1.673 6.444 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.464 1.315 8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.634 2.346 8.932 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.469 0.903 8.392 1.00 0.00 H new ATOM 197 N LEU A 12 0.140 -0.994 7.930 1.00 0.00 N ATOM 198 CA LEU A 12 0.549 -2.372 8.048 1.00 0.00 C ATOM 199 C LEU A 12 0.444 -2.705 9.515 1.00 0.00 C ATOM 200 O LEU A 12 0.103 -3.818 9.905 1.00 0.00 O ATOM 201 CB LEU A 12 2.001 -2.535 7.603 1.00 0.00 C ATOM 202 CG LEU A 12 2.379 -2.008 6.219 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.872 -2.195 5.983 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.577 -2.704 5.136 1.00 0.00 C ATOM 0 H LEU A 12 0.912 -0.341 7.794 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.069 -3.021 7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.635 -2.038 8.337 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.246 -3.597 7.637 1.00 0.00 H new ATOM 0 HG LEU A 12 2.145 -0.944 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.134 -1.817 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.432 -1.647 6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.120 -3.255 6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.865 -2.311 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.775 -3.775 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.514 -2.526 5.299 1.00 0.00 H new ATOM 216 N ASN A 13 0.795 -1.677 10.319 1.00 0.00 N ATOM 217 CA ASN A 13 0.665 -1.635 11.792 1.00 0.00 C ATOM 218 C ASN A 13 1.724 -2.497 12.487 1.00 0.00 C ATOM 219 O ASN A 13 1.922 -2.418 13.690 1.00 0.00 O ATOM 220 CB ASN A 13 -0.759 -2.052 12.221 1.00 0.00 C ATOM 221 CG ASN A 13 -1.148 -1.550 13.592 1.00 0.00 C ATOM 222 OD1 ASN A 13 -0.901 -2.194 14.612 1.00 0.00 O ATOM 223 ND2 ASN A 13 -1.791 -0.410 13.621 1.00 0.00 N ATOM 0 H ASN A 13 1.194 -0.817 9.943 1.00 0.00 H new ATOM 0 HA ASN A 13 0.836 -0.606 12.108 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.475 -1.677 11.489 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.830 -3.140 12.208 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.107 -0.025 14.511 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.976 0.093 12.753 1.00 0.00 H new ATOM 230 N ASN A 14 2.468 -3.234 11.705 1.00 0.00 N ATOM 231 CA ASN A 14 3.444 -4.227 12.186 1.00 0.00 C ATOM 232 C ASN A 14 4.795 -3.596 12.533 1.00 0.00 C ATOM 233 O ASN A 14 5.796 -4.287 12.664 1.00 0.00 O ATOM 234 CB ASN A 14 3.647 -5.317 11.113 1.00 0.00 C ATOM 235 CG ASN A 14 4.305 -4.792 9.840 1.00 0.00 C ATOM 236 OD1 ASN A 14 4.187 -3.630 9.501 1.00 0.00 O ATOM 237 ND2 ASN A 14 4.993 -5.641 9.137 1.00 0.00 N ATOM 0 H ASN A 14 2.425 -3.173 10.688 1.00 0.00 H new ATOM 0 HA ASN A 14 3.040 -4.663 13.100 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.260 -6.117 11.528 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.681 -5.754 10.861 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.451 -5.339 8.277 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.075 -6.610 9.445 1.00 0.00 H new ATOM 244 N GLY A 15 4.813 -2.305 12.734 1.00 0.00 N ATOM 245 CA GLY A 15 6.063 -1.645 13.059 1.00 0.00 C ATOM 246 C GLY A 15 6.649 -0.900 11.902 1.00 0.00 C ATOM 247 O GLY A 15 7.585 -0.125 12.074 1.00 0.00 O ATOM 0 H GLY A 15 3.998 -1.694 12.682 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.898 -0.952 13.884 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.780 -2.389 13.406 1.00 0.00 H new ATOM 251 N LYS A 16 6.116 -1.121 10.741 1.00 0.00 N ATOM 252 CA LYS A 16 6.536 -0.422 9.563 1.00 0.00 C ATOM 253 C LYS A 16 5.329 -0.103 8.725 1.00 0.00 C ATOM 254 O LYS A 16 4.283 -0.734 8.893 1.00 0.00 O ATOM 255 CB LYS A 16 7.621 -1.210 8.794 1.00 0.00 C ATOM 256 CG LYS A 16 7.318 -2.676 8.519 1.00 0.00 C ATOM 257 CD LYS A 16 8.537 -3.362 7.915 1.00 0.00 C ATOM 258 CE LYS A 16 8.326 -4.855 7.740 1.00 0.00 C ATOM 259 NZ LYS A 16 9.538 -5.532 7.221 1.00 0.00 N ATOM 0 H LYS A 16 5.370 -1.798 10.581 1.00 0.00 H new ATOM 0 HA LYS A 16 7.008 0.520 9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.796 -0.711 7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.551 -1.152 9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.032 -3.175 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.471 -2.758 7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.763 -2.913 6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.402 -3.192 8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.047 -5.296 8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.495 -5.026 7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.350 -6.549 7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.791 -5.130 6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.325 -5.392 7.886 1.00 0.00 H new ATOM 273 N TYR A 17 5.430 0.902 7.905 1.00 0.00 N ATOM 274 CA TYR A 17 4.325 1.348 7.073 1.00 0.00 C ATOM 275 C TYR A 17 4.802 1.522 5.665 1.00 0.00 C ATOM 276 O TYR A 17 5.942 1.899 5.443 1.00 0.00 O ATOM 277 CB TYR A 17 3.729 2.679 7.585 1.00 0.00 C ATOM 278 CG TYR A 17 2.808 2.574 8.798 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.223 1.985 9.979 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.513 3.067 8.746 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.387 1.888 11.061 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.673 2.973 9.834 1.00 0.00 C ATOM 283 CZ TYR A 17 1.121 2.381 10.986 1.00 0.00 C ATOM 284 OH TYR A 17 0.296 2.272 12.071 1.00 0.00 O ATOM 0 H TYR A 17 6.284 1.447 7.786 1.00 0.00 H new ATOM 0 HA TYR A 17 3.542 0.591 7.115 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.551 3.351 7.834 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.173 3.143 6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.227 1.593 10.050 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.157 3.532 7.838 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.733 1.421 11.971 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.332 3.363 9.779 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.484 1.728 11.835 1.00 0.00 H new ATOM 294 N VAL A 18 3.947 1.273 4.720 1.00 0.00 N ATOM 295 CA VAL A 18 4.325 1.402 3.338 1.00 0.00 C ATOM 296 C VAL A 18 3.818 2.725 2.799 1.00 0.00 C ATOM 297 O VAL A 18 2.676 3.119 3.060 1.00 0.00 O ATOM 298 CB VAL A 18 3.849 0.187 2.472 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.365 -0.032 2.586 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.235 0.359 1.016 1.00 0.00 C ATOM 0 H VAL A 18 2.983 0.979 4.876 1.00 0.00 H new ATOM 0 HA VAL A 18 5.413 1.393 3.275 1.00 0.00 H new ATOM 0 HB VAL A 18 4.356 -0.694 2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.075 -0.884 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.105 -0.230 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.838 0.859 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.889 -0.502 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.775 1.265 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.319 0.438 0.934 1.00 0.00 H new ATOM 310 N LYS A 19 4.683 3.420 2.107 1.00 0.00 N ATOM 311 CA LYS A 19 4.389 4.726 1.601 1.00 0.00 C ATOM 312 C LYS A 19 3.939 4.602 0.170 1.00 0.00 C ATOM 313 O LYS A 19 4.680 4.104 -0.687 1.00 0.00 O ATOM 314 CB LYS A 19 5.633 5.595 1.721 1.00 0.00 C ATOM 315 CG LYS A 19 5.432 7.064 1.411 1.00 0.00 C ATOM 316 CD LYS A 19 6.680 7.829 1.777 1.00 0.00 C ATOM 317 CE LYS A 19 6.517 9.319 1.602 1.00 0.00 C ATOM 318 NZ LYS A 19 7.713 10.037 2.079 1.00 0.00 N ATOM 0 H LYS A 19 5.620 3.087 1.879 1.00 0.00 H new ATOM 0 HA LYS A 19 3.589 5.195 2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.022 5.505 2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.397 5.201 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.208 7.196 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.579 7.451 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.943 7.615 2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.509 7.482 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.344 9.549 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.640 9.660 2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.579 11.060 1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.861 9.833 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.544 9.725 1.537 1.00 0.00 H new ATOM 332 N VAL A 20 2.753 5.051 -0.091 1.00 0.00 N ATOM 333 CA VAL A 20 2.154 4.877 -1.374 1.00 0.00 C ATOM 334 C VAL A 20 1.547 6.199 -1.849 1.00 0.00 C ATOM 335 O VAL A 20 1.123 7.035 -1.039 1.00 0.00 O ATOM 336 CB VAL A 20 1.069 3.748 -1.304 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.063 4.124 -0.377 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.538 3.354 -2.676 1.00 0.00 C ATOM 0 H VAL A 20 2.171 5.550 0.582 1.00 0.00 H new ATOM 0 HA VAL A 20 2.914 4.575 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 20 1.570 2.871 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.797 3.318 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.328 4.289 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.539 5.037 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.210 2.569 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.084 4.222 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.359 2.988 -3.293 1.00 0.00 H new ATOM 348 N ARG A 21 1.566 6.406 -3.137 1.00 0.00 N ATOM 349 CA ARG A 21 0.972 7.564 -3.725 1.00 0.00 C ATOM 350 C ARG A 21 -0.372 7.169 -4.306 1.00 0.00 C ATOM 351 O ARG A 21 -0.456 6.294 -5.195 1.00 0.00 O ATOM 352 CB ARG A 21 1.888 8.173 -4.800 1.00 0.00 C ATOM 353 CG ARG A 21 1.338 9.448 -5.428 1.00 0.00 C ATOM 354 CD ARG A 21 2.353 10.107 -6.357 1.00 0.00 C ATOM 355 NE ARG A 21 2.734 9.268 -7.510 1.00 0.00 N ATOM 356 CZ ARG A 21 3.899 9.390 -8.186 1.00 0.00 C ATOM 357 NH1 ARG A 21 4.879 10.159 -7.714 1.00 0.00 N ATOM 358 NH2 ARG A 21 4.098 8.704 -9.302 1.00 0.00 N ATOM 0 H ARG A 21 1.997 5.770 -3.808 1.00 0.00 H new ATOM 0 HA ARG A 21 0.830 8.331 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.860 8.388 -4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.052 7.434 -5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.431 9.216 -5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.057 10.148 -4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.940 11.047 -6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.248 10.353 -5.786 1.00 0.00 H new ATOM 0 HE ARG A 21 2.077 8.551 -7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.754 10.662 -6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.754 10.245 -8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.371 8.081 -9.654 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.978 8.799 -9.809 1.00 0.00 H new ATOM 372 N ILE A 22 -1.401 7.774 -3.781 1.00 0.00 N ATOM 373 CA ILE A 22 -2.761 7.515 -4.186 1.00 0.00 C ATOM 374 C ILE A 22 -3.131 8.550 -5.208 1.00 0.00 C ATOM 375 O ILE A 22 -3.361 9.707 -4.851 1.00 0.00 O ATOM 376 CB ILE A 22 -3.747 7.670 -2.989 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.278 6.882 -1.757 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.169 7.260 -3.384 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.124 5.397 -1.972 1.00 0.00 C ATOM 0 H ILE A 22 -1.320 8.475 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.828 6.498 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.759 8.726 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.321 7.287 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.989 7.045 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.833 7.379 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.515 7.891 -4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.172 6.218 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.790 4.928 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.082 4.971 -2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.389 5.217 -2.756 1.00 0.00 H new ATOM 391 N LEU A 23 -3.134 8.175 -6.457 1.00 0.00 N ATOM 392 CA LEU A 23 -3.483 9.102 -7.501 1.00 0.00 C ATOM 393 C LEU A 23 -4.984 9.165 -7.577 1.00 0.00 C ATOM 394 O LEU A 23 -5.632 8.210 -7.998 1.00 0.00 O ATOM 395 CB LEU A 23 -2.888 8.650 -8.839 1.00 0.00 C ATOM 396 CG LEU A 23 -1.360 8.508 -8.881 1.00 0.00 C ATOM 397 CD1 LEU A 23 -0.911 7.957 -10.218 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.685 9.846 -8.609 1.00 0.00 C ATOM 0 H LEU A 23 -2.899 7.236 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.079 10.090 -7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.330 7.690 -9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.188 9.363 -9.607 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.065 7.807 -8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.175 7.864 -10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.360 6.977 -10.377 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.224 8.633 -11.014 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.397 9.721 -8.644 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.991 10.569 -9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.977 10.207 -7.623 1.00 0.00 H new ATOM 410 N LYS A 24 -5.528 10.272 -7.176 1.00 0.00 N ATOM 411 CA LYS A 24 -6.942 10.423 -7.089 1.00 0.00 C ATOM 412 C LYS A 24 -7.388 11.273 -8.255 1.00 0.00 C ATOM 413 O LYS A 24 -7.165 12.489 -8.282 1.00 0.00 O ATOM 414 CB LYS A 24 -7.291 11.108 -5.758 1.00 0.00 C ATOM 415 CG LYS A 24 -8.775 11.134 -5.404 1.00 0.00 C ATOM 416 CD LYS A 24 -9.045 12.040 -4.195 1.00 0.00 C ATOM 417 CE LYS A 24 -8.278 11.628 -2.929 1.00 0.00 C ATOM 418 NZ LYS A 24 -8.729 10.340 -2.342 1.00 0.00 N ATOM 0 H LYS A 24 -4.999 11.099 -6.899 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.445 9.457 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.753 10.602 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.925 12.134 -5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.349 11.487 -6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.117 10.122 -5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.778 13.065 -4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.113 12.034 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.217 11.555 -3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.384 12.413 -2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.112 10.087 -1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.708 10.436 -2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.683 9.594 -3.065 1.00 0.00 H new ATOM 432 N SER A 25 -8.006 10.650 -9.210 1.00 0.00 N ATOM 433 CA SER A 25 -8.423 11.341 -10.393 1.00 0.00 C ATOM 434 C SER A 25 -9.724 12.101 -10.151 1.00 0.00 C ATOM 435 O SER A 25 -10.824 11.566 -10.375 1.00 0.00 O ATOM 436 CB SER A 25 -8.591 10.360 -11.544 1.00 0.00 C ATOM 437 OG SER A 25 -7.485 9.462 -11.608 1.00 0.00 O ATOM 0 H SER A 25 -8.235 9.656 -9.194 1.00 0.00 H new ATOM 0 HA SER A 25 -7.651 12.064 -10.655 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.516 9.797 -11.416 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.677 10.906 -12.484 1.00 0.00 H new ATOM 0 HG SER A 25 -7.566 8.792 -10.898 1.00 0.00 H new ATOM 443 N ARG A 26 -9.599 13.307 -9.621 1.00 0.00 N ATOM 444 CA ARG A 26 -10.736 14.203 -9.409 1.00 0.00 C ATOM 445 C ARG A 26 -11.126 14.836 -10.731 1.00 0.00 C ATOM 446 O ARG A 26 -12.259 15.280 -10.928 1.00 0.00 O ATOM 447 CB ARG A 26 -10.399 15.272 -8.367 1.00 0.00 C ATOM 448 CG ARG A 26 -10.246 14.727 -6.950 1.00 0.00 C ATOM 449 CD ARG A 26 -11.582 14.227 -6.398 1.00 0.00 C ATOM 450 NE ARG A 26 -12.556 15.320 -6.280 1.00 0.00 N ATOM 451 CZ ARG A 26 -13.853 15.199 -5.972 1.00 0.00 C ATOM 452 NH1 ARG A 26 -14.392 14.000 -5.779 1.00 0.00 N ATOM 453 NH2 ARG A 26 -14.605 16.292 -5.852 1.00 0.00 N ATOM 0 H ARG A 26 -8.705 13.698 -9.323 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.580 13.629 -9.026 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.473 15.769 -8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.182 16.030 -8.372 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.522 13.912 -6.948 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.850 15.507 -6.299 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.980 13.452 -7.052 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.426 13.770 -5.421 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.210 16.264 -6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.817 13.162 -5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.381 13.917 -5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.192 17.214 -5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.594 16.207 -5.618 1.00 0.00 H new ATOM 467 N ASP A 27 -10.171 14.816 -11.646 1.00 0.00 N ATOM 468 CA ASP A 27 -10.336 15.270 -13.026 1.00 0.00 C ATOM 469 C ASP A 27 -11.355 14.400 -13.729 1.00 0.00 C ATOM 470 O ASP A 27 -12.043 14.836 -14.653 1.00 0.00 O ATOM 471 CB ASP A 27 -8.983 15.209 -13.765 1.00 0.00 C ATOM 472 CG ASP A 27 -8.301 13.854 -13.635 1.00 0.00 C ATOM 473 OD1 ASP A 27 -7.745 13.577 -12.555 1.00 0.00 O ATOM 474 OD2 ASP A 27 -8.279 13.055 -14.604 1.00 0.00 O ATOM 0 H ASP A 27 -9.231 14.474 -11.448 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.689 16.301 -13.026 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.140 15.432 -14.820 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.323 15.982 -13.371 1.00 0.00 H new ATOM 479 N ASP A 28 -11.458 13.179 -13.272 1.00 0.00 N ATOM 480 CA ASP A 28 -12.442 12.249 -13.773 1.00 0.00 C ATOM 481 C ASP A 28 -13.664 12.307 -12.869 1.00 0.00 C ATOM 482 O ASP A 28 -14.746 12.690 -13.291 1.00 0.00 O ATOM 483 CB ASP A 28 -11.870 10.826 -13.766 1.00 0.00 C ATOM 484 CG ASP A 28 -12.849 9.798 -14.291 1.00 0.00 C ATOM 485 OD1 ASP A 28 -13.790 9.423 -13.574 1.00 0.00 O ATOM 486 OD2 ASP A 28 -12.694 9.344 -15.434 1.00 0.00 O ATOM 0 H ASP A 28 -10.860 12.798 -12.539 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.713 12.514 -14.795 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.964 10.801 -14.371 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.582 10.560 -12.749 1.00 0.00 H new ATOM 491 N ASN A 29 -13.439 11.985 -11.611 1.00 0.00 N ATOM 492 CA ASN A 29 -14.464 11.948 -10.569 1.00 0.00 C ATOM 493 C ASN A 29 -13.778 11.525 -9.291 1.00 0.00 C ATOM 494 O ASN A 29 -13.517 12.334 -8.405 1.00 0.00 O ATOM 495 CB ASN A 29 -15.591 10.932 -10.902 1.00 0.00 C ATOM 496 CG ASN A 29 -16.648 10.797 -9.801 1.00 0.00 C ATOM 497 OD1 ASN A 29 -17.164 9.705 -9.562 1.00 0.00 O ATOM 498 ND2 ASN A 29 -17.011 11.882 -9.169 1.00 0.00 N ATOM 0 H ASN A 29 -12.512 11.733 -11.268 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.928 12.930 -10.481 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.080 11.237 -11.827 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.144 9.955 -11.085 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.740 11.838 -8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.566 12.773 -9.388 1.00 0.00 H new ATOM 505 N SER A 30 -13.449 10.254 -9.228 1.00 0.00 N ATOM 506 CA SER A 30 -12.707 9.660 -8.141 1.00 0.00 C ATOM 507 C SER A 30 -12.156 8.313 -8.584 1.00 0.00 C ATOM 508 O SER A 30 -12.681 7.270 -8.233 1.00 0.00 O ATOM 509 CB SER A 30 -13.542 9.509 -6.839 1.00 0.00 C ATOM 510 OG SER A 30 -13.935 10.778 -6.314 1.00 0.00 O ATOM 0 H SER A 30 -13.699 9.585 -9.956 1.00 0.00 H new ATOM 0 HA SER A 30 -11.889 10.338 -7.896 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.429 8.909 -7.043 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.958 8.971 -6.092 1.00 0.00 H new ATOM 0 HG SER A 30 -13.529 11.493 -6.847 1.00 0.00 H new ATOM 516 N VAL A 31 -11.184 8.354 -9.456 1.00 0.00 N ATOM 517 CA VAL A 31 -10.502 7.150 -9.878 1.00 0.00 C ATOM 518 C VAL A 31 -9.194 7.111 -9.157 1.00 0.00 C ATOM 519 O VAL A 31 -8.299 7.908 -9.447 1.00 0.00 O ATOM 520 CB VAL A 31 -10.249 7.099 -11.410 1.00 0.00 C ATOM 521 CG1 VAL A 31 -9.500 5.836 -11.794 1.00 0.00 C ATOM 522 CG2 VAL A 31 -11.553 7.180 -12.172 1.00 0.00 C ATOM 0 H VAL A 31 -10.842 9.210 -9.892 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.131 6.292 -9.643 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.635 7.960 -11.675 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.335 5.824 -12.871 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.539 5.812 -11.280 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.087 4.963 -11.507 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.352 7.143 -13.243 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.190 6.341 -11.893 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.058 8.115 -11.930 1.00 0.00 H new ATOM 532 N GLU A 32 -9.098 6.267 -8.191 1.00 0.00 N ATOM 533 CA GLU A 32 -7.911 6.186 -7.413 1.00 0.00 C ATOM 534 C GLU A 32 -7.022 5.090 -7.930 1.00 0.00 C ATOM 535 O GLU A 32 -7.338 3.898 -7.826 1.00 0.00 O ATOM 536 CB GLU A 32 -8.238 6.028 -5.938 1.00 0.00 C ATOM 537 CG GLU A 32 -9.100 7.166 -5.427 1.00 0.00 C ATOM 538 CD GLU A 32 -9.372 7.090 -3.966 1.00 0.00 C ATOM 539 OE1 GLU A 32 -10.191 6.255 -3.542 1.00 0.00 O ATOM 540 OE2 GLU A 32 -8.818 7.895 -3.214 1.00 0.00 O ATOM 0 H GLU A 32 -9.835 5.616 -7.918 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.359 7.121 -7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.755 5.081 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.313 5.986 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.608 8.113 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.047 7.165 -5.966 1.00 0.00 H new ATOM 547 N LYS A 33 -5.955 5.506 -8.547 1.00 0.00 N ATOM 548 CA LYS A 33 -4.985 4.616 -9.100 1.00 0.00 C ATOM 549 C LYS A 33 -3.831 4.550 -8.146 1.00 0.00 C ATOM 550 O LYS A 33 -3.341 5.584 -7.670 1.00 0.00 O ATOM 551 CB LYS A 33 -4.492 5.107 -10.462 1.00 0.00 C ATOM 552 CG LYS A 33 -5.591 5.311 -11.496 1.00 0.00 C ATOM 553 CD LYS A 33 -5.020 5.701 -12.856 1.00 0.00 C ATOM 554 CE LYS A 33 -4.211 6.994 -12.796 1.00 0.00 C ATOM 555 NZ LYS A 33 -3.620 7.327 -14.105 1.00 0.00 N ATOM 0 H LYS A 33 -5.733 6.493 -8.681 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.435 3.634 -9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.961 6.049 -10.324 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.771 4.389 -10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.173 4.394 -11.595 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.275 6.087 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.386 4.895 -13.226 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.835 5.818 -13.570 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.854 7.811 -12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.419 6.894 -12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.078 8.211 -14.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.987 6.558 -14.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.377 7.447 -14.807 1.00 0.00 H new ATOM 569 N TYR A 34 -3.402 3.381 -7.858 1.00 0.00 N ATOM 570 CA TYR A 34 -2.358 3.196 -6.914 1.00 0.00 C ATOM 571 C TYR A 34 -1.024 3.084 -7.630 1.00 0.00 C ATOM 572 O TYR A 34 -0.937 2.501 -8.724 1.00 0.00 O ATOM 573 CB TYR A 34 -2.671 1.985 -6.025 1.00 0.00 C ATOM 574 CG TYR A 34 -3.996 2.152 -5.274 1.00 0.00 C ATOM 575 CD1 TYR A 34 -5.208 1.760 -5.846 1.00 0.00 C ATOM 576 CD2 TYR A 34 -4.033 2.729 -4.019 1.00 0.00 C ATOM 577 CE1 TYR A 34 -6.407 1.943 -5.180 1.00 0.00 C ATOM 578 CE2 TYR A 34 -5.232 2.916 -3.352 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.409 2.525 -3.932 1.00 0.00 C ATOM 580 OH TYR A 34 -7.596 2.725 -3.258 1.00 0.00 O ATOM 0 H TYR A 34 -3.763 2.520 -8.269 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.286 4.062 -6.256 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.713 1.086 -6.639 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.863 1.843 -5.307 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.210 1.306 -6.826 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.111 3.039 -3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.335 1.631 -5.636 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.239 3.371 -2.373 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.414 3.145 -2.392 1.00 0.00 H new ATOM 590 N VAL A 35 -0.009 3.708 -7.055 1.00 0.00 N ATOM 591 CA VAL A 35 1.335 3.727 -7.626 1.00 0.00 C ATOM 592 C VAL A 35 1.960 2.299 -7.614 1.00 0.00 C ATOM 593 O VAL A 35 1.594 1.447 -6.787 1.00 0.00 O ATOM 594 CB VAL A 35 2.233 4.749 -6.852 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.560 4.276 -5.454 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.486 5.123 -7.614 1.00 0.00 C ATOM 0 H VAL A 35 -0.091 4.219 -6.176 1.00 0.00 H new ATOM 0 HA VAL A 35 1.272 4.048 -8.666 1.00 0.00 H new ATOM 0 HB VAL A 35 1.638 5.658 -6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.185 5.017 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.637 4.141 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.095 3.328 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.069 5.834 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.081 4.228 -7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.211 5.576 -8.566 1.00 0.00 H new ATOM 606 N LEU A 36 2.906 2.052 -8.511 1.00 0.00 N ATOM 607 CA LEU A 36 3.471 0.722 -8.685 1.00 0.00 C ATOM 608 C LEU A 36 4.515 0.383 -7.609 1.00 0.00 C ATOM 609 O LEU A 36 4.882 -0.772 -7.445 1.00 0.00 O ATOM 610 CB LEU A 36 4.076 0.574 -10.098 1.00 0.00 C ATOM 611 CG LEU A 36 4.589 -0.823 -10.492 1.00 0.00 C ATOM 612 CD1 LEU A 36 3.452 -1.835 -10.527 1.00 0.00 C ATOM 613 CD2 LEU A 36 5.305 -0.774 -11.828 1.00 0.00 C ATOM 0 H LEU A 36 3.299 2.760 -9.132 1.00 0.00 H new ATOM 0 HA LEU A 36 2.655 0.008 -8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.321 0.875 -10.824 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.904 1.277 -10.188 1.00 0.00 H new ATOM 0 HG LEU A 36 5.301 -1.145 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.844 -2.813 -10.808 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.991 -1.899 -9.541 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.706 -1.519 -11.257 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.660 -1.772 -12.088 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.617 -0.422 -12.597 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.154 -0.093 -11.761 1.00 0.00 H new ATOM 625 N THR A 37 4.918 1.345 -6.829 1.00 0.00 N ATOM 626 CA THR A 37 5.947 1.101 -5.840 1.00 0.00 C ATOM 627 C THR A 37 5.320 0.670 -4.493 1.00 0.00 C ATOM 628 O THR A 37 4.130 0.921 -4.240 1.00 0.00 O ATOM 629 CB THR A 37 6.885 2.345 -5.663 1.00 0.00 C ATOM 630 OG1 THR A 37 7.914 2.085 -4.690 1.00 0.00 O ATOM 631 CG2 THR A 37 6.097 3.591 -5.260 1.00 0.00 C ATOM 0 H THR A 37 4.558 2.299 -6.852 1.00 0.00 H new ATOM 0 HA THR A 37 6.568 0.281 -6.201 1.00 0.00 H new ATOM 0 HB THR A 37 7.352 2.531 -6.630 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.823 2.712 -3.942 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.780 4.433 -5.147 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.362 3.822 -6.031 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.586 3.408 -4.315 1.00 0.00 H new ATOM 639 N SER A 38 6.092 -0.059 -3.711 1.00 0.00 N ATOM 640 CA SER A 38 5.689 -0.554 -2.408 1.00 0.00 C ATOM 641 C SER A 38 6.754 -0.198 -1.352 1.00 0.00 C ATOM 642 O SER A 38 6.890 -0.890 -0.348 1.00 0.00 O ATOM 643 CB SER A 38 5.510 -2.076 -2.475 1.00 0.00 C ATOM 644 OG SER A 38 4.609 -2.449 -3.516 1.00 0.00 O ATOM 0 H SER A 38 7.040 -0.331 -3.970 1.00 0.00 H new ATOM 0 HA SER A 38 4.745 -0.089 -2.124 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.477 -2.551 -2.641 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.136 -2.442 -1.519 1.00 0.00 H new ATOM 0 HG SER A 38 4.517 -3.424 -3.535 1.00 0.00 H new ATOM 650 N HIS A 39 7.518 0.874 -1.604 1.00 0.00 N ATOM 651 CA HIS A 39 8.585 1.316 -0.670 1.00 0.00 C ATOM 652 C HIS A 39 8.066 1.559 0.762 1.00 0.00 C ATOM 653 O HIS A 39 7.131 2.338 0.990 1.00 0.00 O ATOM 654 CB HIS A 39 9.389 2.533 -1.200 1.00 0.00 C ATOM 655 CG HIS A 39 8.639 3.829 -1.369 1.00 0.00 C ATOM 656 ND1 HIS A 39 7.622 4.166 -2.181 1.00 0.00 N flip ATOM 657 CD2 HIS A 39 8.998 4.986 -0.724 1.00 0.00 C flip ATOM 658 CE1 HIS A 39 7.394 5.507 -2.028 1.00 0.00 C flip ATOM 659 NE2 HIS A 39 8.243 5.973 -1.139 1.00 0.00 N flip ATOM 0 H HIS A 39 7.425 1.453 -2.438 1.00 0.00 H new ATOM 0 HA HIS A 39 9.282 0.480 -0.616 1.00 0.00 H new ATOM 0 HB2 HIS A 39 10.222 2.710 -0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.817 2.261 -2.165 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.783 5.070 0.013 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.644 6.084 -2.549 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.304 6.941 -0.825 1.00 0.00 H new ATOM 668 N VAL A 40 8.690 0.890 1.701 1.00 0.00 N ATOM 669 CA VAL A 40 8.288 0.890 3.086 1.00 0.00 C ATOM 670 C VAL A 40 9.127 1.887 3.898 1.00 0.00 C ATOM 671 O VAL A 40 10.259 2.239 3.513 1.00 0.00 O ATOM 672 CB VAL A 40 8.474 -0.528 3.692 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.791 -0.694 5.042 1.00 0.00 C ATOM 674 CG2 VAL A 40 8.065 -1.630 2.732 1.00 0.00 C ATOM 0 H VAL A 40 9.513 0.316 1.518 1.00 0.00 H new ATOM 0 HA VAL A 40 7.239 1.183 3.132 1.00 0.00 H new ATOM 0 HB VAL A 40 9.545 -0.627 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.958 -1.706 5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.205 0.024 5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.721 -0.520 4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.215 -2.600 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.013 -1.513 2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.672 -1.570 1.829 1.00 0.00 H new ATOM 684 N SER A 41 8.560 2.357 4.967 1.00 0.00 N ATOM 685 CA SER A 41 9.212 3.196 5.926 1.00 0.00 C ATOM 686 C SER A 41 9.263 2.377 7.211 1.00 0.00 C ATOM 687 O SER A 41 8.317 1.637 7.503 1.00 0.00 O ATOM 688 CB SER A 41 8.408 4.497 6.137 1.00 0.00 C ATOM 689 OG SER A 41 9.092 5.404 6.998 1.00 0.00 O ATOM 0 H SER A 41 7.588 2.158 5.205 1.00 0.00 H new ATOM 0 HA SER A 41 10.209 3.493 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.228 4.974 5.174 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.433 4.258 6.561 1.00 0.00 H new ATOM 0 HG SER A 41 8.556 6.217 7.109 1.00 0.00 H new ATOM 695 N LYS A 42 10.322 2.512 7.986 1.00 0.00 N ATOM 696 CA LYS A 42 10.530 1.645 9.154 1.00 0.00 C ATOM 697 C LYS A 42 9.905 2.270 10.382 1.00 0.00 C ATOM 698 O LYS A 42 10.160 1.856 11.510 1.00 0.00 O ATOM 699 CB LYS A 42 12.025 1.460 9.404 1.00 0.00 C ATOM 700 CG LYS A 42 12.835 1.242 8.140 1.00 0.00 C ATOM 701 CD LYS A 42 14.293 0.905 8.432 1.00 0.00 C ATOM 702 CE LYS A 42 14.445 -0.432 9.156 1.00 0.00 C ATOM 703 NZ LYS A 42 13.897 -1.561 8.369 1.00 0.00 N ATOM 0 H LYS A 42 11.054 3.207 7.838 1.00 0.00 H new ATOM 0 HA LYS A 42 10.065 0.679 8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.408 2.338 9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.170 0.608 10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.388 0.434 7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.789 2.140 7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.851 0.874 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.732 1.697 9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.500 -0.613 9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.936 -0.382 10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.212 -2.460 8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.858 -1.520 8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.235 -1.497 7.388 1.00 0.00 H new ATOM 717 N ASN A 43 9.082 3.237 10.151 1.00 0.00 N ATOM 718 CA ASN A 43 8.479 4.011 11.196 1.00 0.00 C ATOM 719 C ASN A 43 7.001 3.769 11.230 1.00 0.00 C ATOM 720 O ASN A 43 6.417 3.310 10.245 1.00 0.00 O ATOM 721 CB ASN A 43 8.725 5.496 10.917 1.00 0.00 C ATOM 722 CG ASN A 43 10.184 5.889 10.996 1.00 0.00 C ATOM 723 OD1 ASN A 43 10.935 5.405 11.847 1.00 0.00 O ATOM 724 ND2 ASN A 43 10.624 6.676 10.054 1.00 0.00 N ATOM 0 H ASN A 43 8.801 3.521 9.213 1.00 0.00 H new ATOM 0 HA ASN A 43 8.915 3.722 12.152 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.344 5.740 9.925 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.157 6.091 11.632 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.616 6.908 10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.976 7.059 9.366 1.00 0.00 H new ATOM 731 N ARG A 44 6.398 4.053 12.355 1.00 0.00 N ATOM 732 CA ARG A 44 4.960 4.037 12.475 1.00 0.00 C ATOM 733 C ARG A 44 4.486 5.481 12.540 1.00 0.00 C ATOM 734 O ARG A 44 4.508 6.079 13.625 1.00 0.00 O ATOM 735 CB ARG A 44 4.469 3.330 13.750 1.00 0.00 C ATOM 736 CG ARG A 44 4.723 1.838 13.875 1.00 0.00 C ATOM 737 CD ARG A 44 4.046 1.350 15.145 1.00 0.00 C ATOM 738 NE ARG A 44 4.041 -0.107 15.324 1.00 0.00 N ATOM 739 CZ ARG A 44 3.331 -0.733 16.281 1.00 0.00 C ATOM 740 NH1 ARG A 44 2.569 -0.025 17.101 1.00 0.00 N ATOM 741 NH2 ARG A 44 3.371 -2.063 16.399 1.00 0.00 N ATOM 0 H ARG A 44 6.888 4.302 13.214 1.00 0.00 H new ATOM 0 HA ARG A 44 4.563 3.493 11.618 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.933 3.821 14.605 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.395 3.495 13.832 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.329 1.310 13.006 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.793 1.636 13.912 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.543 1.805 16.002 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.015 1.705 15.149 1.00 0.00 H new ATOM 0 HE ARG A 44 4.605 -0.674 14.691 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.522 0.989 17.005 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.029 -0.494 17.828 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.944 -2.615 15.760 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.829 -2.527 17.128 1.00 0.00 H new ATOM 755 N PRO A 45 4.131 6.098 11.404 1.00 0.00 N ATOM 756 CA PRO A 45 3.654 7.468 11.392 1.00 0.00 C ATOM 757 C PRO A 45 2.256 7.551 11.986 1.00 0.00 C ATOM 758 O PRO A 45 1.347 6.804 11.584 1.00 0.00 O ATOM 759 CB PRO A 45 3.622 7.841 9.895 1.00 0.00 C ATOM 760 CG PRO A 45 4.361 6.746 9.206 1.00 0.00 C ATOM 761 CD PRO A 45 4.167 5.535 10.056 1.00 0.00 C ATOM 0 HA PRO A 45 4.283 8.136 11.981 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.598 7.916 9.529 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.095 8.807 9.719 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.974 6.585 8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.419 6.989 9.106 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.244 5.010 9.810 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.981 4.820 9.936 1.00 0.00 H new ATOM 769 N LYS A 46 2.090 8.423 12.937 1.00 0.00 N ATOM 770 CA LYS A 46 0.821 8.604 13.567 1.00 0.00 C ATOM 771 C LYS A 46 0.116 9.777 12.921 1.00 0.00 C ATOM 772 O LYS A 46 -1.049 9.682 12.543 1.00 0.00 O ATOM 773 CB LYS A 46 0.990 8.834 15.069 1.00 0.00 C ATOM 774 CG LYS A 46 -0.325 8.921 15.833 1.00 0.00 C ATOM 775 CD LYS A 46 -0.158 9.189 17.339 1.00 0.00 C ATOM 776 CE LYS A 46 0.443 8.011 18.149 1.00 0.00 C ATOM 777 NZ LYS A 46 1.887 7.768 17.897 1.00 0.00 N ATOM 0 H LYS A 46 2.831 9.026 13.295 1.00 0.00 H new ATOM 0 HA LYS A 46 0.220 7.704 13.438 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.588 8.023 15.486 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.551 9.756 15.224 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.934 9.714 15.399 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.873 7.989 15.699 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.480 10.063 17.469 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.132 9.440 17.759 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.300 8.206 19.212 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.112 7.103 17.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.368 7.571 18.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.996 6.953 17.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.309 8.610 17.456 1.00 0.00 H new ATOM 791 N ASN A 47 0.830 10.866 12.753 1.00 0.00 N ATOM 792 CA ASN A 47 0.242 12.040 12.152 1.00 0.00 C ATOM 793 C ASN A 47 0.545 12.114 10.683 1.00 0.00 C ATOM 794 O ASN A 47 1.482 12.794 10.246 1.00 0.00 O ATOM 795 CB ASN A 47 0.601 13.350 12.873 1.00 0.00 C ATOM 796 CG ASN A 47 -0.032 13.452 14.248 1.00 0.00 C ATOM 797 OD1 ASN A 47 0.553 13.045 15.249 1.00 0.00 O ATOM 798 ND2 ASN A 47 -1.231 13.981 14.309 1.00 0.00 N ATOM 0 H ASN A 47 1.809 10.963 13.021 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.836 11.927 12.271 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.684 13.422 12.970 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.278 14.195 12.265 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.706 14.065 15.208 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.688 14.309 13.458 1.00 0.00 H new ATOM 805 N ALA A 48 -0.188 11.327 9.956 1.00 0.00 N ATOM 806 CA ALA A 48 -0.172 11.249 8.527 1.00 0.00 C ATOM 807 C ALA A 48 -1.410 10.489 8.173 1.00 0.00 C ATOM 808 O ALA A 48 -2.010 9.868 9.064 1.00 0.00 O ATOM 809 CB ALA A 48 1.063 10.500 8.029 1.00 0.00 C ATOM 0 H ALA A 48 -0.857 10.680 10.373 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.140 12.238 8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.048 10.457 6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.962 11.021 8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.062 9.487 8.432 1.00 0.00 H new ATOM 815 N ILE A 49 -1.819 10.508 6.948 1.00 0.00 N ATOM 816 CA ILE A 49 -3.001 9.783 6.589 1.00 0.00 C ATOM 817 C ILE A 49 -2.633 8.337 6.346 1.00 0.00 C ATOM 818 O ILE A 49 -1.830 8.015 5.459 1.00 0.00 O ATOM 819 CB ILE A 49 -3.726 10.373 5.351 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.141 11.844 5.601 1.00 0.00 C ATOM 821 CG2 ILE A 49 -4.948 9.523 4.994 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.099 12.051 6.769 1.00 0.00 C ATOM 0 H ILE A 49 -1.363 11.009 6.185 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.704 9.865 7.418 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.033 10.357 4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.242 12.435 5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.606 12.234 4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.446 9.950 4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.630 8.505 4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.639 9.508 5.837 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.332 13.112 6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.018 11.493 6.589 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.633 11.697 7.689 1.00 0.00 H new ATOM 834 N VAL A 50 -3.171 7.489 7.165 1.00 0.00 N ATOM 835 CA VAL A 50 -2.930 6.087 7.070 1.00 0.00 C ATOM 836 C VAL A 50 -4.204 5.361 6.678 1.00 0.00 C ATOM 837 O VAL A 50 -5.292 5.645 7.212 1.00 0.00 O ATOM 838 CB VAL A 50 -2.314 5.482 8.375 1.00 0.00 C ATOM 839 CG1 VAL A 50 -0.958 6.103 8.664 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.227 5.664 9.574 1.00 0.00 C ATOM 0 H VAL A 50 -3.796 7.755 7.926 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.183 5.943 6.289 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.194 4.412 8.204 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.546 5.669 9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.283 5.906 7.831 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.071 7.179 8.793 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.759 5.229 10.457 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.400 6.727 9.741 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.178 5.167 9.386 1.00 0.00 H new ATOM 850 N ILE A 51 -4.087 4.494 5.717 1.00 0.00 N ATOM 851 CA ILE A 51 -5.201 3.703 5.251 1.00 0.00 C ATOM 852 C ILE A 51 -4.927 2.260 5.645 1.00 0.00 C ATOM 853 O ILE A 51 -3.818 1.778 5.454 1.00 0.00 O ATOM 854 CB ILE A 51 -5.362 3.818 3.704 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.477 5.300 3.287 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.593 3.042 3.233 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.588 5.525 1.790 1.00 0.00 C ATOM 0 H ILE A 51 -3.212 4.310 5.227 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.128 4.060 5.699 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.479 3.387 3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.351 5.734 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.605 5.838 3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.689 3.134 2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.484 1.991 3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.484 3.448 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.665 6.593 1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.703 5.124 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.476 5.019 1.411 1.00 0.00 H new ATOM 869 N LYS A 52 -5.899 1.593 6.213 1.00 0.00 N ATOM 870 CA LYS A 52 -5.714 0.235 6.700 1.00 0.00 C ATOM 871 C LYS A 52 -5.687 -0.737 5.519 1.00 0.00 C ATOM 872 O LYS A 52 -6.486 -0.596 4.594 1.00 0.00 O ATOM 873 CB LYS A 52 -6.848 -0.101 7.676 1.00 0.00 C ATOM 874 CG LYS A 52 -6.661 -1.377 8.475 1.00 0.00 C ATOM 875 CD LYS A 52 -7.784 -1.532 9.491 1.00 0.00 C ATOM 876 CE LYS A 52 -7.582 -2.738 10.398 1.00 0.00 C ATOM 877 NZ LYS A 52 -6.316 -2.675 11.169 1.00 0.00 N ATOM 0 H LYS A 52 -6.838 1.966 6.354 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.764 0.146 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.964 0.730 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.778 -0.178 7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.647 -2.236 7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.699 -1.356 8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.847 -0.630 10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.734 -1.630 8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.420 -2.810 11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.589 -3.646 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.512 -2.855 12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.655 -3.394 10.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.892 -1.731 11.063 1.00 0.00 H new ATOM 891 N MET A 53 -4.795 -1.750 5.591 1.00 0.00 N ATOM 892 CA MET A 53 -4.553 -2.724 4.481 1.00 0.00 C ATOM 893 C MET A 53 -5.822 -3.350 3.945 1.00 0.00 C ATOM 894 O MET A 53 -5.951 -3.569 2.748 1.00 0.00 O ATOM 895 CB MET A 53 -3.609 -3.861 4.900 1.00 0.00 C ATOM 896 CG MET A 53 -2.188 -3.444 5.221 1.00 0.00 C ATOM 897 SD MET A 53 -1.107 -4.857 5.541 1.00 0.00 S ATOM 898 CE MET A 53 -1.924 -5.628 6.929 1.00 0.00 C ATOM 0 H MET A 53 -4.219 -1.923 6.415 1.00 0.00 H new ATOM 0 HA MET A 53 -4.094 -2.125 3.695 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.030 -4.356 5.775 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.580 -4.600 4.099 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.786 -2.864 4.390 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.193 -2.790 6.093 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.241 -6.328 7.411 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.224 -4.863 7.645 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.806 -6.165 6.580 1.00 0.00 H new ATOM 908 N ASP A 54 -6.765 -3.583 4.834 1.00 0.00 N ATOM 909 CA ASP A 54 -8.024 -4.258 4.504 1.00 0.00 C ATOM 910 C ASP A 54 -8.847 -3.481 3.463 1.00 0.00 C ATOM 911 O ASP A 54 -9.623 -4.057 2.703 1.00 0.00 O ATOM 912 CB ASP A 54 -8.844 -4.470 5.781 1.00 0.00 C ATOM 913 CG ASP A 54 -10.108 -5.265 5.546 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.018 -6.509 5.362 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.209 -4.673 5.541 1.00 0.00 O ATOM 0 H ASP A 54 -6.689 -3.312 5.814 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.777 -5.222 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.230 -4.985 6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.105 -3.500 6.204 1.00 0.00 H new ATOM 920 N ASN A 55 -8.626 -2.186 3.403 1.00 0.00 N ATOM 921 CA ASN A 55 -9.363 -1.308 2.505 1.00 0.00 C ATOM 922 C ASN A 55 -8.729 -1.279 1.107 1.00 0.00 C ATOM 923 O ASN A 55 -9.364 -0.874 0.121 1.00 0.00 O ATOM 924 CB ASN A 55 -9.415 0.109 3.114 1.00 0.00 C ATOM 925 CG ASN A 55 -10.162 1.120 2.263 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.382 1.237 2.364 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.443 1.884 1.461 1.00 0.00 N ATOM 0 H ASN A 55 -7.930 -1.706 3.974 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.377 -1.691 2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.888 0.055 4.095 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.396 0.464 3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.898 2.602 0.897 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.433 1.756 1.405 1.00 0.00 H new ATOM 934 N LEU A 56 -7.506 -1.741 1.011 1.00 0.00 N ATOM 935 CA LEU A 56 -6.778 -1.674 -0.234 1.00 0.00 C ATOM 936 C LEU A 56 -7.183 -2.788 -1.177 1.00 0.00 C ATOM 937 O LEU A 56 -7.477 -3.912 -0.734 1.00 0.00 O ATOM 938 CB LEU A 56 -5.241 -1.660 -0.023 1.00 0.00 C ATOM 939 CG LEU A 56 -4.610 -0.339 0.473 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.860 0.793 -0.508 1.00 0.00 C ATOM 941 CD2 LEU A 56 -5.114 0.037 1.845 1.00 0.00 C ATOM 0 H LEU A 56 -6.992 -2.169 1.782 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.047 -0.724 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.991 -2.444 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.767 -1.927 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.535 -0.505 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.404 1.708 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.422 0.541 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.933 0.943 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.648 0.971 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.196 0.164 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.862 -0.752 2.554 1.00 0.00 H new ATOM 953 N PRO A 57 -7.263 -2.482 -2.489 1.00 0.00 N ATOM 954 CA PRO A 57 -7.577 -3.467 -3.519 1.00 0.00 C ATOM 955 C PRO A 57 -6.579 -4.620 -3.491 1.00 0.00 C ATOM 956 O PRO A 57 -5.409 -4.442 -3.078 1.00 0.00 O ATOM 957 CB PRO A 57 -7.439 -2.679 -4.822 1.00 0.00 C ATOM 958 CG PRO A 57 -7.674 -1.276 -4.432 1.00 0.00 C ATOM 959 CD PRO A 57 -7.081 -1.139 -3.068 1.00 0.00 C ATOM 0 HA PRO A 57 -8.563 -3.913 -3.387 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.450 -2.808 -5.261 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.164 -3.011 -5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.204 -0.589 -5.136 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.739 -1.044 -4.423 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.029 -0.858 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.591 -0.375 -2.482 1.00 0.00 H new ATOM 967 N ILE A 58 -7.015 -5.784 -3.935 1.00 0.00 N ATOM 968 CA ILE A 58 -6.191 -6.972 -3.882 1.00 0.00 C ATOM 969 C ILE A 58 -4.891 -6.860 -4.666 1.00 0.00 C ATOM 970 O ILE A 58 -3.906 -7.437 -4.274 1.00 0.00 O ATOM 971 CB ILE A 58 -6.971 -8.309 -4.143 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.828 -8.288 -5.436 1.00 0.00 C ATOM 973 CG2 ILE A 58 -7.832 -8.661 -2.940 1.00 0.00 C ATOM 974 CD1 ILE A 58 -7.051 -8.377 -6.728 1.00 0.00 C ATOM 0 H ILE A 58 -7.941 -5.930 -4.338 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.882 -7.034 -2.839 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.215 -9.080 -4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.534 -9.118 -5.398 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.416 -7.370 -5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.367 -9.590 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.198 -8.785 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.549 -7.860 -2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.742 -8.354 -7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.365 -7.533 -6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.484 -9.308 -6.748 1.00 0.00 H new ATOM 986 N GLU A 59 -4.886 -6.063 -5.724 1.00 0.00 N ATOM 987 CA GLU A 59 -3.678 -5.822 -6.511 1.00 0.00 C ATOM 988 C GLU A 59 -2.636 -5.059 -5.697 1.00 0.00 C ATOM 989 O GLU A 59 -1.443 -5.341 -5.773 1.00 0.00 O ATOM 990 CB GLU A 59 -4.024 -5.058 -7.772 1.00 0.00 C ATOM 991 CG GLU A 59 -4.868 -5.859 -8.727 1.00 0.00 C ATOM 992 CD GLU A 59 -5.461 -5.022 -9.806 1.00 0.00 C ATOM 993 OE1 GLU A 59 -4.818 -4.817 -10.848 1.00 0.00 O ATOM 994 OE2 GLU A 59 -6.604 -4.569 -9.641 1.00 0.00 O ATOM 0 H GLU A 59 -5.711 -5.567 -6.062 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.250 -6.786 -6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.555 -4.145 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.104 -4.757 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.258 -6.644 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.667 -6.352 -8.174 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.097 -4.122 -4.887 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.208 -3.336 -4.053 1.00 0.00 C ATOM 1003 C VAL A 60 -1.620 -4.232 -2.978 1.00 0.00 C ATOM 1004 O VAL A 60 -0.403 -4.260 -2.773 1.00 0.00 O ATOM 1005 CB VAL A 60 -2.942 -2.144 -3.393 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -1.978 -1.280 -2.580 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.646 -1.313 -4.445 1.00 0.00 C ATOM 0 H VAL A 60 -4.085 -3.887 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.419 -2.928 -4.684 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.688 -2.545 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.524 -0.451 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.522 -1.884 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.200 -0.888 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.158 -0.478 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.914 -0.930 -5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.373 -1.932 -4.971 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.489 -5.017 -2.347 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.073 -5.936 -1.296 1.00 0.00 C ATOM 1019 C LYS A 61 -1.166 -7.025 -1.863 1.00 0.00 C ATOM 1020 O LYS A 61 -0.261 -7.515 -1.183 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.279 -6.565 -0.590 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.207 -5.558 0.093 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.298 -6.245 0.920 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.207 -7.125 0.071 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.228 -7.822 0.885 1.00 0.00 N ATOM 0 H LYS A 61 -3.489 -5.034 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.515 -5.360 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.855 -7.135 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.919 -7.273 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.620 -4.906 0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.671 -4.924 -0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.833 -6.852 1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.898 -5.488 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.702 -6.513 -0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.604 -7.861 -0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.824 -8.409 0.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.758 -8.427 1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.821 -7.121 1.373 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.408 -7.382 -3.110 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.610 -8.366 -3.837 1.00 0.00 C ATOM 1041 C ASP A 62 0.822 -7.888 -3.983 1.00 0.00 C ATOM 1042 O ASP A 62 1.766 -8.652 -3.742 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.215 -8.632 -5.216 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.411 -9.598 -6.039 1.00 0.00 C ATOM 1045 OD1 ASP A 62 -0.514 -10.818 -5.810 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.304 -9.165 -6.960 1.00 0.00 O ATOM 0 H ASP A 62 -2.175 -6.994 -3.660 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.612 -9.295 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.225 -9.023 -5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.301 -7.689 -5.756 1.00 0.00 H new ATOM 1051 N LYS A 63 0.986 -6.614 -4.342 1.00 0.00 N ATOM 1052 CA LYS A 63 2.318 -6.033 -4.472 1.00 0.00 C ATOM 1053 C LYS A 63 2.987 -5.985 -3.118 1.00 0.00 C ATOM 1054 O LYS A 63 4.153 -6.314 -2.989 1.00 0.00 O ATOM 1055 CB LYS A 63 2.296 -4.620 -5.067 1.00 0.00 C ATOM 1056 CG LYS A 63 1.587 -4.489 -6.403 1.00 0.00 C ATOM 1057 CD LYS A 63 1.887 -3.160 -7.140 1.00 0.00 C ATOM 1058 CE LYS A 63 1.710 -1.886 -6.286 1.00 0.00 C ATOM 1059 NZ LYS A 63 2.916 -1.570 -5.452 1.00 0.00 N ATOM 0 H LYS A 63 0.220 -5.972 -4.546 1.00 0.00 H new ATOM 0 HA LYS A 63 2.875 -6.671 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.817 -3.950 -4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.324 -4.277 -5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.879 -5.322 -7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.512 -4.571 -6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.911 -3.191 -7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.235 -3.089 -8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.497 -1.042 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.846 -2.009 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.818 -0.617 -5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.999 -2.266 -4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.769 -1.607 -6.046 1.00 0.00 H new ATOM 1073 N LEU A 64 2.213 -5.606 -2.097 1.00 0.00 N ATOM 1074 CA LEU A 64 2.712 -5.537 -0.724 1.00 0.00 C ATOM 1075 C LEU A 64 3.203 -6.914 -0.285 1.00 0.00 C ATOM 1076 O LEU A 64 4.253 -7.045 0.356 1.00 0.00 O ATOM 1077 CB LEU A 64 1.614 -5.048 0.239 1.00 0.00 C ATOM 1078 CG LEU A 64 0.954 -3.697 -0.084 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.052 -3.321 0.991 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.989 -2.594 -0.262 1.00 0.00 C ATOM 0 H LEU A 64 1.233 -5.341 -2.198 1.00 0.00 H new ATOM 0 HA LEU A 64 3.537 -4.825 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.832 -5.807 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.044 -4.985 1.239 1.00 0.00 H new ATOM 0 HG LEU A 64 0.426 -3.807 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.508 -2.362 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.826 -4.086 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.455 -3.244 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.484 -1.655 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.565 -2.484 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.659 -2.853 -1.081 1.00 0.00 H new ATOM 1092 N THR A 65 2.458 -7.931 -0.683 1.00 0.00 N ATOM 1093 CA THR A 65 2.780 -9.301 -0.391 1.00 0.00 C ATOM 1094 C THR A 65 4.063 -9.707 -1.094 1.00 0.00 C ATOM 1095 O THR A 65 5.004 -10.140 -0.458 1.00 0.00 O ATOM 1096 CB THR A 65 1.618 -10.234 -0.813 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.420 -9.866 -0.099 1.00 0.00 O ATOM 1098 CG2 THR A 65 1.952 -11.703 -0.551 1.00 0.00 C ATOM 0 H THR A 65 1.602 -7.817 -1.225 1.00 0.00 H new ATOM 0 HA THR A 65 2.928 -9.397 0.685 1.00 0.00 H new ATOM 0 HB THR A 65 1.460 -10.116 -1.885 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.063 -9.178 -0.603 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.113 -12.327 -0.859 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.840 -11.981 -1.119 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.141 -11.849 0.512 1.00 0.00 H new ATOM 1106 N ARG A 66 4.119 -9.492 -2.388 1.00 0.00 N ATOM 1107 CA ARG A 66 5.263 -9.917 -3.164 1.00 0.00 C ATOM 1108 C ARG A 66 6.514 -9.082 -2.919 1.00 0.00 C ATOM 1109 O ARG A 66 7.620 -9.500 -3.293 1.00 0.00 O ATOM 1110 CB ARG A 66 4.926 -10.036 -4.645 1.00 0.00 C ATOM 1111 CG ARG A 66 4.001 -11.208 -4.947 1.00 0.00 C ATOM 1112 CD ARG A 66 3.767 -11.372 -6.434 1.00 0.00 C ATOM 1113 NE ARG A 66 2.999 -10.267 -7.012 1.00 0.00 N ATOM 1114 CZ ARG A 66 3.204 -9.728 -8.221 1.00 0.00 C ATOM 1115 NH1 ARG A 66 4.208 -10.144 -8.996 1.00 0.00 N ATOM 1116 NH2 ARG A 66 2.380 -8.790 -8.651 1.00 0.00 N ATOM 0 H ARG A 66 3.388 -9.026 -2.926 1.00 0.00 H new ATOM 0 HA ARG A 66 5.513 -10.915 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.456 -9.112 -4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.848 -10.150 -5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.432 -12.124 -4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.046 -11.056 -4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.728 -11.446 -6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.239 -12.309 -6.613 1.00 0.00 H new ATOM 0 HE ARG A 66 2.245 -9.875 -6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.832 -10.882 -8.670 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.351 -9.724 -9.914 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.602 -8.487 -8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.521 -8.369 -9.569 1.00 0.00 H new ATOM 1130 N PHE A 67 6.361 -7.922 -2.316 1.00 0.00 N ATOM 1131 CA PHE A 67 7.510 -7.113 -1.981 1.00 0.00 C ATOM 1132 C PHE A 67 8.005 -7.458 -0.568 1.00 0.00 C ATOM 1133 O PHE A 67 9.144 -7.892 -0.395 1.00 0.00 O ATOM 1134 CB PHE A 67 7.150 -5.604 -2.064 1.00 0.00 C ATOM 1135 CG PHE A 67 8.318 -4.631 -1.914 1.00 0.00 C ATOM 1136 CD1 PHE A 67 8.905 -4.384 -0.679 1.00 0.00 C ATOM 1137 CD2 PHE A 67 8.817 -3.963 -3.016 1.00 0.00 C ATOM 1138 CE1 PHE A 67 9.954 -3.500 -0.552 1.00 0.00 C ATOM 1139 CE2 PHE A 67 9.868 -3.074 -2.894 1.00 0.00 C ATOM 1140 CZ PHE A 67 10.436 -2.843 -1.662 1.00 0.00 C ATOM 0 H PHE A 67 5.461 -7.522 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 67 8.305 -7.324 -2.696 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.668 -5.417 -3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.416 -5.382 -1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.532 -4.894 0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.379 -4.138 -3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.398 -3.323 0.417 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.244 -2.560 -3.766 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.257 -2.148 -1.566 1.00 0.00 H new ATOM 1150 N PHE A 68 7.148 -7.265 0.432 1.00 0.00 N ATOM 1151 CA PHE A 68 7.555 -7.462 1.820 1.00 0.00 C ATOM 1152 C PHE A 68 6.722 -8.488 2.614 1.00 0.00 C ATOM 1153 O PHE A 68 7.274 -9.318 3.343 1.00 0.00 O ATOM 1154 CB PHE A 68 7.643 -6.115 2.578 1.00 0.00 C ATOM 1155 CG PHE A 68 6.370 -5.304 2.601 1.00 0.00 C ATOM 1156 CD1 PHE A 68 6.094 -4.381 1.603 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.456 -5.463 3.624 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.940 -3.643 1.628 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.299 -4.729 3.650 1.00 0.00 C ATOM 1160 CZ PHE A 68 4.040 -3.817 2.652 1.00 0.00 C ATOM 0 H PHE A 68 6.178 -6.976 0.309 1.00 0.00 H new ATOM 0 HA PHE A 68 8.549 -7.905 1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.946 -6.314 3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.430 -5.513 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.798 -4.242 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.655 -6.174 4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.738 -2.927 0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.590 -4.866 4.453 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.129 -3.238 2.674 1.00 0.00 H new ATOM 1170 N LEU A 69 5.406 -8.449 2.449 1.00 0.00 N ATOM 1171 CA LEU A 69 4.467 -9.189 3.323 1.00 0.00 C ATOM 1172 C LEU A 69 4.363 -10.696 2.969 1.00 0.00 C ATOM 1173 O LEU A 69 3.409 -11.386 3.346 1.00 0.00 O ATOM 1174 CB LEU A 69 3.089 -8.471 3.329 1.00 0.00 C ATOM 1175 CG LEU A 69 2.037 -8.940 4.354 1.00 0.00 C ATOM 1176 CD1 LEU A 69 2.552 -8.774 5.781 1.00 0.00 C ATOM 1177 CD2 LEU A 69 0.741 -8.165 4.170 1.00 0.00 C ATOM 0 H LEU A 69 4.948 -7.910 1.714 1.00 0.00 H new ATOM 0 HA LEU A 69 4.865 -9.177 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.266 -7.408 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.655 -8.571 2.334 1.00 0.00 H new ATOM 0 HG LEU A 69 1.844 -9.999 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.791 -9.112 6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.457 -9.367 5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.777 -7.724 5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.007 -8.506 4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.930 -7.101 4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.357 -8.332 3.164 1.00 0.00 H new ATOM 1189 N LEU A 70 5.356 -11.185 2.269 1.00 0.00 N ATOM 1190 CA LEU A 70 5.492 -12.597 1.982 1.00 0.00 C ATOM 1191 C LEU A 70 6.171 -13.293 3.159 1.00 0.00 C ATOM 1192 O LEU A 70 6.019 -14.507 3.370 1.00 0.00 O ATOM 1193 CB LEU A 70 6.258 -12.818 0.640 1.00 0.00 C ATOM 1194 CG LEU A 70 7.606 -12.063 0.422 1.00 0.00 C ATOM 1195 CD1 LEU A 70 8.742 -12.617 1.270 1.00 0.00 C ATOM 1196 CD2 LEU A 70 7.991 -12.073 -1.045 1.00 0.00 C ATOM 0 H LEU A 70 6.102 -10.611 1.877 1.00 0.00 H new ATOM 0 HA LEU A 70 4.505 -13.041 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.456 -13.885 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.588 -12.542 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 70 7.442 -11.036 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.652 -12.051 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.483 -12.533 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.906 -13.665 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.934 -11.542 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.104 -13.103 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.213 -11.582 -1.629 1.00 0.00 H new ATOM 1208 N GLU A 71 6.888 -12.492 3.938 1.00 0.00 N ATOM 1209 CA GLU A 71 7.630 -12.958 5.079 1.00 0.00 C ATOM 1210 C GLU A 71 6.611 -13.232 6.179 1.00 0.00 C ATOM 1211 O GLU A 71 5.728 -12.406 6.435 1.00 0.00 O ATOM 1212 CB GLU A 71 8.668 -11.875 5.454 1.00 0.00 C ATOM 1213 CG GLU A 71 9.896 -12.322 6.269 1.00 0.00 C ATOM 1214 CD GLU A 71 9.659 -12.505 7.746 1.00 0.00 C ATOM 1215 OE1 GLU A 71 9.692 -11.493 8.489 1.00 0.00 O ATOM 1216 OE2 GLU A 71 9.475 -13.646 8.199 1.00 0.00 O ATOM 0 H GLU A 71 6.965 -11.487 3.783 1.00 0.00 H new ATOM 0 HA GLU A 71 8.188 -13.876 4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.025 -11.417 4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.154 -11.097 6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.261 -13.263 5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.688 -11.586 6.134 1.00 0.00 H new ATOM 1223 N HIS A 72 6.733 -14.390 6.786 1.00 0.00 N ATOM 1224 CA HIS A 72 5.749 -14.939 7.726 1.00 0.00 C ATOM 1225 C HIS A 72 5.410 -14.036 8.900 1.00 0.00 C ATOM 1226 O HIS A 72 6.184 -13.887 9.840 1.00 0.00 O ATOM 1227 CB HIS A 72 6.160 -16.331 8.211 1.00 0.00 C ATOM 1228 CG HIS A 72 6.075 -17.399 7.158 1.00 0.00 C ATOM 1229 ND1 HIS A 72 5.358 -18.553 7.323 1.00 0.00 N ATOM 1230 CD2 HIS A 72 6.659 -17.504 5.934 1.00 0.00 C ATOM 1231 CE1 HIS A 72 5.499 -19.315 6.266 1.00 0.00 C ATOM 1232 NE2 HIS A 72 6.282 -18.702 5.407 1.00 0.00 N ATOM 0 H HIS A 72 7.536 -15.002 6.644 1.00 0.00 H new ATOM 0 HA HIS A 72 4.828 -15.015 7.148 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.183 -16.286 8.585 1.00 0.00 H new ATOM 0 HB3 HIS A 72 5.525 -16.613 9.051 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.302 -16.773 5.467 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.047 -20.286 6.125 1.00 0.00 H new ATOM 0 HE2 HIS A 72 6.562 -19.064 4.495 1.00 0.00 H new ATOM 1241 N HIS A 73 4.255 -13.426 8.817 1.00 0.00 N ATOM 1242 CA HIS A 73 3.704 -12.558 9.856 1.00 0.00 C ATOM 1243 C HIS A 73 2.211 -12.663 9.771 1.00 0.00 C ATOM 1244 O HIS A 73 1.695 -13.387 8.910 1.00 0.00 O ATOM 1245 CB HIS A 73 4.078 -11.062 9.655 1.00 0.00 C ATOM 1246 CG HIS A 73 5.512 -10.701 9.857 1.00 0.00 C ATOM 1247 ND1 HIS A 73 6.015 -10.205 11.042 1.00 0.00 N ATOM 1248 CD2 HIS A 73 6.547 -10.734 9.003 1.00 0.00 C ATOM 1249 CE1 HIS A 73 7.295 -9.957 10.895 1.00 0.00 C ATOM 1250 NE2 HIS A 73 7.641 -10.271 9.665 1.00 0.00 N ATOM 0 H HIS A 73 3.645 -13.515 8.005 1.00 0.00 H new ATOM 0 HA HIS A 73 4.109 -12.877 10.816 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.792 -10.772 8.644 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.476 -10.465 10.340 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.517 -11.068 7.976 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.953 -9.562 11.655 1.00 0.00 H new ATOM 0 HE2 HIS A 73 8.578 -10.182 9.272 1.00 0.00 H new ATOM 1259 N HIS A 74 1.510 -11.963 10.643 1.00 0.00 N ATOM 1260 CA HIS A 74 0.076 -11.876 10.532 1.00 0.00 C ATOM 1261 C HIS A 74 -0.220 -11.067 9.306 1.00 0.00 C ATOM 1262 O HIS A 74 0.002 -9.852 9.279 1.00 0.00 O ATOM 1263 CB HIS A 74 -0.584 -11.242 11.768 1.00 0.00 C ATOM 1264 CG HIS A 74 -0.571 -12.109 12.983 1.00 0.00 C ATOM 1265 ND1 HIS A 74 0.169 -11.831 14.102 1.00 0.00 N ATOM 1266 CD2 HIS A 74 -1.249 -13.243 13.262 1.00 0.00 C ATOM 1267 CE1 HIS A 74 -0.048 -12.750 15.009 1.00 0.00 C ATOM 1268 NE2 HIS A 74 -0.905 -13.619 14.529 1.00 0.00 N ATOM 0 H HIS A 74 1.912 -11.452 11.429 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.339 -12.881 10.462 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.074 -10.306 11.998 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.617 -10.991 11.526 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.935 -13.757 12.605 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.404 -12.786 15.989 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.257 -14.440 15.021 1.00 0.00 H new ATOM 1277 N HIS A 75 -0.647 -11.752 8.283 1.00 0.00 N ATOM 1278 CA HIS A 75 -0.871 -11.164 6.992 1.00 0.00 C ATOM 1279 C HIS A 75 -2.066 -10.222 7.051 1.00 0.00 C ATOM 1280 O HIS A 75 -2.121 -9.236 6.332 1.00 0.00 O ATOM 1281 CB HIS A 75 -1.078 -12.275 5.956 1.00 0.00 C ATOM 1282 CG HIS A 75 -0.910 -11.843 4.533 1.00 0.00 C ATOM 1283 ND1 HIS A 75 0.213 -12.133 3.795 1.00 0.00 N ATOM 1284 CD2 HIS A 75 -1.730 -11.166 3.705 1.00 0.00 C ATOM 1285 CE1 HIS A 75 0.079 -11.654 2.588 1.00 0.00 C ATOM 1286 NE2 HIS A 75 -1.089 -11.063 2.502 1.00 0.00 N ATOM 0 H HIS A 75 -0.853 -12.750 8.323 1.00 0.00 H new ATOM 0 HA HIS A 75 -0.002 -10.577 6.694 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -0.374 -13.081 6.162 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.079 -12.687 6.080 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.709 -10.778 3.946 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.807 -11.731 1.794 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -1.459 -10.601 1.671 1.00 0.00 H new ATOM 1295 N HIS A 76 -3.015 -10.537 7.907 1.00 0.00 N ATOM 1296 CA HIS A 76 -4.175 -9.693 8.114 1.00 0.00 C ATOM 1297 C HIS A 76 -4.070 -9.014 9.460 1.00 0.00 C ATOM 1298 O HIS A 76 -3.549 -9.590 10.417 1.00 0.00 O ATOM 1299 CB HIS A 76 -5.492 -10.483 8.043 1.00 0.00 C ATOM 1300 CG HIS A 76 -5.907 -10.932 6.670 1.00 0.00 C ATOM 1301 ND1 HIS A 76 -7.063 -10.502 6.056 1.00 0.00 N ATOM 1302 CD2 HIS A 76 -5.342 -11.805 5.810 1.00 0.00 C ATOM 1303 CE1 HIS A 76 -7.188 -11.095 4.892 1.00 0.00 C ATOM 1304 NE2 HIS A 76 -6.159 -11.886 4.720 1.00 0.00 N ATOM 0 H HIS A 76 -3.005 -11.382 8.478 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.190 -8.954 7.313 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.402 -11.362 8.681 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.288 -9.866 8.460 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.415 -12.340 5.957 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.001 -10.955 4.195 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.994 -12.471 3.901 1.00 0.00 H new ATOM 1313 N HIS A 77 -4.519 -7.793 9.524 1.00 0.00 N ATOM 1314 CA HIS A 77 -4.541 -7.017 10.748 1.00 0.00 C ATOM 1315 C HIS A 77 -5.906 -6.405 10.869 1.00 0.00 C ATOM 1316 O HIS A 77 -6.202 -5.482 10.105 1.00 0.00 O ATOM 1317 CB HIS A 77 -3.464 -5.903 10.768 1.00 0.00 C ATOM 1318 CG HIS A 77 -2.043 -6.365 10.961 1.00 0.00 C ATOM 1319 ND1 HIS A 77 -1.298 -6.043 12.065 1.00 0.00 N ATOM 1320 CD2 HIS A 77 -1.218 -7.084 10.164 1.00 0.00 C ATOM 1321 CE1 HIS A 77 -0.092 -6.536 11.944 1.00 0.00 C ATOM 1322 NE2 HIS A 77 -0.011 -7.177 10.801 1.00 0.00 N ATOM 1323 OXT HIS A 77 -6.716 -6.862 11.693 1.00 0.00 O ATOM 0 H HIS A 77 -4.889 -7.292 8.716 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.318 -7.677 11.586 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.522 -5.351 9.830 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -3.709 -5.202 11.566 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.467 -7.507 9.202 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.705 -6.433 12.665 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.813 -7.663 10.447 1.00 0.00 H new TER 1332 HIS A 77