USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 803 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 89 GLN : amide:sc= 0.369 K(o=0.66,f=-6!) USER MOD Set 1.2: A 91 LYS NZ :NH3+ -120:sc= 0.287 (180deg=-0.198) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 63 TYR OH : rot 130:sc= 0 USER MOD Set 3.1: A 41 LYS NZ :NH3+ -174:sc= 1.38 (180deg=1.23) USER MOD Set 3.2: A 78 TYR OH : rot 33:sc= 0.264 USER MOD Set 4.1: A 8 GLN : amide:sc= -0.423 K(o=-0.0099,f=-1.4) USER MOD Set 4.2: A 26 TYR OH : rot 4:sc= 0.413 USER MOD Set 4.3: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -171:sc= 0 (180deg=-0.125) USER MOD Single : A 2 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.2) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 SER OG : rot 42:sc= 0.443 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.549 K(o=0.55,f=-5.3!) USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= 1.28 (180deg=0.323) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00049 USER MOD Single : A 21 ASN : amide:sc= 0.616 K(o=0.62,f=-8!) USER MOD Single : A 24 ASN : amide:sc= 0.43 K(o=0.43,f=-7.4!) USER MOD Single : A 31 HIS : no HD1:sc= -0.729 K(o=-0.73,f=-0.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.71) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0425) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.321 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.264 USER MOD Single : A 66 TYR OH : rot 172:sc= -1.61! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 72:sc= 0.31 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.806 K(o=0.81,f=-5.6!) USER MOD Single : A 84 HIS : no HD1:sc= -1.9! C(o=-1.9!,f=-10!) USER MOD Single : A 86 THR OG1 : rot -36:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 167:sc= -0.0424 (180deg=-0.277) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -2.080 -24.685 0.358 1.00 0.00 N ATOM 2 CA MET A 0 -1.857 -24.784 -1.098 1.00 0.00 C ATOM 3 C MET A 0 -2.451 -23.588 -1.847 1.00 0.00 C ATOM 4 O MET A 0 -1.743 -22.944 -2.620 1.00 0.00 O ATOM 5 CB MET A 0 -2.383 -26.109 -1.665 1.00 0.00 C ATOM 6 CG MET A 0 -1.614 -27.310 -1.103 1.00 0.00 C ATOM 7 SD MET A 0 -2.052 -28.895 -1.865 1.00 0.00 S ATOM 8 CE MET A 0 -0.885 -29.972 -0.995 1.00 0.00 C ATOM 0 H1 MET A 0 -1.537 -25.427 0.844 1.00 0.00 H new ATOM 0 H2 MET A 0 -1.769 -23.751 0.694 1.00 0.00 H new ATOM 0 H3 MET A 0 -3.092 -24.807 0.563 1.00 0.00 H new ATOM 0 HA MET A 0 -0.778 -24.765 -1.254 1.00 0.00 H new ATOM 0 HB2 MET A 0 -3.442 -26.212 -1.428 1.00 0.00 H new ATOM 0 HB3 MET A 0 -2.299 -26.099 -2.752 1.00 0.00 H new ATOM 0 HG2 MET A 0 -0.546 -27.138 -1.237 1.00 0.00 H new ATOM 0 HG3 MET A 0 -1.795 -27.373 -0.030 1.00 0.00 H new ATOM 0 HE1 MET A 0 -1.011 -30.998 -1.339 1.00 0.00 H new ATOM 0 HE2 MET A 0 0.134 -29.644 -1.199 1.00 0.00 H new ATOM 0 HE3 MET A 0 -1.075 -29.923 0.077 1.00 0.00 H new ATOM 20 N ILE A 1 -3.732 -23.277 -1.597 1.00 0.00 N ATOM 21 CA ILE A 1 -4.404 -22.095 -2.133 1.00 0.00 C ATOM 22 C ILE A 1 -3.676 -20.792 -1.765 1.00 0.00 C ATOM 23 O ILE A 1 -2.711 -20.791 -1.002 1.00 0.00 O ATOM 24 CB ILE A 1 -5.897 -22.072 -1.729 1.00 0.00 C ATOM 25 CG1 ILE A 1 -6.171 -22.129 -0.216 1.00 0.00 C ATOM 26 CG2 ILE A 1 -6.665 -23.225 -2.391 1.00 0.00 C ATOM 27 CD1 ILE A 1 -5.523 -20.996 0.580 1.00 0.00 C ATOM 0 H ILE A 1 -4.335 -23.851 -1.008 1.00 0.00 H new ATOM 0 HA ILE A 1 -4.364 -22.162 -3.220 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.244 -21.101 -2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -7.248 -22.104 -0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -5.812 -23.082 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -7.712 -23.185 -2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.595 -23.134 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -6.234 -24.176 -2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -5.765 -21.109 1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.441 -21.032 0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -5.900 -20.038 0.222 1.00 0.00 H new ATOM 39 N GLN A 2 -4.149 -19.676 -2.325 1.00 0.00 N ATOM 40 CA GLN A 2 -3.529 -18.368 -2.201 1.00 0.00 C ATOM 41 C GLN A 2 -4.125 -17.637 -1.001 1.00 0.00 C ATOM 42 O GLN A 2 -5.344 -17.509 -0.900 1.00 0.00 O ATOM 43 CB GLN A 2 -3.770 -17.571 -3.487 1.00 0.00 C ATOM 44 CG GLN A 2 -2.957 -18.103 -4.676 1.00 0.00 C ATOM 45 CD GLN A 2 -3.331 -19.528 -5.085 1.00 0.00 C ATOM 46 OE1 GLN A 2 -4.493 -19.813 -5.365 1.00 0.00 O ATOM 47 NE2 GLN A 2 -2.352 -20.436 -5.095 1.00 0.00 N ATOM 0 H GLN A 2 -4.997 -19.664 -2.891 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.455 -18.477 -2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.831 -17.602 -3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.513 -16.526 -3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.100 -17.440 -5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.897 -18.073 -4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.399 -20.161 -4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.557 -21.404 -5.341 1.00 0.00 H new ATOM 56 N ARG A 3 -3.267 -17.159 -0.093 1.00 0.00 N ATOM 57 CA ARG A 3 -3.703 -16.443 1.096 1.00 0.00 C ATOM 58 C ARG A 3 -4.046 -14.993 0.755 1.00 0.00 C ATOM 59 O ARG A 3 -3.512 -14.422 -0.196 1.00 0.00 O ATOM 60 CB ARG A 3 -2.633 -16.517 2.186 1.00 0.00 C ATOM 61 CG ARG A 3 -2.324 -17.975 2.552 1.00 0.00 C ATOM 62 CD ARG A 3 -1.548 -18.095 3.866 1.00 0.00 C ATOM 63 NE ARG A 3 -0.362 -17.230 3.885 1.00 0.00 N ATOM 64 CZ ARG A 3 0.613 -17.266 4.806 1.00 0.00 C ATOM 65 NH1 ARG A 3 0.665 -18.239 5.726 1.00 0.00 N ATOM 66 NH2 ARG A 3 1.542 -16.304 4.801 1.00 0.00 N ATOM 0 H ARG A 3 -2.255 -17.261 -0.167 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.606 -16.919 1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.724 -16.024 1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.972 -15.980 3.072 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.257 -18.532 2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.747 -18.434 1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.201 -17.833 4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.244 -19.131 4.014 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.272 -16.544 3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.045 -18.971 5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 3 1.415 -18.248 6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.502 -15.560 4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.291 -16.315 5.493 1.00 0.00 H new ATOM 80 N THR A 4 -4.951 -14.407 1.544 1.00 0.00 N ATOM 81 CA THR A 4 -5.445 -13.053 1.354 1.00 0.00 C ATOM 82 C THR A 4 -4.367 -12.051 1.793 1.00 0.00 C ATOM 83 O THR A 4 -3.716 -12.281 2.812 1.00 0.00 O ATOM 84 CB THR A 4 -6.731 -12.889 2.183 1.00 0.00 C ATOM 85 OG1 THR A 4 -7.616 -13.953 1.895 1.00 0.00 O ATOM 86 CG2 THR A 4 -7.460 -11.571 1.904 1.00 0.00 C ATOM 0 H THR A 4 -5.366 -14.877 2.349 1.00 0.00 H new ATOM 0 HA THR A 4 -5.671 -12.864 0.305 1.00 0.00 H new ATOM 0 HB THR A 4 -6.429 -12.890 3.230 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.435 -13.850 2.424 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.358 -11.515 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.804 -10.734 2.143 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.738 -11.525 0.851 1.00 0.00 H new ATOM 94 N PRO A 5 -4.163 -10.942 1.060 1.00 0.00 N ATOM 95 CA PRO A 5 -3.223 -9.903 1.445 1.00 0.00 C ATOM 96 C PRO A 5 -3.683 -9.203 2.724 1.00 0.00 C ATOM 97 O PRO A 5 -4.705 -8.520 2.731 1.00 0.00 O ATOM 98 CB PRO A 5 -3.155 -8.940 0.253 1.00 0.00 C ATOM 99 CG PRO A 5 -4.508 -9.120 -0.428 1.00 0.00 C ATOM 100 CD PRO A 5 -4.803 -10.601 -0.201 1.00 0.00 C ATOM 0 HA PRO A 5 -2.236 -10.308 1.669 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.003 -7.910 0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.332 -9.188 -0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.273 -8.482 0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.463 -8.874 -1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.877 -10.784 -0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.409 -11.208 -1.016 1.00 0.00 H new ATOM 108 N LYS A 6 -2.905 -9.365 3.800 1.00 0.00 N ATOM 109 CA LYS A 6 -3.051 -8.610 5.028 1.00 0.00 C ATOM 110 C LYS A 6 -2.355 -7.264 4.821 1.00 0.00 C ATOM 111 O LYS A 6 -1.132 -7.217 4.695 1.00 0.00 O ATOM 112 CB LYS A 6 -2.442 -9.398 6.196 1.00 0.00 C ATOM 113 CG LYS A 6 -2.896 -8.775 7.521 1.00 0.00 C ATOM 114 CD LYS A 6 -2.028 -9.199 8.712 1.00 0.00 C ATOM 115 CE LYS A 6 -2.121 -10.703 8.991 1.00 0.00 C ATOM 116 NZ LYS A 6 -1.397 -11.066 10.223 1.00 0.00 N ATOM 0 H LYS A 6 -2.143 -10.042 3.832 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.100 -8.440 5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.753 -10.442 6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.354 -9.386 6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.874 -7.689 7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.931 -9.059 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.990 -8.931 8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.337 -8.647 9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.167 -10.994 9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.709 -11.257 8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.479 -12.090 10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.394 -10.810 10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.807 -10.554 11.030 1.00 0.00 H new ATOM 130 N ILE A 7 -3.147 -6.190 4.739 1.00 0.00 N ATOM 131 CA ILE A 7 -2.692 -4.841 4.428 1.00 0.00 C ATOM 132 C ILE A 7 -2.669 -4.023 5.721 1.00 0.00 C ATOM 133 O ILE A 7 -3.695 -3.936 6.394 1.00 0.00 O ATOM 134 CB ILE A 7 -3.644 -4.213 3.393 1.00 0.00 C ATOM 135 CG1 ILE A 7 -3.754 -5.055 2.106 1.00 0.00 C ATOM 136 CG2 ILE A 7 -3.157 -2.797 3.056 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.119 -4.908 1.427 1.00 0.00 C ATOM 0 H ILE A 7 -4.154 -6.243 4.893 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.688 -4.859 4.004 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.640 -4.177 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.971 -4.754 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.582 -6.104 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.827 -2.347 2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.148 -2.190 3.961 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.149 -2.847 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.145 -5.521 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.903 -5.235 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.282 -3.864 1.161 1.00 0.00 H new ATOM 149 N GLN A 8 -1.523 -3.420 6.070 1.00 0.00 N ATOM 150 CA GLN A 8 -1.359 -2.624 7.269 1.00 0.00 C ATOM 151 C GLN A 8 -0.686 -1.298 6.899 1.00 0.00 C ATOM 152 O GLN A 8 0.537 -1.217 6.796 1.00 0.00 O ATOM 153 CB GLN A 8 -0.579 -3.429 8.318 1.00 0.00 C ATOM 154 CG GLN A 8 0.613 -4.249 7.799 1.00 0.00 C ATOM 155 CD GLN A 8 0.235 -5.562 7.116 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.748 -6.201 7.481 1.00 0.00 O ATOM 157 NE2 GLN A 8 1.026 -5.973 6.124 1.00 0.00 N ATOM 0 H GLN A 8 -0.674 -3.481 5.507 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.324 -2.383 7.715 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.214 -2.738 9.078 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.273 -4.109 8.813 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.178 -3.638 7.095 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.277 -4.468 8.635 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.834 -5.413 5.850 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.823 -6.847 5.639 1.00 0.00 H new ATOM 166 N VAL A 9 -1.501 -0.258 6.677 1.00 0.00 N ATOM 167 CA VAL A 9 -1.035 1.045 6.222 1.00 0.00 C ATOM 168 C VAL A 9 -0.680 1.938 7.408 1.00 0.00 C ATOM 169 O VAL A 9 -1.451 2.026 8.363 1.00 0.00 O ATOM 170 CB VAL A 9 -2.097 1.724 5.344 1.00 0.00 C ATOM 171 CG1 VAL A 9 -1.521 3.021 4.762 1.00 0.00 C ATOM 172 CG2 VAL A 9 -2.565 0.806 4.208 1.00 0.00 C ATOM 0 H VAL A 9 -2.511 -0.305 6.812 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.136 0.892 5.624 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.963 1.946 5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.272 3.505 4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.238 3.690 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.643 2.791 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.316 1.322 3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.715 0.545 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.997 -0.102 4.629 1.00 0.00 H new ATOM 182 N TYR A 10 0.472 2.615 7.322 1.00 0.00 N ATOM 183 CA TYR A 10 0.973 3.512 8.353 1.00 0.00 C ATOM 184 C TYR A 10 1.131 4.934 7.817 1.00 0.00 C ATOM 185 O TYR A 10 1.319 5.142 6.619 1.00 0.00 O ATOM 186 CB TYR A 10 2.327 3.006 8.862 1.00 0.00 C ATOM 187 CG TYR A 10 2.401 1.507 9.063 1.00 0.00 C ATOM 188 CD1 TYR A 10 1.538 0.878 9.979 1.00 0.00 C ATOM 189 CD2 TYR A 10 3.286 0.736 8.288 1.00 0.00 C ATOM 190 CE1 TYR A 10 1.613 -0.512 10.166 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.380 -0.650 8.496 1.00 0.00 C ATOM 192 CZ TYR A 10 2.572 -1.266 9.469 1.00 0.00 C ATOM 193 OH TYR A 10 2.727 -2.590 9.756 1.00 0.00 O ATOM 0 H TYR A 10 1.090 2.548 6.513 1.00 0.00 H new ATOM 0 HA TYR A 10 0.251 3.530 9.170 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.101 3.304 8.155 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.553 3.498 9.808 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.820 1.462 10.536 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.894 1.210 7.532 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.932 -1.002 10.847 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.070 -1.240 7.911 1.00 0.00 H new ATOM 0 HH TYR A 10 1.872 -2.961 10.058 1.00 0.00 H new ATOM 203 N SER A 11 1.119 5.892 8.746 1.00 0.00 N ATOM 204 CA SER A 11 1.511 7.281 8.541 1.00 0.00 C ATOM 205 C SER A 11 2.469 7.667 9.665 1.00 0.00 C ATOM 206 O SER A 11 2.167 7.413 10.830 1.00 0.00 O ATOM 207 CB SER A 11 0.306 8.220 8.504 1.00 0.00 C ATOM 208 OG SER A 11 -0.732 7.784 9.358 1.00 0.00 O ATOM 0 H SER A 11 0.822 5.708 9.704 1.00 0.00 H new ATOM 0 HA SER A 11 2.000 7.378 7.572 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.619 9.222 8.796 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.069 8.288 7.483 1.00 0.00 H new ATOM 0 HG SER A 11 -0.349 7.466 10.202 1.00 0.00 H new ATOM 214 N ARG A 12 3.625 8.252 9.324 1.00 0.00 N ATOM 215 CA ARG A 12 4.661 8.556 10.306 1.00 0.00 C ATOM 216 C ARG A 12 4.212 9.694 11.228 1.00 0.00 C ATOM 217 O ARG A 12 4.139 9.494 12.440 1.00 0.00 O ATOM 218 CB ARG A 12 6.006 8.825 9.618 1.00 0.00 C ATOM 219 CG ARG A 12 6.437 7.593 8.809 1.00 0.00 C ATOM 220 CD ARG A 12 7.877 7.713 8.298 1.00 0.00 C ATOM 221 NE ARG A 12 8.168 6.669 7.301 1.00 0.00 N ATOM 222 CZ ARG A 12 9.075 6.775 6.312 1.00 0.00 C ATOM 223 NH1 ARG A 12 9.951 7.789 6.286 1.00 0.00 N ATOM 224 NH2 ARG A 12 9.096 5.868 5.327 1.00 0.00 N ATOM 0 H ARG A 12 3.862 8.523 8.370 1.00 0.00 H new ATOM 0 HA ARG A 12 4.816 7.685 10.943 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.921 9.690 8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.764 9.064 10.364 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.347 6.702 9.430 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.762 7.461 7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.029 8.697 7.855 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.572 7.628 9.133 1.00 0.00 H new ATOM 0 HE ARG A 12 7.641 5.798 7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.937 8.494 7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.632 7.855 5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.426 5.099 5.327 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.782 5.946 4.576 1.00 0.00 H new ATOM 238 N HIS A 13 3.866 10.858 10.662 1.00 0.00 N ATOM 239 CA HIS A 13 3.149 11.911 11.380 1.00 0.00 C ATOM 240 C HIS A 13 1.659 11.790 11.036 1.00 0.00 C ATOM 241 O HIS A 13 1.339 11.304 9.952 1.00 0.00 O ATOM 242 CB HIS A 13 3.695 13.287 10.988 1.00 0.00 C ATOM 243 CG HIS A 13 5.184 13.425 11.158 1.00 0.00 C ATOM 244 ND1 HIS A 13 5.806 13.195 12.385 1.00 0.00 N ATOM 245 CD2 HIS A 13 6.138 13.746 10.228 1.00 0.00 C ATOM 246 CE1 HIS A 13 7.107 13.383 12.147 1.00 0.00 C ATOM 247 NE2 HIS A 13 7.359 13.711 10.869 1.00 0.00 N ATOM 0 H HIS A 13 4.077 11.093 9.692 1.00 0.00 H new ATOM 0 HA HIS A 13 3.287 11.801 12.456 1.00 0.00 H new ATOM 0 HB2 HIS A 13 3.438 13.486 9.947 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.199 14.048 11.590 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.966 13.982 9.188 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.874 13.282 12.901 1.00 0.00 H new ATOM 0 HE2 HIS A 13 8.272 13.897 10.455 1.00 0.00 H new ATOM 255 N PRO A 14 0.733 12.210 11.917 1.00 0.00 N ATOM 256 CA PRO A 14 -0.701 12.065 11.703 1.00 0.00 C ATOM 257 C PRO A 14 -1.206 13.190 10.790 1.00 0.00 C ATOM 258 O PRO A 14 -1.939 14.072 11.230 1.00 0.00 O ATOM 259 CB PRO A 14 -1.303 12.115 13.110 1.00 0.00 C ATOM 260 CG PRO A 14 -0.375 13.089 13.837 1.00 0.00 C ATOM 261 CD PRO A 14 0.996 12.782 13.228 1.00 0.00 C ATOM 0 HA PRO A 14 -0.981 11.140 11.200 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.333 12.470 13.097 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.310 11.133 13.583 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.668 14.126 13.670 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.383 12.925 14.915 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.598 13.687 13.145 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.553 12.085 13.853 1.00 0.00 H new ATOM 269 N ALA A 15 -0.776 13.149 9.520 1.00 0.00 N ATOM 270 CA ALA A 15 -0.986 14.166 8.494 1.00 0.00 C ATOM 271 C ALA A 15 -0.300 15.496 8.836 1.00 0.00 C ATOM 272 O ALA A 15 -0.232 15.906 9.993 1.00 0.00 O ATOM 273 CB ALA A 15 -2.463 14.316 8.134 1.00 0.00 C ATOM 0 H ALA A 15 -0.241 12.355 9.167 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.492 13.814 7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.575 15.083 7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.844 13.367 7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.026 14.605 9.021 1.00 0.00 H new ATOM 279 N GLU A 16 0.250 16.148 7.806 1.00 0.00 N ATOM 280 CA GLU A 16 1.070 17.349 7.910 1.00 0.00 C ATOM 281 C GLU A 16 0.642 18.299 6.792 1.00 0.00 C ATOM 282 O GLU A 16 1.187 18.236 5.693 1.00 0.00 O ATOM 283 CB GLU A 16 2.549 16.966 7.736 1.00 0.00 C ATOM 284 CG GLU A 16 3.125 16.072 8.839 1.00 0.00 C ATOM 285 CD GLU A 16 3.596 16.870 10.048 1.00 0.00 C ATOM 286 OE1 GLU A 16 2.723 17.340 10.807 1.00 0.00 O ATOM 287 OE2 GLU A 16 4.832 16.998 10.187 1.00 0.00 O ATOM 0 H GLU A 16 0.128 15.838 6.842 1.00 0.00 H new ATOM 0 HA GLU A 16 0.943 17.827 8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.666 16.457 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.141 17.880 7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.367 15.354 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.961 15.498 8.438 1.00 0.00 H new ATOM 294 N ASN A 17 -0.353 19.157 7.045 1.00 0.00 N ATOM 295 CA ASN A 17 -0.953 19.988 6.007 1.00 0.00 C ATOM 296 C ASN A 17 0.104 20.855 5.312 1.00 0.00 C ATOM 297 O ASN A 17 0.689 21.736 5.939 1.00 0.00 O ATOM 298 CB ASN A 17 -2.085 20.836 6.603 1.00 0.00 C ATOM 299 CG ASN A 17 -2.896 21.583 5.541 1.00 0.00 C ATOM 300 OD1 ASN A 17 -2.625 21.489 4.345 1.00 0.00 O ATOM 301 ND2 ASN A 17 -3.908 22.332 5.981 1.00 0.00 N ATOM 0 H ASN A 17 -0.760 19.291 7.971 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.382 19.340 5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.752 20.191 7.175 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.662 21.557 7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.485 22.850 5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.105 22.387 6.980 1.00 0.00 H new ATOM 308 N GLY A 18 0.361 20.587 4.023 1.00 0.00 N ATOM 309 CA GLY A 18 1.301 21.346 3.209 1.00 0.00 C ATOM 310 C GLY A 18 2.731 20.800 3.264 1.00 0.00 C ATOM 311 O GLY A 18 3.440 20.863 2.261 1.00 0.00 O ATOM 0 H GLY A 18 -0.089 19.824 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.959 21.344 2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.303 22.384 3.542 1.00 0.00 H new ATOM 315 N LYS A 19 3.168 20.299 4.427 1.00 0.00 N ATOM 316 CA LYS A 19 4.542 19.873 4.673 1.00 0.00 C ATOM 317 C LYS A 19 4.672 18.360 4.519 1.00 0.00 C ATOM 318 O LYS A 19 3.805 17.595 4.929 1.00 0.00 O ATOM 319 CB LYS A 19 4.956 20.322 6.075 1.00 0.00 C ATOM 320 CG LYS A 19 6.416 20.056 6.474 1.00 0.00 C ATOM 321 CD LYS A 19 6.646 18.613 6.948 1.00 0.00 C ATOM 322 CE LYS A 19 7.185 18.527 8.379 1.00 0.00 C ATOM 323 NZ LYS A 19 7.237 17.128 8.839 1.00 0.00 N ATOM 0 H LYS A 19 2.559 20.178 5.237 1.00 0.00 H new ATOM 0 HA LYS A 19 5.205 20.332 3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.768 21.392 6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.308 19.826 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.065 20.262 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.703 20.745 7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.707 18.063 6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.347 18.123 6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.182 18.966 8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.550 19.110 9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.045 17.004 9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.356 16.895 9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.346 16.497 8.020 1.00 0.00 H new ATOM 337 N SER A 20 5.780 17.949 3.908 1.00 0.00 N ATOM 338 CA SER A 20 5.993 16.563 3.507 1.00 0.00 C ATOM 339 C SER A 20 6.010 15.601 4.698 1.00 0.00 C ATOM 340 O SER A 20 6.666 15.847 5.709 1.00 0.00 O ATOM 341 CB SER A 20 7.308 16.437 2.739 1.00 0.00 C ATOM 342 OG SER A 20 8.382 17.041 3.432 1.00 0.00 O ATOM 0 H SER A 20 6.556 18.569 3.677 1.00 0.00 H new ATOM 0 HA SER A 20 5.153 16.286 2.870 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.531 15.383 2.571 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.202 16.901 1.758 1.00 0.00 H new ATOM 0 HG SER A 20 9.206 16.939 2.911 1.00 0.00 H new ATOM 348 N ASN A 21 5.293 14.491 4.545 1.00 0.00 N ATOM 349 CA ASN A 21 5.126 13.455 5.557 1.00 0.00 C ATOM 350 C ASN A 21 5.658 12.139 4.972 1.00 0.00 C ATOM 351 O ASN A 21 6.556 12.173 4.132 1.00 0.00 O ATOM 352 CB ASN A 21 3.638 13.430 5.919 1.00 0.00 C ATOM 353 CG ASN A 21 3.301 12.731 7.235 1.00 0.00 C ATOM 354 OD1 ASN A 21 4.079 11.953 7.784 1.00 0.00 O ATOM 355 ND2 ASN A 21 2.104 13.013 7.741 1.00 0.00 N ATOM 0 H ASN A 21 4.794 14.282 3.680 1.00 0.00 H new ATOM 0 HA ASN A 21 5.685 13.633 6.476 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.275 14.457 5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.093 12.937 5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.804 12.578 8.614 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.486 13.664 7.256 1.00 0.00 H new ATOM 362 N PHE A 22 5.112 10.982 5.372 1.00 0.00 N ATOM 363 CA PHE A 22 5.429 9.708 4.749 1.00 0.00 C ATOM 364 C PHE A 22 4.328 8.679 5.010 1.00 0.00 C ATOM 365 O PHE A 22 3.958 8.425 6.156 1.00 0.00 O ATOM 366 CB PHE A 22 6.801 9.197 5.202 1.00 0.00 C ATOM 367 CG PHE A 22 7.737 8.851 4.062 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.510 7.702 3.280 1.00 0.00 C ATOM 369 CD2 PHE A 22 8.839 9.680 3.780 1.00 0.00 C ATOM 370 CE1 PHE A 22 8.382 7.389 2.222 1.00 0.00 C ATOM 371 CE2 PHE A 22 9.731 9.342 2.749 1.00 0.00 C ATOM 372 CZ PHE A 22 9.495 8.204 1.961 1.00 0.00 C ATOM 0 H PHE A 22 4.440 10.913 6.136 1.00 0.00 H new ATOM 0 HA PHE A 22 5.481 9.864 3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.272 9.956 5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.661 8.313 5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.667 7.062 3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.999 10.578 4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.195 6.520 1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.599 9.958 2.562 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.169 7.956 1.155 1.00 0.00 H new ATOM 382 N LEU A 23 3.816 8.111 3.914 1.00 0.00 N ATOM 383 CA LEU A 23 2.735 7.145 3.824 1.00 0.00 C ATOM 384 C LEU A 23 3.341 5.798 3.450 1.00 0.00 C ATOM 385 O LEU A 23 4.163 5.738 2.537 1.00 0.00 O ATOM 386 CB LEU A 23 1.790 7.628 2.724 1.00 0.00 C ATOM 387 CG LEU A 23 0.605 6.715 2.424 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.299 6.635 3.650 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.177 7.346 1.267 1.00 0.00 C ATOM 0 H LEU A 23 4.185 8.340 2.991 1.00 0.00 H new ATOM 0 HA LEU A 23 2.191 7.044 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.407 8.610 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.365 7.759 1.808 1.00 0.00 H new ATOM 0 HG LEU A 23 0.947 5.712 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.146 5.983 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.265 6.233 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.663 7.632 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.035 6.719 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.523 8.337 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.470 7.431 0.394 1.00 0.00 H new ATOM 401 N ASN A 24 2.968 4.734 4.172 1.00 0.00 N ATOM 402 CA ASN A 24 3.641 3.447 4.073 1.00 0.00 C ATOM 403 C ASN A 24 2.624 2.312 4.052 1.00 0.00 C ATOM 404 O ASN A 24 2.213 1.830 5.106 1.00 0.00 O ATOM 405 CB ASN A 24 4.632 3.278 5.228 1.00 0.00 C ATOM 406 CG ASN A 24 5.632 4.427 5.340 1.00 0.00 C ATOM 407 OD1 ASN A 24 6.766 4.314 4.890 1.00 0.00 O ATOM 408 ND2 ASN A 24 5.222 5.538 5.957 1.00 0.00 N ATOM 0 H ASN A 24 2.194 4.748 4.836 1.00 0.00 H new ATOM 0 HA ASN A 24 4.199 3.413 3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.078 3.195 6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.177 2.343 5.096 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.860 6.326 6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.271 5.598 6.320 1.00 0.00 H new ATOM 415 N CYS A 25 2.235 1.876 2.849 1.00 0.00 N ATOM 416 CA CYS A 25 1.266 0.803 2.671 1.00 0.00 C ATOM 417 C CYS A 25 2.002 -0.523 2.614 1.00 0.00 C ATOM 418 O CYS A 25 2.382 -0.972 1.537 1.00 0.00 O ATOM 419 CB CYS A 25 0.411 1.024 1.419 1.00 0.00 C ATOM 420 SG CYS A 25 -0.587 2.532 1.504 1.00 0.00 S ATOM 0 H CYS A 25 2.587 2.262 1.973 1.00 0.00 H new ATOM 0 HA CYS A 25 0.581 0.795 3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.061 1.073 0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.247 0.166 1.279 1.00 0.00 H new ATOM 425 N TYR A 26 2.198 -1.145 3.779 1.00 0.00 N ATOM 426 CA TYR A 26 2.809 -2.457 3.873 1.00 0.00 C ATOM 427 C TYR A 26 1.741 -3.516 3.604 1.00 0.00 C ATOM 428 O TYR A 26 0.645 -3.421 4.154 1.00 0.00 O ATOM 429 CB TYR A 26 3.417 -2.621 5.271 1.00 0.00 C ATOM 430 CG TYR A 26 4.059 -3.969 5.554 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.754 -4.666 4.548 1.00 0.00 C ATOM 432 CD2 TYR A 26 3.946 -4.540 6.834 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.248 -5.955 4.794 1.00 0.00 C ATOM 434 CE2 TYR A 26 4.452 -5.826 7.087 1.00 0.00 C ATOM 435 CZ TYR A 26 5.112 -6.532 6.067 1.00 0.00 C ATOM 436 OH TYR A 26 5.618 -7.776 6.309 1.00 0.00 O ATOM 0 H TYR A 26 1.935 -0.746 4.680 1.00 0.00 H new ATOM 0 HA TYR A 26 3.604 -2.572 3.136 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.168 -1.844 5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.635 -2.449 6.010 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.907 -4.206 3.583 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.467 -3.986 7.628 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.734 -6.506 4.002 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.334 -6.271 8.064 1.00 0.00 H new ATOM 0 HH TYR A 26 6.099 -8.094 5.516 1.00 0.00 H new ATOM 446 N VAL A 27 2.060 -4.520 2.776 1.00 0.00 N ATOM 447 CA VAL A 27 1.182 -5.657 2.528 1.00 0.00 C ATOM 448 C VAL A 27 1.991 -6.929 2.734 1.00 0.00 C ATOM 449 O VAL A 27 3.144 -6.989 2.308 1.00 0.00 O ATOM 450 CB VAL A 27 0.585 -5.622 1.109 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.618 -6.568 1.046 1.00 0.00 C ATOM 452 CG2 VAL A 27 0.123 -4.228 0.698 1.00 0.00 C ATOM 0 H VAL A 27 2.939 -4.561 2.260 1.00 0.00 H new ATOM 0 HA VAL A 27 0.342 -5.619 3.221 1.00 0.00 H new ATOM 0 HB VAL A 27 1.373 -5.930 0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.045 -6.547 0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.296 -7.582 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.370 -6.249 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.289 -4.264 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.643 -3.880 1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.970 -3.543 0.720 1.00 0.00 H new ATOM 462 N SER A 28 1.386 -7.944 3.363 1.00 0.00 N ATOM 463 CA SER A 28 2.024 -9.235 3.559 1.00 0.00 C ATOM 464 C SER A 28 1.000 -10.354 3.730 1.00 0.00 C ATOM 465 O SER A 28 -0.201 -10.121 3.620 1.00 0.00 O ATOM 466 CB SER A 28 3.011 -9.160 4.736 1.00 0.00 C ATOM 467 OG SER A 28 2.322 -8.885 5.938 1.00 0.00 O ATOM 0 H SER A 28 0.443 -7.886 3.747 1.00 0.00 H new ATOM 0 HA SER A 28 2.590 -9.482 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.552 -10.102 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.753 -8.384 4.548 1.00 0.00 H new ATOM 0 HG SER A 28 2.962 -8.841 6.679 1.00 0.00 H new ATOM 473 N GLY A 29 1.479 -11.583 3.963 1.00 0.00 N ATOM 474 CA GLY A 29 0.632 -12.752 4.152 1.00 0.00 C ATOM 475 C GLY A 29 0.350 -13.471 2.834 1.00 0.00 C ATOM 476 O GLY A 29 0.356 -14.699 2.793 1.00 0.00 O ATOM 0 H GLY A 29 2.476 -11.788 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.114 -13.441 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.310 -12.448 4.608 1.00 0.00 H new ATOM 480 N PHE A 30 0.097 -12.714 1.763 1.00 0.00 N ATOM 481 CA PHE A 30 -0.305 -13.250 0.472 1.00 0.00 C ATOM 482 C PHE A 30 0.831 -14.026 -0.197 1.00 0.00 C ATOM 483 O PHE A 30 1.971 -13.980 0.255 1.00 0.00 O ATOM 484 CB PHE A 30 -0.802 -12.106 -0.419 1.00 0.00 C ATOM 485 CG PHE A 30 0.269 -11.104 -0.800 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.096 -11.374 -1.905 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.509 -9.958 -0.017 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.164 -10.528 -2.223 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.591 -9.118 -0.324 1.00 0.00 C ATOM 490 CZ PHE A 30 2.417 -9.412 -1.418 1.00 0.00 C ATOM 0 H PHE A 30 0.169 -11.697 1.775 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.117 -13.960 0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.229 -12.528 -1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.607 -11.582 0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.904 -12.244 -2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.137 -9.726 0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.787 -10.734 -3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.787 -8.246 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.257 -8.771 -1.642 1.00 0.00 H new ATOM 500 N HIS A 31 0.497 -14.724 -1.286 1.00 0.00 N ATOM 501 CA HIS A 31 1.392 -15.433 -2.195 1.00 0.00 C ATOM 502 C HIS A 31 0.509 -15.875 -3.374 1.00 0.00 C ATOM 503 O HIS A 31 -0.662 -16.175 -3.141 1.00 0.00 O ATOM 504 CB HIS A 31 2.092 -16.602 -1.480 1.00 0.00 C ATOM 505 CG HIS A 31 1.243 -17.829 -1.333 1.00 0.00 C ATOM 506 ND1 HIS A 31 0.637 -18.186 -0.131 1.00 0.00 N ATOM 507 CD2 HIS A 31 0.930 -18.749 -2.294 1.00 0.00 C ATOM 508 CE1 HIS A 31 -0.015 -19.318 -0.416 1.00 0.00 C ATOM 509 NE2 HIS A 31 0.112 -19.690 -1.702 1.00 0.00 N ATOM 0 H HIS A 31 -0.478 -14.813 -1.573 1.00 0.00 H new ATOM 0 HA HIS A 31 2.209 -14.807 -2.553 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.995 -16.863 -2.032 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.408 -16.271 -0.490 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.260 -18.741 -3.322 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.585 -19.876 0.312 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.311 -20.503 -2.150 1.00 0.00 H new ATOM 517 N PRO A 32 0.993 -15.911 -4.627 1.00 0.00 N ATOM 518 CA PRO A 32 2.371 -15.724 -5.051 1.00 0.00 C ATOM 519 C PRO A 32 2.677 -14.228 -5.277 1.00 0.00 C ATOM 520 O PRO A 32 2.105 -13.368 -4.609 1.00 0.00 O ATOM 521 CB PRO A 32 2.462 -16.576 -6.325 1.00 0.00 C ATOM 522 CG PRO A 32 1.105 -16.324 -6.974 1.00 0.00 C ATOM 523 CD PRO A 32 0.184 -16.349 -5.756 1.00 0.00 C ATOM 0 HA PRO A 32 3.114 -16.031 -4.315 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.285 -16.263 -6.967 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.617 -17.631 -6.100 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.070 -15.368 -7.497 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.847 -17.094 -7.701 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.672 -15.689 -5.901 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.211 -17.351 -5.587 1.00 0.00 H new ATOM 531 N SER A 33 3.590 -13.917 -6.208 1.00 0.00 N ATOM 532 CA SER A 33 4.206 -12.611 -6.394 1.00 0.00 C ATOM 533 C SER A 33 3.324 -11.562 -7.069 1.00 0.00 C ATOM 534 O SER A 33 3.603 -10.372 -6.933 1.00 0.00 O ATOM 535 CB SER A 33 5.494 -12.803 -7.205 1.00 0.00 C ATOM 536 OG SER A 33 5.198 -13.264 -8.507 1.00 0.00 O ATOM 0 H SER A 33 3.930 -14.606 -6.879 1.00 0.00 H new ATOM 0 HA SER A 33 4.396 -12.214 -5.397 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.038 -11.860 -7.262 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.145 -13.517 -6.700 1.00 0.00 H new ATOM 0 HG SER A 33 6.031 -13.379 -9.010 1.00 0.00 H new ATOM 542 N ASP A 34 2.318 -11.983 -7.841 1.00 0.00 N ATOM 543 CA ASP A 34 1.599 -11.106 -8.751 1.00 0.00 C ATOM 544 C ASP A 34 0.600 -10.211 -8.005 1.00 0.00 C ATOM 545 O ASP A 34 -0.587 -10.525 -7.941 1.00 0.00 O ATOM 546 CB ASP A 34 0.939 -11.967 -9.838 1.00 0.00 C ATOM 547 CG ASP A 34 0.159 -11.147 -10.864 1.00 0.00 C ATOM 548 OD1 ASP A 34 0.549 -9.980 -11.089 1.00 0.00 O ATOM 549 OD2 ASP A 34 -0.808 -11.712 -11.419 1.00 0.00 O ATOM 0 H ASP A 34 1.983 -12.946 -7.848 1.00 0.00 H new ATOM 0 HA ASP A 34 2.294 -10.417 -9.230 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.708 -12.544 -10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.265 -12.683 -9.366 1.00 0.00 H new ATOM 554 N ILE A 35 1.093 -9.091 -7.452 1.00 0.00 N ATOM 555 CA ILE A 35 0.285 -8.056 -6.813 1.00 0.00 C ATOM 556 C ILE A 35 0.586 -6.676 -7.388 1.00 0.00 C ATOM 557 O ILE A 35 1.720 -6.360 -7.746 1.00 0.00 O ATOM 558 CB ILE A 35 0.427 -8.106 -5.282 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.513 -7.149 -4.532 1.00 0.00 C ATOM 560 CG2 ILE A 35 1.851 -7.844 -4.824 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.565 -7.465 -3.034 1.00 0.00 C ATOM 0 H ILE A 35 2.091 -8.881 -7.440 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.762 -8.259 -7.037 1.00 0.00 H new ATOM 0 HB ILE A 35 0.139 -9.126 -5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.177 -6.122 -4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.516 -7.219 -4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.898 -7.890 -3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.514 -8.598 -5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.165 -6.855 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.240 -6.767 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.926 -8.483 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.433 -7.370 -2.607 1.00 0.00 H new ATOM 573 N GLU A 36 -0.476 -5.875 -7.466 1.00 0.00 N ATOM 574 CA GLU A 36 -0.541 -4.578 -8.111 1.00 0.00 C ATOM 575 C GLU A 36 -0.915 -3.540 -7.056 1.00 0.00 C ATOM 576 O GLU A 36 -2.011 -3.611 -6.499 1.00 0.00 O ATOM 577 CB GLU A 36 -1.594 -4.610 -9.224 1.00 0.00 C ATOM 578 CG GLU A 36 -1.518 -5.894 -10.052 1.00 0.00 C ATOM 579 CD GLU A 36 -2.441 -5.813 -11.263 1.00 0.00 C ATOM 580 OE1 GLU A 36 -3.669 -5.890 -11.043 1.00 0.00 O ATOM 581 OE2 GLU A 36 -1.907 -5.659 -12.383 1.00 0.00 O ATOM 0 H GLU A 36 -1.369 -6.139 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 36 0.421 -4.323 -8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.588 -4.521 -8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.456 -3.749 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.492 -6.059 -10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.796 -6.748 -9.434 1.00 0.00 H new ATOM 588 N VAL A 37 0.001 -2.608 -6.761 1.00 0.00 N ATOM 589 CA VAL A 37 -0.180 -1.609 -5.714 1.00 0.00 C ATOM 590 C VAL A 37 0.239 -0.244 -6.244 1.00 0.00 C ATOM 591 O VAL A 37 1.385 0.170 -6.079 1.00 0.00 O ATOM 592 CB VAL A 37 0.568 -2.024 -4.434 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.276 -1.106 -3.239 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.154 -3.445 -4.051 1.00 0.00 C ATOM 0 H VAL A 37 0.893 -2.531 -7.249 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.232 -1.540 -5.435 1.00 0.00 H new ATOM 0 HB VAL A 37 1.633 -1.954 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.834 -1.453 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.578 -0.087 -3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.791 -1.125 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.680 -3.746 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.921 -3.475 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.407 -4.129 -4.861 1.00 0.00 H new ATOM 604 N ASP A 38 -0.717 0.453 -6.868 1.00 0.00 N ATOM 605 CA ASP A 38 -0.580 1.836 -7.285 1.00 0.00 C ATOM 606 C ASP A 38 -1.135 2.709 -6.166 1.00 0.00 C ATOM 607 O ASP A 38 -2.233 2.471 -5.661 1.00 0.00 O ATOM 608 CB ASP A 38 -1.298 2.095 -8.619 1.00 0.00 C ATOM 609 CG ASP A 38 -2.746 1.620 -8.612 1.00 0.00 C ATOM 610 OD1 ASP A 38 -2.938 0.385 -8.625 1.00 0.00 O ATOM 611 OD2 ASP A 38 -3.637 2.496 -8.591 1.00 0.00 O ATOM 0 H ASP A 38 -1.627 0.053 -7.099 1.00 0.00 H new ATOM 0 HA ASP A 38 0.469 2.076 -7.459 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.272 3.162 -8.839 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.759 1.590 -9.421 1.00 0.00 H new ATOM 616 N LEU A 39 -0.348 3.709 -5.767 1.00 0.00 N ATOM 617 CA LEU A 39 -0.728 4.677 -4.766 1.00 0.00 C ATOM 618 C LEU A 39 -1.351 5.844 -5.527 1.00 0.00 C ATOM 619 O LEU A 39 -0.790 6.293 -6.528 1.00 0.00 O ATOM 620 CB LEU A 39 0.496 5.072 -3.937 1.00 0.00 C ATOM 621 CG LEU A 39 1.086 3.901 -3.128 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.032 3.003 -3.934 1.00 0.00 C ATOM 623 CD2 LEU A 39 1.851 4.454 -1.918 1.00 0.00 C ATOM 0 H LEU A 39 0.587 3.862 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.451 4.288 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.264 5.469 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.220 5.875 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 39 0.240 3.284 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.406 2.203 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.494 2.572 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.870 3.595 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.270 3.628 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.657 5.102 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.170 5.026 -1.288 1.00 0.00 H new ATOM 635 N LEU A 40 -2.553 6.255 -5.112 1.00 0.00 N ATOM 636 CA LEU A 40 -3.476 6.996 -5.954 1.00 0.00 C ATOM 637 C LEU A 40 -4.265 7.938 -5.054 1.00 0.00 C ATOM 638 O LEU A 40 -4.985 7.479 -4.170 1.00 0.00 O ATOM 639 CB LEU A 40 -4.371 5.984 -6.688 1.00 0.00 C ATOM 640 CG LEU A 40 -5.063 6.481 -7.969 1.00 0.00 C ATOM 641 CD1 LEU A 40 -5.933 7.720 -7.751 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.056 6.739 -9.094 1.00 0.00 C ATOM 0 H LEU A 40 -2.909 6.077 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.969 7.596 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.765 5.115 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.140 5.644 -5.995 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.729 5.671 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.390 8.015 -8.696 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.714 7.493 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.316 8.537 -7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.584 7.089 -9.981 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.340 7.497 -8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.526 5.815 -9.327 1.00 0.00 H new ATOM 654 N LYS A 41 -4.097 9.252 -5.244 1.00 0.00 N ATOM 655 CA LYS A 41 -4.668 10.255 -4.374 1.00 0.00 C ATOM 656 C LYS A 41 -6.152 10.490 -4.690 1.00 0.00 C ATOM 657 O LYS A 41 -6.891 9.547 -4.967 1.00 0.00 O ATOM 658 CB LYS A 41 -3.816 11.516 -4.530 1.00 0.00 C ATOM 659 CG LYS A 41 -2.323 11.241 -4.339 1.00 0.00 C ATOM 660 CD LYS A 41 -1.505 12.306 -5.058 1.00 0.00 C ATOM 661 CE LYS A 41 -1.950 13.689 -4.598 1.00 0.00 C ATOM 662 NZ LYS A 41 -0.991 14.752 -4.929 1.00 0.00 N ATOM 0 H LYS A 41 -3.554 9.640 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.651 9.931 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.980 11.941 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.141 12.262 -3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.078 11.237 -3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.073 10.254 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.444 12.166 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.634 12.211 -6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.912 13.923 -5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.104 13.672 -3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.304 15.647 -4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.052 14.500 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.937 14.862 -5.962 1.00 0.00 H new ATOM 676 N ASN A 42 -6.583 11.758 -4.678 1.00 0.00 N ATOM 677 CA ASN A 42 -7.905 12.184 -5.117 1.00 0.00 C ATOM 678 C ASN A 42 -8.161 11.820 -6.584 1.00 0.00 C ATOM 679 O ASN A 42 -9.282 11.466 -6.941 1.00 0.00 O ATOM 680 CB ASN A 42 -8.099 13.687 -4.848 1.00 0.00 C ATOM 681 CG ASN A 42 -6.871 14.560 -5.128 1.00 0.00 C ATOM 682 OD1 ASN A 42 -6.342 15.185 -4.215 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.397 14.609 -6.374 1.00 0.00 N ATOM 0 H ASN A 42 -6.002 12.531 -4.353 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.650 11.643 -4.534 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.928 14.046 -5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.390 13.819 -3.806 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.576 15.176 -6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.856 14.079 -7.115 1.00 0.00 H new ATOM 690 N GLY A 43 -7.127 11.890 -7.428 1.00 0.00 N ATOM 691 CA GLY A 43 -7.218 11.537 -8.836 1.00 0.00 C ATOM 692 C GLY A 43 -5.887 11.786 -9.541 1.00 0.00 C ATOM 693 O GLY A 43 -5.860 12.322 -10.647 1.00 0.00 O ATOM 0 H GLY A 43 -6.197 12.197 -7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.498 10.488 -8.936 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.003 12.123 -9.313 1.00 0.00 H new ATOM 697 N GLU A 44 -4.788 11.403 -8.883 1.00 0.00 N ATOM 698 CA GLU A 44 -3.426 11.592 -9.349 1.00 0.00 C ATOM 699 C GLU A 44 -2.573 10.494 -8.717 1.00 0.00 C ATOM 700 O GLU A 44 -2.643 10.295 -7.506 1.00 0.00 O ATOM 701 CB GLU A 44 -2.960 12.987 -8.915 1.00 0.00 C ATOM 702 CG GLU A 44 -1.511 13.286 -9.310 1.00 0.00 C ATOM 703 CD GLU A 44 -1.093 14.661 -8.800 1.00 0.00 C ATOM 704 OE1 GLU A 44 -1.379 15.645 -9.515 1.00 0.00 O ATOM 705 OE2 GLU A 44 -0.518 14.704 -7.690 1.00 0.00 O ATOM 0 H GLU A 44 -4.833 10.936 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.345 11.527 -10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.614 13.737 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.062 13.077 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.851 12.523 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.408 13.247 -10.394 1.00 0.00 H new ATOM 712 N ARG A 45 -1.781 9.775 -9.523 1.00 0.00 N ATOM 713 CA ARG A 45 -0.908 8.729 -9.007 1.00 0.00 C ATOM 714 C ARG A 45 0.377 9.327 -8.445 1.00 0.00 C ATOM 715 O ARG A 45 0.802 10.408 -8.852 1.00 0.00 O ATOM 716 CB ARG A 45 -0.643 7.645 -10.059 1.00 0.00 C ATOM 717 CG ARG A 45 0.297 8.092 -11.183 1.00 0.00 C ATOM 718 CD ARG A 45 0.578 6.908 -12.109 1.00 0.00 C ATOM 719 NE ARG A 45 1.591 7.266 -13.112 1.00 0.00 N ATOM 720 CZ ARG A 45 2.334 6.391 -13.812 1.00 0.00 C ATOM 721 NH1 ARG A 45 2.122 5.072 -13.707 1.00 0.00 N ATOM 722 NH2 ARG A 45 3.300 6.844 -14.622 1.00 0.00 N ATOM 0 H ARG A 45 -1.731 9.903 -10.534 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.420 8.233 -8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.216 6.771 -9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.593 7.334 -10.494 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.154 8.909 -11.746 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.230 8.470 -10.764 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.923 6.055 -11.524 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.342 6.602 -12.607 1.00 0.00 H new ATOM 0 HE ARG A 45 1.743 8.259 -13.292 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.389 4.721 -13.090 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.693 4.419 -14.244 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.468 7.847 -14.705 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.868 6.186 -15.156 1.00 0.00 H new ATOM 736 N ILE A 46 0.999 8.613 -7.506 1.00 0.00 N ATOM 737 CA ILE A 46 2.225 9.010 -6.874 1.00 0.00 C ATOM 738 C ILE A 46 3.375 8.756 -7.846 1.00 0.00 C ATOM 739 O ILE A 46 3.473 7.682 -8.439 1.00 0.00 O ATOM 740 CB ILE A 46 2.356 8.165 -5.607 1.00 0.00 C ATOM 741 CG1 ILE A 46 1.195 8.349 -4.612 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.676 8.457 -4.926 1.00 0.00 C ATOM 743 CD1 ILE A 46 1.085 9.715 -3.943 1.00 0.00 C ATOM 0 H ILE A 46 0.641 7.720 -7.166 1.00 0.00 H new ATOM 0 HA ILE A 46 2.241 10.068 -6.611 1.00 0.00 H new ATOM 0 HB ILE A 46 2.317 7.124 -5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.261 8.149 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.290 7.593 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.762 7.851 -4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.496 8.218 -5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.722 9.513 -4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.231 9.721 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.996 9.919 -3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.950 10.483 -4.704 1.00 0.00 H new ATOM 755 N GLU A 47 4.260 9.747 -7.971 1.00 0.00 N ATOM 756 CA GLU A 47 5.511 9.621 -8.703 1.00 0.00 C ATOM 757 C GLU A 47 6.518 8.852 -7.844 1.00 0.00 C ATOM 758 O GLU A 47 7.010 7.800 -8.247 1.00 0.00 O ATOM 759 CB GLU A 47 6.069 11.009 -9.048 1.00 0.00 C ATOM 760 CG GLU A 47 5.149 11.824 -9.964 1.00 0.00 C ATOM 761 CD GLU A 47 5.797 13.155 -10.341 1.00 0.00 C ATOM 762 OE1 GLU A 47 6.344 13.805 -9.423 1.00 0.00 O ATOM 763 OE2 GLU A 47 5.741 13.495 -11.542 1.00 0.00 O ATOM 0 H GLU A 47 4.121 10.670 -7.559 1.00 0.00 H new ATOM 0 HA GLU A 47 5.332 9.080 -9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.236 11.565 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.040 10.893 -9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.929 11.253 -10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.199 12.007 -9.463 1.00 0.00 H new ATOM 770 N LYS A 48 6.829 9.404 -6.664 1.00 0.00 N ATOM 771 CA LYS A 48 7.870 8.920 -5.772 1.00 0.00 C ATOM 772 C LYS A 48 7.361 7.741 -4.942 1.00 0.00 C ATOM 773 O LYS A 48 7.170 7.867 -3.734 1.00 0.00 O ATOM 774 CB LYS A 48 8.345 10.068 -4.868 1.00 0.00 C ATOM 775 CG LYS A 48 8.991 11.208 -5.664 1.00 0.00 C ATOM 776 CD LYS A 48 9.411 12.320 -4.697 1.00 0.00 C ATOM 777 CE LYS A 48 10.105 13.482 -5.414 1.00 0.00 C ATOM 778 NZ LYS A 48 9.203 14.171 -6.356 1.00 0.00 N ATOM 0 H LYS A 48 6.344 10.224 -6.300 1.00 0.00 H new ATOM 0 HA LYS A 48 8.715 8.567 -6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.498 10.457 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.062 9.683 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.858 10.839 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.289 11.597 -6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.532 12.693 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.082 11.909 -3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.472 14.196 -4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.974 13.107 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.686 15.001 -6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.940 13.520 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.346 14.478 -5.854 1.00 0.00 H new ATOM 792 N VAL A 49 7.172 6.589 -5.595 1.00 0.00 N ATOM 793 CA VAL A 49 6.907 5.324 -4.928 1.00 0.00 C ATOM 794 C VAL A 49 8.237 4.584 -4.817 1.00 0.00 C ATOM 795 O VAL A 49 8.731 4.055 -5.812 1.00 0.00 O ATOM 796 CB VAL A 49 5.875 4.492 -5.710 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.554 3.199 -4.946 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.577 5.276 -5.927 1.00 0.00 C ATOM 0 H VAL A 49 7.200 6.515 -6.612 1.00 0.00 H new ATOM 0 HA VAL A 49 6.483 5.496 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 49 6.309 4.255 -6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.823 2.617 -5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.465 2.614 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.146 3.447 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.869 4.661 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.147 5.542 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.790 6.183 -6.492 1.00 0.00 H new ATOM 808 N GLU A 50 8.806 4.534 -3.608 1.00 0.00 N ATOM 809 CA GLU A 50 9.914 3.646 -3.303 1.00 0.00 C ATOM 810 C GLU A 50 9.295 2.341 -2.798 1.00 0.00 C ATOM 811 O GLU A 50 8.115 2.309 -2.443 1.00 0.00 O ATOM 812 CB GLU A 50 10.840 4.328 -2.284 1.00 0.00 C ATOM 813 CG GLU A 50 12.236 3.706 -2.217 1.00 0.00 C ATOM 814 CD GLU A 50 13.077 4.389 -1.143 1.00 0.00 C ATOM 815 OE1 GLU A 50 12.862 4.053 0.043 1.00 0.00 O ATOM 816 OE2 GLU A 50 13.907 5.243 -1.523 1.00 0.00 O ATOM 0 H GLU A 50 8.507 5.109 -2.821 1.00 0.00 H new ATOM 0 HA GLU A 50 10.538 3.422 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.933 5.384 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.381 4.278 -1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.155 2.641 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.728 3.798 -3.185 1.00 0.00 H new ATOM 823 N HIS A 51 10.070 1.257 -2.772 1.00 0.00 N ATOM 824 CA HIS A 51 9.610 0.003 -2.207 1.00 0.00 C ATOM 825 C HIS A 51 10.780 -0.739 -1.578 1.00 0.00 C ATOM 826 O HIS A 51 11.911 -0.643 -2.052 1.00 0.00 O ATOM 827 CB HIS A 51 8.917 -0.853 -3.276 1.00 0.00 C ATOM 828 CG HIS A 51 9.861 -1.367 -4.332 1.00 0.00 C ATOM 829 ND1 HIS A 51 10.395 -2.654 -4.267 1.00 0.00 N ATOM 830 CD2 HIS A 51 10.372 -0.729 -5.431 1.00 0.00 C ATOM 831 CE1 HIS A 51 11.213 -2.738 -5.320 1.00 0.00 C ATOM 832 NE2 HIS A 51 11.229 -1.613 -6.053 1.00 0.00 N ATOM 0 H HIS A 51 11.021 1.229 -3.139 1.00 0.00 H new ATOM 0 HA HIS A 51 8.876 0.212 -1.429 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.428 -1.699 -2.793 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.135 -0.263 -3.754 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.146 0.278 -5.751 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.798 -3.615 -5.556 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.768 -1.445 -6.902 1.00 0.00 H new ATOM 840 N SER A 52 10.483 -1.502 -0.525 1.00 0.00 N ATOM 841 CA SER A 52 11.387 -2.512 -0.010 1.00 0.00 C ATOM 842 C SER A 52 11.293 -3.721 -0.940 1.00 0.00 C ATOM 843 O SER A 52 10.194 -4.218 -1.184 1.00 0.00 O ATOM 844 CB SER A 52 10.999 -2.871 1.426 1.00 0.00 C ATOM 845 OG SER A 52 11.914 -3.800 1.966 1.00 0.00 O ATOM 0 H SER A 52 9.606 -1.431 -0.010 1.00 0.00 H new ATOM 0 HA SER A 52 12.415 -2.151 0.018 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.980 -1.971 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.993 -3.290 1.444 1.00 0.00 H new ATOM 0 HG SER A 52 11.654 -4.019 2.885 1.00 0.00 H new ATOM 851 N ASP A 53 12.437 -4.167 -1.472 1.00 0.00 N ATOM 852 CA ASP A 53 12.524 -5.255 -2.440 1.00 0.00 C ATOM 853 C ASP A 53 11.912 -6.545 -1.891 1.00 0.00 C ATOM 854 O ASP A 53 11.774 -6.704 -0.678 1.00 0.00 O ATOM 855 CB ASP A 53 13.987 -5.465 -2.845 1.00 0.00 C ATOM 856 CG ASP A 53 14.562 -4.216 -3.504 1.00 0.00 C ATOM 857 OD1 ASP A 53 15.083 -3.365 -2.749 1.00 0.00 O ATOM 858 OD2 ASP A 53 14.456 -4.127 -4.746 1.00 0.00 O ATOM 0 H ASP A 53 13.345 -3.769 -1.233 1.00 0.00 H new ATOM 0 HA ASP A 53 11.947 -4.982 -3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.578 -5.720 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.059 -6.308 -3.532 1.00 0.00 H new ATOM 863 N LEU A 54 11.516 -7.450 -2.798 1.00 0.00 N ATOM 864 CA LEU A 54 10.692 -8.604 -2.461 1.00 0.00 C ATOM 865 C LEU A 54 11.355 -9.441 -1.371 1.00 0.00 C ATOM 866 O LEU A 54 12.462 -9.943 -1.555 1.00 0.00 O ATOM 867 CB LEU A 54 10.370 -9.437 -3.720 1.00 0.00 C ATOM 868 CG LEU A 54 9.296 -10.532 -3.529 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.821 -11.834 -2.911 1.00 0.00 C ATOM 870 CD2 LEU A 54 8.117 -10.004 -2.718 1.00 0.00 C ATOM 0 H LEU A 54 11.762 -7.396 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 54 9.742 -8.248 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.040 -8.761 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.289 -9.909 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 54 8.968 -10.788 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.002 -12.546 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.594 -12.256 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.241 -11.626 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.375 -10.794 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.466 -9.681 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.666 -9.159 -3.239 1.00 0.00 H new ATOM 882 N SER A 55 10.652 -9.588 -0.244 1.00 0.00 N ATOM 883 CA SER A 55 11.048 -10.417 0.875 1.00 0.00 C ATOM 884 C SER A 55 9.864 -11.310 1.211 1.00 0.00 C ATOM 885 O SER A 55 8.950 -10.888 1.909 1.00 0.00 O ATOM 886 CB SER A 55 11.445 -9.532 2.062 1.00 0.00 C ATOM 887 OG SER A 55 11.923 -10.334 3.124 1.00 0.00 O ATOM 0 H SER A 55 9.763 -9.113 -0.090 1.00 0.00 H new ATOM 0 HA SER A 55 11.915 -11.032 0.632 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.214 -8.823 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.587 -8.948 2.394 1.00 0.00 H new ATOM 0 HG SER A 55 12.176 -9.761 3.878 1.00 0.00 H new ATOM 893 N PHE A 56 9.878 -12.554 0.727 1.00 0.00 N ATOM 894 CA PHE A 56 8.843 -13.526 1.045 1.00 0.00 C ATOM 895 C PHE A 56 9.121 -14.238 2.375 1.00 0.00 C ATOM 896 O PHE A 56 8.524 -15.278 2.650 1.00 0.00 O ATOM 897 CB PHE A 56 8.681 -14.505 -0.131 1.00 0.00 C ATOM 898 CG PHE A 56 9.815 -15.488 -0.340 1.00 0.00 C ATOM 899 CD1 PHE A 56 10.999 -15.088 -0.986 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.691 -16.804 0.143 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.098 -15.964 -1.040 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.781 -17.688 0.066 1.00 0.00 C ATOM 903 CZ PHE A 56 11.989 -17.264 -0.513 1.00 0.00 C ATOM 0 H PHE A 56 10.606 -12.910 0.107 1.00 0.00 H new ATOM 0 HA PHE A 56 7.895 -13.006 1.184 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.760 -15.069 0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.556 -13.925 -1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.064 -14.110 -1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.757 -17.135 0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.026 -15.639 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.690 -18.693 0.452 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.834 -17.936 -0.554 1.00 0.00 H new ATOM 913 N SER A 57 10.051 -13.701 3.181 1.00 0.00 N ATOM 914 CA SER A 57 10.807 -14.456 4.167 1.00 0.00 C ATOM 915 C SER A 57 11.424 -15.678 3.472 1.00 0.00 C ATOM 916 O SER A 57 11.709 -15.635 2.277 1.00 0.00 O ATOM 917 CB SER A 57 9.931 -14.805 5.381 1.00 0.00 C ATOM 918 OG SER A 57 10.725 -15.292 6.443 1.00 0.00 O ATOM 0 H SER A 57 10.296 -12.711 3.157 1.00 0.00 H new ATOM 0 HA SER A 57 11.624 -13.858 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.382 -13.921 5.706 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.191 -15.554 5.099 1.00 0.00 H new ATOM 0 HG SER A 57 10.152 -15.508 7.208 1.00 0.00 H new ATOM 924 N LYS A 58 11.618 -16.766 4.215 1.00 0.00 N ATOM 925 CA LYS A 58 11.931 -18.086 3.680 1.00 0.00 C ATOM 926 C LYS A 58 10.686 -18.962 3.673 1.00 0.00 C ATOM 927 O LYS A 58 10.575 -19.870 2.850 1.00 0.00 O ATOM 928 CB LYS A 58 13.059 -18.702 4.509 1.00 0.00 C ATOM 929 CG LYS A 58 14.376 -18.020 4.120 1.00 0.00 C ATOM 930 CD LYS A 58 15.488 -18.372 5.110 1.00 0.00 C ATOM 931 CE LYS A 58 16.788 -17.672 4.696 1.00 0.00 C ATOM 932 NZ LYS A 58 17.856 -17.883 5.687 1.00 0.00 N ATOM 0 H LYS A 58 11.560 -16.751 5.233 1.00 0.00 H new ATOM 0 HA LYS A 58 12.268 -18.003 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.863 -18.569 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.120 -19.775 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.667 -18.329 3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.236 -16.939 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.203 -18.065 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.637 -19.451 5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.112 -18.048 3.726 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.605 -16.604 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.720 -17.396 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.556 -17.501 6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.047 -18.901 5.780 1.00 0.00 H new ATOM 946 N ASP A 59 9.764 -18.697 4.603 1.00 0.00 N ATOM 947 CA ASP A 59 8.605 -19.531 4.833 1.00 0.00 C ATOM 948 C ASP A 59 7.489 -19.231 3.827 1.00 0.00 C ATOM 949 O ASP A 59 7.669 -18.466 2.879 1.00 0.00 O ATOM 950 CB ASP A 59 8.138 -19.334 6.283 1.00 0.00 C ATOM 951 CG ASP A 59 9.252 -19.639 7.281 1.00 0.00 C ATOM 952 OD1 ASP A 59 9.354 -20.820 7.678 1.00 0.00 O ATOM 953 OD2 ASP A 59 9.988 -18.687 7.619 1.00 0.00 O ATOM 0 H ASP A 59 9.812 -17.885 5.219 1.00 0.00 H new ATOM 0 HA ASP A 59 8.873 -20.577 4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.798 -18.307 6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.284 -19.982 6.482 1.00 0.00 H new ATOM 958 N TRP A 60 6.328 -19.857 4.045 1.00 0.00 N ATOM 959 CA TRP A 60 5.161 -19.775 3.184 1.00 0.00 C ATOM 960 C TRP A 60 4.445 -18.435 3.372 1.00 0.00 C ATOM 961 O TRP A 60 3.421 -18.363 4.047 1.00 0.00 O ATOM 962 CB TRP A 60 4.239 -20.966 3.479 1.00 0.00 C ATOM 963 CG TRP A 60 4.819 -22.312 3.162 1.00 0.00 C ATOM 964 CD1 TRP A 60 5.717 -22.983 3.917 1.00 0.00 C ATOM 965 CD2 TRP A 60 4.567 -23.157 2.000 1.00 0.00 C ATOM 966 NE1 TRP A 60 6.052 -24.173 3.305 1.00 0.00 N ATOM 967 CE2 TRP A 60 5.373 -24.328 2.113 1.00 0.00 C ATOM 968 CE3 TRP A 60 3.737 -23.057 0.862 1.00 0.00 C ATOM 969 CZ2 TRP A 60 5.367 -25.340 1.142 1.00 0.00 C ATOM 970 CZ3 TRP A 60 3.717 -24.070 -0.115 1.00 0.00 C ATOM 971 CH2 TRP A 60 4.537 -25.205 0.018 1.00 0.00 C ATOM 0 H TRP A 60 6.178 -20.455 4.858 1.00 0.00 H new ATOM 0 HA TRP A 60 5.466 -19.824 2.139 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.968 -20.944 4.535 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.317 -20.842 2.911 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.114 -22.638 4.860 1.00 0.00 H new ATOM 0 HE1 TRP A 60 6.715 -24.850 3.684 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.107 -22.189 0.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.993 -26.212 1.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.068 -23.975 -0.973 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.528 -25.971 -0.743 1.00 0.00 H new ATOM 982 N SER A 61 4.980 -17.383 2.744 1.00 0.00 N ATOM 983 CA SER A 61 4.352 -16.075 2.604 1.00 0.00 C ATOM 984 C SER A 61 4.937 -15.396 1.363 1.00 0.00 C ATOM 985 O SER A 61 5.614 -16.049 0.574 1.00 0.00 O ATOM 986 CB SER A 61 4.578 -15.236 3.869 1.00 0.00 C ATOM 987 OG SER A 61 3.740 -14.095 3.859 1.00 0.00 O ATOM 0 H SER A 61 5.899 -17.426 2.304 1.00 0.00 H new ATOM 0 HA SER A 61 3.274 -16.179 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.373 -15.838 4.754 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.622 -14.928 3.928 1.00 0.00 H new ATOM 0 HG SER A 61 3.893 -13.570 4.672 1.00 0.00 H new ATOM 993 N PHE A 62 4.672 -14.095 1.197 1.00 0.00 N ATOM 994 CA PHE A 62 5.154 -13.262 0.103 1.00 0.00 C ATOM 995 C PHE A 62 4.796 -11.821 0.467 1.00 0.00 C ATOM 996 O PHE A 62 3.629 -11.564 0.764 1.00 0.00 O ATOM 997 CB PHE A 62 4.521 -13.690 -1.230 1.00 0.00 C ATOM 998 CG PHE A 62 5.516 -13.823 -2.359 1.00 0.00 C ATOM 999 CD1 PHE A 62 6.250 -15.014 -2.503 1.00 0.00 C ATOM 1000 CD2 PHE A 62 5.778 -12.741 -3.212 1.00 0.00 C ATOM 1001 CE1 PHE A 62 7.214 -15.140 -3.509 1.00 0.00 C ATOM 1002 CE2 PHE A 62 6.738 -12.871 -4.227 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.458 -14.068 -4.380 1.00 0.00 C ATOM 0 H PHE A 62 4.089 -13.576 1.854 1.00 0.00 H new ATOM 0 HA PHE A 62 6.231 -13.364 -0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.013 -14.644 -1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.760 -12.962 -1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.068 -15.839 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.243 -11.811 -3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.769 -16.060 -3.615 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.925 -12.044 -4.896 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.195 -14.162 -5.164 1.00 0.00 H new ATOM 1013 N TYR A 63 5.765 -10.890 0.506 1.00 0.00 N ATOM 1014 CA TYR A 63 5.437 -9.535 0.940 1.00 0.00 C ATOM 1015 C TYR A 63 6.525 -8.534 0.568 1.00 0.00 C ATOM 1016 O TYR A 63 7.642 -8.897 0.210 1.00 0.00 O ATOM 1017 CB TYR A 63 5.270 -9.467 2.454 1.00 0.00 C ATOM 1018 CG TYR A 63 6.410 -9.977 3.278 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.379 -9.058 3.710 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.431 -11.302 3.732 1.00 0.00 C ATOM 1021 CE1 TYR A 63 8.391 -9.465 4.586 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.450 -11.715 4.599 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.443 -10.806 5.015 1.00 0.00 C ATOM 1024 OH TYR A 63 9.451 -11.223 5.834 1.00 0.00 O ATOM 0 H TYR A 63 6.741 -11.046 0.252 1.00 0.00 H new ATOM 0 HA TYR A 63 4.506 -9.280 0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.088 -8.428 2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.376 -10.030 2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.343 -8.035 3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.668 -11.999 3.416 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.128 -8.755 4.931 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.475 -12.736 4.951 1.00 0.00 H new ATOM 0 HH TYR A 63 9.073 -11.704 6.599 1.00 0.00 H new ATOM 1034 N LEU A 64 6.182 -7.253 0.707 1.00 0.00 N ATOM 1035 CA LEU A 64 6.976 -6.120 0.261 1.00 0.00 C ATOM 1036 C LEU A 64 6.329 -4.857 0.832 1.00 0.00 C ATOM 1037 O LEU A 64 5.132 -4.854 1.115 1.00 0.00 O ATOM 1038 CB LEU A 64 7.140 -6.101 -1.280 1.00 0.00 C ATOM 1039 CG LEU A 64 5.871 -5.865 -2.123 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.112 -6.056 -3.629 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.760 -6.852 -1.786 1.00 0.00 C ATOM 0 H LEU A 64 5.308 -6.971 1.151 1.00 0.00 H new ATOM 0 HA LEU A 64 7.998 -6.189 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.862 -5.325 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.575 -7.053 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 64 5.592 -4.838 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.184 -5.877 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.872 -5.352 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.451 -7.075 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.888 -6.644 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.106 -7.868 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.490 -6.751 -0.735 1.00 0.00 H new ATOM 1053 N LEU A 65 7.130 -3.812 1.059 1.00 0.00 N ATOM 1054 CA LEU A 65 6.706 -2.544 1.633 1.00 0.00 C ATOM 1055 C LEU A 65 6.713 -1.512 0.505 1.00 0.00 C ATOM 1056 O LEU A 65 7.607 -1.564 -0.334 1.00 0.00 O ATOM 1057 CB LEU A 65 7.688 -2.193 2.758 1.00 0.00 C ATOM 1058 CG LEU A 65 7.009 -1.565 3.978 1.00 0.00 C ATOM 1059 CD1 LEU A 65 8.079 -1.321 5.041 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.292 -0.264 3.616 1.00 0.00 C ATOM 0 H LEU A 65 8.126 -3.832 0.838 1.00 0.00 H new ATOM 0 HA LEU A 65 5.704 -2.579 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.213 -3.096 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.439 -1.503 2.373 1.00 0.00 H new ATOM 0 HG LEU A 65 6.246 -2.244 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.621 -0.873 5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.543 -2.269 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.838 -0.647 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.822 0.153 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.013 0.450 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.529 -0.466 2.864 1.00 0.00 H new ATOM 1072 N TYR A 66 5.708 -0.626 0.442 1.00 0.00 N ATOM 1073 CA TYR A 66 5.465 0.226 -0.714 1.00 0.00 C ATOM 1074 C TYR A 66 5.118 1.643 -0.232 1.00 0.00 C ATOM 1075 O TYR A 66 3.978 1.902 0.153 1.00 0.00 O ATOM 1076 CB TYR A 66 4.329 -0.353 -1.589 1.00 0.00 C ATOM 1077 CG TYR A 66 4.231 -1.864 -1.791 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.805 -2.682 -0.724 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.157 -2.381 -3.101 1.00 0.00 C ATOM 1080 CE1 TYR A 66 3.179 -3.909 -0.967 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.502 -3.603 -3.345 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.929 -4.315 -2.281 1.00 0.00 C ATOM 1083 OH TYR A 66 2.141 -5.401 -2.516 1.00 0.00 O ATOM 0 H TYR A 66 5.041 -0.486 1.201 1.00 0.00 H new ATOM 0 HA TYR A 66 6.365 0.268 -1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.384 -0.019 -1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.411 0.104 -2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.964 -2.357 0.294 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.604 -1.837 -3.920 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.889 -4.542 -0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.441 -3.992 -4.351 1.00 0.00 H new ATOM 0 HH TYR A 66 1.956 -5.470 -3.476 1.00 0.00 H new ATOM 1093 N TYR A 67 6.120 2.533 -0.200 1.00 0.00 N ATOM 1094 CA TYR A 67 6.047 3.784 0.553 1.00 0.00 C ATOM 1095 C TYR A 67 6.404 5.036 -0.253 1.00 0.00 C ATOM 1096 O TYR A 67 7.105 4.978 -1.261 1.00 0.00 O ATOM 1097 CB TYR A 67 6.884 3.685 1.839 1.00 0.00 C ATOM 1098 CG TYR A 67 8.213 2.951 1.814 1.00 0.00 C ATOM 1099 CD1 TYR A 67 9.015 2.918 0.662 1.00 0.00 C ATOM 1100 CD2 TYR A 67 8.648 2.287 2.974 1.00 0.00 C ATOM 1101 CE1 TYR A 67 10.205 2.173 0.648 1.00 0.00 C ATOM 1102 CE2 TYR A 67 9.859 1.576 2.975 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.633 1.505 1.805 1.00 0.00 C ATOM 1104 OH TYR A 67 11.793 0.788 1.795 1.00 0.00 O ATOM 0 H TYR A 67 7.001 2.402 -0.696 1.00 0.00 H new ATOM 0 HA TYR A 67 4.997 3.914 0.813 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.079 4.702 2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.262 3.208 2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.715 3.468 -0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.047 2.324 3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.793 2.114 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.195 1.084 3.876 1.00 0.00 H new ATOM 0 HH TYR A 67 11.940 0.391 2.679 1.00 0.00 H new ATOM 1114 N THR A 68 5.882 6.173 0.221 1.00 0.00 N ATOM 1115 CA THR A 68 5.948 7.456 -0.478 1.00 0.00 C ATOM 1116 C THR A 68 5.937 8.649 0.488 1.00 0.00 C ATOM 1117 O THR A 68 5.292 8.587 1.530 1.00 0.00 O ATOM 1118 CB THR A 68 4.777 7.569 -1.461 1.00 0.00 C ATOM 1119 OG1 THR A 68 4.931 8.767 -2.192 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.404 7.574 -0.783 1.00 0.00 C ATOM 0 H THR A 68 5.395 6.226 1.115 1.00 0.00 H new ATOM 0 HA THR A 68 6.894 7.487 -1.018 1.00 0.00 H new ATOM 0 HB THR A 68 4.804 6.688 -2.102 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.674 8.671 -2.824 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.624 7.656 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.271 6.648 -0.224 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.338 8.422 -0.101 1.00 0.00 H new ATOM 1128 N GLU A 69 6.596 9.751 0.111 1.00 0.00 N ATOM 1129 CA GLU A 69 6.649 10.999 0.865 1.00 0.00 C ATOM 1130 C GLU A 69 5.401 11.853 0.594 1.00 0.00 C ATOM 1131 O GLU A 69 5.467 12.849 -0.126 1.00 0.00 O ATOM 1132 CB GLU A 69 7.955 11.747 0.537 1.00 0.00 C ATOM 1133 CG GLU A 69 8.300 11.784 -0.962 1.00 0.00 C ATOM 1134 CD GLU A 69 9.433 12.763 -1.247 1.00 0.00 C ATOM 1135 OE1 GLU A 69 10.592 12.383 -0.977 1.00 0.00 O ATOM 1136 OE2 GLU A 69 9.123 13.867 -1.743 1.00 0.00 O ATOM 0 H GLU A 69 7.125 9.795 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 69 6.650 10.780 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.878 12.770 0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.776 11.275 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.586 10.787 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.417 12.070 -1.533 1.00 0.00 H new ATOM 1143 N PHE A 70 4.253 11.468 1.168 1.00 0.00 N ATOM 1144 CA PHE A 70 2.980 12.120 0.877 1.00 0.00 C ATOM 1145 C PHE A 70 2.852 13.474 1.574 1.00 0.00 C ATOM 1146 O PHE A 70 3.320 13.650 2.695 1.00 0.00 O ATOM 1147 CB PHE A 70 1.785 11.230 1.238 1.00 0.00 C ATOM 1148 CG PHE A 70 1.259 11.369 2.649 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.021 10.876 3.714 1.00 0.00 C ATOM 1150 CD2 PHE A 70 0.071 12.074 2.913 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.533 10.931 5.027 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.302 12.312 4.244 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.387 11.688 5.297 1.00 0.00 C ATOM 0 H PHE A 70 4.186 10.703 1.840 1.00 0.00 H new ATOM 0 HA PHE A 70 2.969 12.291 -0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.972 11.448 0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.070 10.190 1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.994 10.449 3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.547 12.428 2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.035 10.396 5.820 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.124 12.979 4.460 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.034 11.792 6.312 1.00 0.00 H new ATOM 1163 N THR A 71 2.189 14.412 0.895 1.00 0.00 N ATOM 1164 CA THR A 71 2.032 15.790 1.339 1.00 0.00 C ATOM 1165 C THR A 71 0.545 16.162 1.240 1.00 0.00 C ATOM 1166 O THR A 71 0.083 16.471 0.142 1.00 0.00 O ATOM 1167 CB THR A 71 2.901 16.680 0.435 1.00 0.00 C ATOM 1168 OG1 THR A 71 4.228 16.193 0.407 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.919 18.128 0.929 1.00 0.00 C ATOM 0 H THR A 71 1.737 14.225 -0.000 1.00 0.00 H new ATOM 0 HA THR A 71 2.351 15.925 2.373 1.00 0.00 H new ATOM 0 HB THR A 71 2.469 16.654 -0.565 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.774 16.765 -0.172 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.542 18.730 0.268 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.904 18.524 0.931 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.324 18.162 1.940 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.229 16.113 2.337 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.672 16.303 2.293 1.00 0.00 C ATOM 1179 C PRO A 72 -2.026 17.790 2.187 1.00 0.00 C ATOM 1180 O PRO A 72 -2.369 18.429 3.179 1.00 0.00 O ATOM 1181 CB PRO A 72 -2.201 15.654 3.572 1.00 0.00 C ATOM 1182 CG PRO A 72 -1.050 15.853 4.556 1.00 0.00 C ATOM 1183 CD PRO A 72 0.197 15.739 3.676 1.00 0.00 C ATOM 0 HA PRO A 72 -2.128 15.846 1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.117 16.133 3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.429 14.598 3.425 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.106 16.824 5.048 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.058 15.097 5.341 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.989 16.397 4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.595 14.724 3.691 1.00 0.00 H new ATOM 1191 N THR A 73 -1.950 18.334 0.969 1.00 0.00 N ATOM 1192 CA THR A 73 -2.273 19.722 0.673 1.00 0.00 C ATOM 1193 C THR A 73 -3.773 19.977 0.873 1.00 0.00 C ATOM 1194 O THR A 73 -4.590 19.631 0.022 1.00 0.00 O ATOM 1195 CB THR A 73 -1.793 20.088 -0.743 1.00 0.00 C ATOM 1196 OG1 THR A 73 -2.298 19.204 -1.724 1.00 0.00 O ATOM 1197 CG2 THR A 73 -0.263 20.083 -0.822 1.00 0.00 C ATOM 0 H THR A 73 -1.655 17.806 0.148 1.00 0.00 H new ATOM 0 HA THR A 73 -1.746 20.375 1.369 1.00 0.00 H new ATOM 0 HB THR A 73 -2.174 21.089 -0.945 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.970 19.474 -2.607 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.050 20.345 -1.833 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.140 20.810 -0.117 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.111 19.090 -0.572 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.119 20.581 2.017 1.00 0.00 N ATOM 1206 CA GLU A 74 -5.476 20.879 2.455 1.00 0.00 C ATOM 1207 C GLU A 74 -6.313 19.599 2.578 1.00 0.00 C ATOM 1208 O GLU A 74 -6.297 18.965 3.631 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.112 21.979 1.586 1.00 0.00 C ATOM 1210 CG GLU A 74 -7.439 22.461 2.189 1.00 0.00 C ATOM 1211 CD GLU A 74 -8.132 23.467 1.277 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -7.727 24.648 1.320 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -9.056 23.033 0.553 1.00 0.00 O ATOM 0 H GLU A 74 -3.419 20.888 2.692 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.441 21.295 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.423 22.819 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.283 21.598 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.096 21.607 2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.254 22.917 3.162 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.048 19.235 1.519 1.00 0.00 N ATOM 1221 CA LYS A 75 -7.968 18.103 1.491 1.00 0.00 C ATOM 1222 C LYS A 75 -7.477 17.042 0.495 1.00 0.00 C ATOM 1223 O LYS A 75 -8.279 16.282 -0.047 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.368 18.633 1.134 1.00 0.00 C ATOM 1225 CG LYS A 75 -10.503 17.711 1.606 1.00 0.00 C ATOM 1226 CD LYS A 75 -11.841 18.065 0.945 1.00 0.00 C ATOM 1227 CE LYS A 75 -12.322 19.476 1.305 1.00 0.00 C ATOM 1228 NZ LYS A 75 -13.617 19.777 0.670 1.00 0.00 N ATOM 0 H LYS A 75 -7.014 19.740 0.633 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.014 17.617 2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.501 19.619 1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.437 18.759 0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.248 16.676 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.603 17.784 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.740 17.985 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.595 17.339 1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.415 19.566 2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.580 20.208 0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.917 20.738 0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.520 19.714 -0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.330 19.092 0.993 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.161 16.980 0.251 1.00 0.00 N ATOM 1243 CA ASP A 76 -5.571 16.003 -0.650 1.00 0.00 C ATOM 1244 C ASP A 76 -5.534 14.646 0.056 1.00 0.00 C ATOM 1245 O ASP A 76 -4.670 14.409 0.899 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.186 16.486 -1.093 1.00 0.00 C ATOM 1247 CG ASP A 76 -3.559 15.647 -2.201 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -4.065 14.530 -2.444 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -2.563 16.134 -2.781 1.00 0.00 O ATOM 0 H ASP A 76 -5.482 17.610 0.677 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.168 15.888 -1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.265 17.518 -1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.520 16.485 -0.230 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.495 13.774 -0.273 1.00 0.00 N ATOM 1255 CA GLU A 77 -6.602 12.435 0.287 1.00 0.00 C ATOM 1256 C GLU A 77 -5.688 11.498 -0.495 1.00 0.00 C ATOM 1257 O GLU A 77 -5.751 11.463 -1.721 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.058 11.953 0.225 1.00 0.00 C ATOM 1259 CG GLU A 77 -8.206 10.536 0.805 1.00 0.00 C ATOM 1260 CD GLU A 77 -9.657 10.065 0.884 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -10.523 10.729 0.277 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -9.880 9.044 1.573 1.00 0.00 O ATOM 0 H GLU A 77 -7.229 13.990 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.295 12.444 1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.695 12.643 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.402 11.962 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.637 9.838 0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.768 10.512 1.803 1.00 0.00 H new ATOM 1269 N TYR A 78 -4.867 10.727 0.225 1.00 0.00 N ATOM 1270 CA TYR A 78 -3.998 9.702 -0.334 1.00 0.00 C ATOM 1271 C TYR A 78 -4.591 8.327 -0.037 1.00 0.00 C ATOM 1272 O TYR A 78 -5.208 8.130 1.009 1.00 0.00 O ATOM 1273 CB TYR A 78 -2.568 9.842 0.195 1.00 0.00 C ATOM 1274 CG TYR A 78 -1.789 11.002 -0.391 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.201 12.324 -0.150 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -0.651 10.764 -1.182 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -1.481 13.403 -0.684 1.00 0.00 C ATOM 1278 CE2 TYR A 78 0.065 11.851 -1.724 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.334 13.169 -1.456 1.00 0.00 C ATOM 1280 OH TYR A 78 0.393 14.213 -1.951 1.00 0.00 O ATOM 0 H TYR A 78 -4.791 10.805 1.239 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.938 9.825 -1.415 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.605 9.957 1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.027 8.918 -0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.079 12.511 0.451 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.326 9.752 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.810 14.415 -0.500 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.926 11.668 -2.350 1.00 0.00 H new ATOM 0 HH TYR A 78 0.351 14.966 -1.325 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.415 7.384 -0.970 1.00 0.00 N ATOM 1291 CA ALA A 79 -4.941 6.035 -0.852 1.00 0.00 C ATOM 1292 C ALA A 79 -4.034 5.048 -1.580 1.00 0.00 C ATOM 1293 O ALA A 79 -3.211 5.442 -2.405 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.366 5.983 -1.412 1.00 0.00 C ATOM 0 H ALA A 79 -3.897 7.546 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.971 5.753 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.756 4.969 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.002 6.668 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.355 6.275 -2.462 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.200 3.762 -1.253 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.474 2.649 -1.843 1.00 0.00 C ATOM 1302 C CYS A 80 -4.485 1.676 -2.433 1.00 0.00 C ATOM 1303 O CYS A 80 -5.288 1.096 -1.702 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.587 1.983 -0.783 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.101 2.958 -0.425 1.00 0.00 S ATOM 0 H CYS A 80 -4.870 3.464 -0.544 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.816 2.995 -2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.160 1.846 0.134 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.295 0.991 -1.127 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.429 1.495 -3.759 1.00 0.00 N ATOM 1311 CA ARG A 81 -5.137 0.420 -4.429 1.00 0.00 C ATOM 1312 C ARG A 81 -4.349 -0.856 -4.170 1.00 0.00 C ATOM 1313 O ARG A 81 -3.125 -0.826 -4.245 1.00 0.00 O ATOM 1314 CB ARG A 81 -5.235 0.725 -5.925 1.00 0.00 C ATOM 1315 CG ARG A 81 -5.878 -0.450 -6.668 1.00 0.00 C ATOM 1316 CD ARG A 81 -6.258 -0.109 -8.114 1.00 0.00 C ATOM 1317 NE ARG A 81 -7.457 0.737 -8.178 1.00 0.00 N ATOM 1318 CZ ARG A 81 -7.490 2.073 -8.332 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -6.370 2.800 -8.440 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -8.676 2.693 -8.374 1.00 0.00 N ATOM 0 H ARG A 81 -3.891 2.092 -4.387 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.155 0.310 -4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.825 1.628 -6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.241 0.919 -6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.188 -1.294 -6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.770 -0.769 -6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.426 0.403 -8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.433 -1.030 -8.671 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.357 0.263 -8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.459 2.342 -8.406 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.428 3.812 -8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.537 2.153 -8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.718 3.705 -8.490 1.00 0.00 H new ATOM 1334 N VAL A 82 -5.032 -1.961 -3.852 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.395 -3.249 -3.658 1.00 0.00 C ATOM 1336 C VAL A 82 -5.146 -4.290 -4.484 1.00 0.00 C ATOM 1337 O VAL A 82 -6.348 -4.469 -4.293 1.00 0.00 O ATOM 1338 CB VAL A 82 -4.377 -3.601 -2.163 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -3.692 -4.958 -1.983 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -3.616 -2.534 -1.362 1.00 0.00 C ATOM 0 H VAL A 82 -6.044 -1.978 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.359 -3.223 -3.994 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.402 -3.642 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.673 -5.219 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.243 -5.720 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.671 -4.903 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.616 -2.803 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.589 -2.473 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.103 -1.567 -1.490 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.430 -4.976 -5.386 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.957 -6.095 -6.151 1.00 0.00 C ATOM 1352 C ASN A 83 -3.898 -7.193 -6.250 1.00 0.00 C ATOM 1353 O ASN A 83 -3.070 -7.169 -7.157 1.00 0.00 O ATOM 1354 CB ASN A 83 -5.398 -5.635 -7.546 1.00 0.00 C ATOM 1355 CG ASN A 83 -6.136 -6.757 -8.272 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -7.037 -7.365 -7.701 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -5.766 -7.042 -9.522 1.00 0.00 N ATOM 0 H ASN A 83 -3.457 -4.760 -5.601 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.832 -6.495 -5.640 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.046 -4.763 -7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.527 -5.330 -8.126 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.236 -7.787 -10.036 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.013 -6.515 -9.964 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.937 -8.173 -5.339 1.00 0.00 N ATOM 1365 CA HIS A 84 -3.182 -9.413 -5.483 1.00 0.00 C ATOM 1366 C HIS A 84 -3.902 -10.257 -6.548 1.00 0.00 C ATOM 1367 O HIS A 84 -5.086 -10.039 -6.807 1.00 0.00 O ATOM 1368 CB HIS A 84 -3.156 -10.135 -4.135 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.410 -11.443 -4.175 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -3.096 -12.651 -4.147 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -1.070 -11.704 -4.285 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -2.154 -13.589 -4.207 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.918 -13.073 -4.297 1.00 0.00 N ATOM 0 H HIS A 84 -4.493 -8.124 -4.485 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.152 -9.231 -5.789 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.696 -9.485 -3.391 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.180 -10.318 -3.809 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.279 -10.972 -4.350 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.361 -14.649 -4.186 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.042 -13.591 -4.361 1.00 0.00 H new ATOM 1381 N VAL A 85 -3.223 -11.233 -7.157 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.852 -12.115 -8.137 1.00 0.00 C ATOM 1383 C VAL A 85 -5.102 -12.812 -7.577 1.00 0.00 C ATOM 1384 O VAL A 85 -6.086 -12.966 -8.299 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.831 -13.095 -8.741 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -2.197 -14.040 -7.714 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -3.457 -13.912 -9.879 1.00 0.00 C ATOM 0 H VAL A 85 -2.237 -11.430 -6.987 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.211 -11.494 -8.958 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.028 -12.470 -9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.489 -14.700 -8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.675 -13.456 -6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.976 -14.637 -7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.713 -14.596 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.303 -14.482 -9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.800 -13.238 -10.664 1.00 0.00 H new ATOM 1397 N THR A 86 -5.087 -13.205 -6.294 1.00 0.00 N ATOM 1398 CA THR A 86 -6.220 -13.881 -5.669 1.00 0.00 C ATOM 1399 C THR A 86 -7.394 -12.931 -5.405 1.00 0.00 C ATOM 1400 O THR A 86 -8.532 -13.391 -5.337 1.00 0.00 O ATOM 1401 CB THR A 86 -5.777 -14.687 -4.440 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.624 -15.805 -4.271 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.794 -13.889 -3.139 1.00 0.00 C ATOM 0 H THR A 86 -4.293 -13.062 -5.670 1.00 0.00 H new ATOM 0 HA THR A 86 -6.610 -14.609 -6.380 1.00 0.00 H new ATOM 0 HB THR A 86 -4.746 -14.981 -4.636 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.541 -15.560 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.469 -14.526 -2.317 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.120 -13.037 -3.226 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.806 -13.533 -2.944 1.00 0.00 H new ATOM 1411 N LEU A 87 -7.147 -11.614 -5.306 1.00 0.00 N ATOM 1412 CA LEU A 87 -8.222 -10.633 -5.363 1.00 0.00 C ATOM 1413 C LEU A 87 -8.791 -10.616 -6.778 1.00 0.00 C ATOM 1414 O LEU A 87 -9.990 -10.827 -6.953 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.724 -9.229 -4.981 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.948 -8.878 -3.508 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -7.267 -9.873 -2.564 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.413 -7.467 -3.234 1.00 0.00 C ATOM 0 H LEU A 87 -6.216 -11.215 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.994 -10.914 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.660 -9.157 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.231 -8.491 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.020 -8.925 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.455 -9.581 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.668 -10.872 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.193 -9.875 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.572 -7.215 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.347 -7.432 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.940 -6.750 -3.863 1.00 0.00 H new ATOM 1430 N SER A 88 -7.942 -10.304 -7.766 1.00 0.00 N ATOM 1431 CA SER A 88 -8.298 -10.082 -9.166 1.00 0.00 C ATOM 1432 C SER A 88 -9.037 -8.754 -9.379 1.00 0.00 C ATOM 1433 O SER A 88 -8.786 -8.079 -10.376 1.00 0.00 O ATOM 1434 CB SER A 88 -9.078 -11.264 -9.758 1.00 0.00 C ATOM 1435 OG SER A 88 -9.086 -11.170 -11.167 1.00 0.00 O ATOM 0 H SER A 88 -6.942 -10.195 -7.599 1.00 0.00 H new ATOM 0 HA SER A 88 -7.358 -10.011 -9.712 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.622 -12.205 -9.449 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.100 -11.265 -9.378 1.00 0.00 H new ATOM 0 HG SER A 88 -9.583 -11.926 -11.543 1.00 0.00 H new ATOM 1441 N GLN A 89 -9.930 -8.379 -8.452 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.629 -7.103 -8.435 1.00 0.00 C ATOM 1443 C GLN A 89 -10.014 -6.232 -7.333 1.00 0.00 C ATOM 1444 O GLN A 89 -9.873 -6.697 -6.203 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.140 -7.294 -8.234 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.507 -8.319 -7.151 1.00 0.00 C ATOM 1447 CD GLN A 89 -13.933 -8.135 -6.637 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -14.148 -8.072 -5.428 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -14.906 -8.041 -7.546 1.00 0.00 N ATOM 0 H GLN A 89 -10.188 -8.982 -7.671 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.512 -6.605 -9.398 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.585 -6.333 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.584 -7.606 -9.179 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.396 -9.326 -7.554 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.809 -8.230 -6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.683 -8.099 -8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.873 -7.912 -7.247 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.631 -4.981 -7.633 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.914 -4.132 -6.698 1.00 0.00 C ATOM 1460 C PRO A 90 -9.791 -3.746 -5.508 1.00 0.00 C ATOM 1461 O PRO A 90 -11.009 -3.623 -5.636 1.00 0.00 O ATOM 1462 CB PRO A 90 -8.506 -2.895 -7.501 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.566 -2.816 -8.596 1.00 0.00 C ATOM 1464 CD PRO A 90 -9.844 -4.288 -8.893 1.00 0.00 C ATOM 0 HA PRO A 90 -8.050 -4.646 -6.278 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.501 -1.998 -6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.505 -3.000 -7.918 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.461 -2.294 -8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.202 -2.286 -9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.863 -4.431 -9.253 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.176 -4.666 -9.667 1.00 0.00 H new ATOM 1472 N LYS A 91 -9.149 -3.554 -4.351 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.775 -3.125 -3.112 1.00 0.00 C ATOM 1474 C LYS A 91 -8.946 -1.970 -2.555 1.00 0.00 C ATOM 1475 O LYS A 91 -7.767 -2.147 -2.250 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.854 -4.302 -2.131 1.00 0.00 C ATOM 1477 CG LYS A 91 -10.820 -5.371 -2.658 1.00 0.00 C ATOM 1478 CD LYS A 91 -10.999 -6.511 -1.649 1.00 0.00 C ATOM 1479 CE LYS A 91 -12.140 -7.450 -2.067 1.00 0.00 C ATOM 1480 NZ LYS A 91 -11.900 -8.077 -3.379 1.00 0.00 N ATOM 0 H LYS A 91 -8.144 -3.700 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.797 -2.786 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.863 -4.735 -1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.188 -3.949 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.787 -4.916 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.443 -5.772 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.071 -7.077 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.208 -6.097 -0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.262 -8.227 -1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.074 -6.889 -2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.664 -7.815 -4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.990 -7.748 -3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.877 -9.111 -3.271 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.555 -0.780 -2.472 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.870 0.442 -2.090 1.00 0.00 C ATOM 1496 C ILE A 92 -8.965 0.580 -0.571 1.00 0.00 C ATOM 1497 O ILE A 92 -10.063 0.751 -0.042 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.488 1.667 -2.794 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.964 1.412 -4.236 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.473 2.815 -2.756 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.884 0.835 -5.151 1.00 0.00 C ATOM 0 H ILE A 92 -10.546 -0.647 -2.672 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.825 0.394 -2.397 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.395 1.921 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.811 0.727 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.324 2.349 -4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.895 3.690 -3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.240 3.061 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.561 2.512 -3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.296 0.683 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.045 1.529 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.540 -0.119 -4.751 1.00 0.00 H new ATOM 1513 N VAL A 93 -7.832 0.497 0.136 1.00 0.00 N ATOM 1514 CA VAL A 93 -7.819 0.564 1.596 1.00 0.00 C ATOM 1515 C VAL A 93 -8.047 1.975 2.131 1.00 0.00 C ATOM 1516 O VAL A 93 -8.557 2.141 3.237 1.00 0.00 O ATOM 1517 CB VAL A 93 -6.550 -0.109 2.147 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -6.351 0.119 3.652 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -6.659 -1.617 1.894 1.00 0.00 C ATOM 0 H VAL A 93 -6.910 0.383 -0.285 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.673 -0.002 1.968 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.695 0.335 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.439 -0.381 3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.270 1.188 3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.203 -0.288 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.769 -2.116 2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.541 -2.008 2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.745 -1.801 0.823 1.00 0.00 H new ATOM 1529 N LYS A 94 -7.695 2.967 1.317 1.00 0.00 N ATOM 1530 CA LYS A 94 -7.773 4.397 1.592 1.00 0.00 C ATOM 1531 C LYS A 94 -7.294 4.760 3.000 1.00 0.00 C ATOM 1532 O LYS A 94 -8.089 4.879 3.930 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.140 4.990 1.223 1.00 0.00 C ATOM 1534 CG LYS A 94 -10.355 4.288 1.845 1.00 0.00 C ATOM 1535 CD LYS A 94 -11.622 5.099 1.557 1.00 0.00 C ATOM 1536 CE LYS A 94 -12.846 4.406 2.164 1.00 0.00 C ATOM 1537 NZ LYS A 94 -14.072 5.196 1.959 1.00 0.00 N ATOM 0 H LYS A 94 -7.323 2.779 0.386 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.061 4.882 0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.155 6.038 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.245 4.968 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.455 3.282 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.215 4.183 2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.521 6.103 1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.755 5.209 0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.968 3.421 1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.686 4.252 3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.881 4.698 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.964 6.127 2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.238 5.322 0.940 1.00 0.00 H new ATOM 1551 N TRP A 95 -5.973 4.947 3.113 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.230 5.318 4.311 1.00 0.00 C ATOM 1553 C TRP A 95 -6.033 6.214 5.259 1.00 0.00 C ATOM 1554 O TRP A 95 -6.285 7.377 4.947 1.00 0.00 O ATOM 1555 CB TRP A 95 -3.947 6.031 3.874 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.250 6.827 4.935 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -2.765 6.365 6.107 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.051 8.267 4.965 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.307 7.420 6.872 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.549 8.630 6.248 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.227 9.300 4.022 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.356 9.971 6.619 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.979 10.638 4.364 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.642 10.976 5.685 1.00 0.00 C ATOM 0 H TRP A 95 -5.357 4.833 2.308 1.00 0.00 H new ATOM 0 HA TRP A 95 -5.006 4.409 4.869 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.251 5.285 3.490 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.188 6.697 3.046 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.739 5.326 6.402 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.850 7.320 7.778 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.557 9.058 3.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.994 10.223 7.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.047 11.409 3.611 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.603 12.014 5.982 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.401 5.668 6.424 1.00 0.00 N ATOM 1576 CA ASP A 96 -7.061 6.415 7.484 1.00 0.00 C ATOM 1577 C ASP A 96 -6.054 7.344 8.166 1.00 0.00 C ATOM 1578 O ASP A 96 -4.863 7.043 8.215 1.00 0.00 O ATOM 1579 CB ASP A 96 -7.695 5.442 8.484 1.00 0.00 C ATOM 1580 CG ASP A 96 -8.470 6.171 9.580 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -9.184 7.136 9.229 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -8.329 5.754 10.749 1.00 0.00 O ATOM 0 H ASP A 96 -6.245 4.686 6.653 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.856 7.031 7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.366 4.765 7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.916 4.829 8.937 1.00 0.00 H new ATOM 1587 N ARG A 97 -6.538 8.484 8.667 1.00 0.00 N ATOM 1588 CA ARG A 97 -5.736 9.577 9.187 1.00 0.00 C ATOM 1589 C ARG A 97 -6.239 9.913 10.589 1.00 0.00 C ATOM 1590 O ARG A 97 -7.285 10.540 10.746 1.00 0.00 O ATOM 1591 CB ARG A 97 -5.754 10.787 8.232 1.00 0.00 C ATOM 1592 CG ARG A 97 -7.106 11.117 7.578 1.00 0.00 C ATOM 1593 CD ARG A 97 -7.289 10.364 6.253 1.00 0.00 C ATOM 1594 NE ARG A 97 -8.585 10.663 5.635 1.00 0.00 N ATOM 1595 CZ ARG A 97 -9.076 10.028 4.557 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -8.404 9.026 3.974 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -10.254 10.399 4.043 1.00 0.00 N ATOM 0 H ARG A 97 -7.539 8.671 8.720 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.689 9.281 9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.418 11.664 8.785 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.025 10.610 7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.915 10.856 8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.173 12.190 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.487 10.635 5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.209 9.291 6.430 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.152 11.402 6.051 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.502 8.732 4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.795 8.557 3.157 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.778 11.163 4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.628 9.918 3.225 1.00 0.00 H new ATOM 1611 N ASP A 98 -5.475 9.468 11.596 1.00 0.00 N ATOM 1612 CA ASP A 98 -5.698 9.696 13.020 1.00 0.00 C ATOM 1613 C ASP A 98 -6.114 11.140 13.316 1.00 0.00 C ATOM 1614 O ASP A 98 -7.070 11.366 14.056 1.00 0.00 O ATOM 1615 CB ASP A 98 -4.417 9.329 13.779 1.00 0.00 C ATOM 1616 CG ASP A 98 -4.549 9.586 15.278 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -5.192 8.748 15.945 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -4.003 10.617 15.729 1.00 0.00 O ATOM 0 H ASP A 98 -4.640 8.909 11.423 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.523 9.066 13.351 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.184 8.278 13.610 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.582 9.908 13.384 1.00 0.00 H new ATOM 1623 N MET A 99 -5.405 12.102 12.715 1.00 0.00 N ATOM 1624 CA MET A 99 -5.740 13.516 12.750 1.00 0.00 C ATOM 1625 C MET A 99 -5.576 14.097 11.343 1.00 0.00 C ATOM 1626 O MET A 99 -4.840 13.474 10.546 1.00 0.00 O ATOM 1627 CB MET A 99 -4.840 14.221 13.777 1.00 0.00 C ATOM 1628 CG MET A 99 -5.365 15.600 14.193 1.00 0.00 C ATOM 1629 SD MET A 99 -6.992 15.641 15.004 1.00 0.00 S ATOM 1630 CE MET A 99 -6.688 14.545 16.415 1.00 0.00 C ATOM 1631 OXT MET A 99 -6.199 15.149 11.082 1.00 0.00 O ATOM 0 H MET A 99 -4.560 11.905 12.178 1.00 0.00 H new ATOM 0 HA MET A 99 -6.775 13.667 13.058 1.00 0.00 H new ATOM 0 HB2 MET A 99 -4.748 13.592 14.662 1.00 0.00 H new ATOM 0 HB3 MET A 99 -3.839 14.331 13.359 1.00 0.00 H new ATOM 0 HG2 MET A 99 -4.637 16.053 14.866 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.411 16.229 13.304 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.502 14.642 17.133 1.00 0.00 H new ATOM 0 HE2 MET A 99 -6.631 13.513 16.069 1.00 0.00 H new ATOM 0 HE3 MET A 99 -5.748 14.820 16.893 1.00 0.00 H new TER 1641 MET A 99