USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 872 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 51 THR OG1 : rot 137:sc= 0.788 USER MOD Set 1.2: A 82 GLN :FLIP amide:sc= 0.827 F(o=-6.1!,f=1.6) USER MOD Set 2.1: A 36 SER OG : rot -100:sc= 0.564 USER MOD Set 2.2: A 54 LYS NZ :NH3+ 148:sc= -0.812 (180deg=-4.27!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.27! (180deg=-0.582!) USER MOD Single : A 4 GLN : amide:sc= -3.65! C(o=-3.7!,f=-4.9!) USER MOD Single : A 6 THR OG1 : rot -120:sc= -1.23 USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= -0.0178 (180deg=-0.29) USER MOD Single : A 14 ASN : amide:sc= -3.17! C(o=-3.2!,f=-4.3!) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.55 K(o=-1.5,f=-5.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= -1.47 (180deg=-1.85) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -5.85! C(o=-5.9!,f=-8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.014 USER MOD Single : A 37 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.2) USER MOD Single : A 45 THR OG1 : rot -130:sc= -0.0252 USER MOD Single : A 49 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.527) USER MOD Single : A 55 ASN : amide:sc= -0.0571 K(o=-0.057,f=-2.1!) USER MOD Single : A 63 GLN : amide:sc= -1.9 K(o=-1.9,f=-2.8!) USER MOD Single : A 66 SER OG : rot -170:sc= -0.451 USER MOD Single : A 67 TYR OH : rot 119:sc= 0.696 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.25! C(o=-2.2!,f=-3.7!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.675 F(o=-3.7!,f=-0.68) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= -0.0461 (180deg=-0.401) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0223 F(o=-1.2,f=-0.022) USER MOD Single : A 89 SER OG : rot 40:sc= -1.08 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -125:sc= -1.36 (180deg=-3.65!) USER MOD Single : A 95 SER OG : rot -15:sc= 0.785 USER MOD Single : A 104 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-4.1!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= 0.119 K(o=0.12,f=-1.1) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 108 HIS : no HD1:sc= -2.76! C(o=-2.8!,f=-5.6!) USER MOD Single : A 109 HIS : no HD1:sc= -0.261 K(o=-0.26,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.119 4.224 -12.969 1.00 0.00 N ATOM 2 CA MET A 1 -12.938 5.381 -13.423 1.00 0.00 C ATOM 3 C MET A 1 -13.197 6.299 -12.230 1.00 0.00 C ATOM 4 O MET A 1 -13.228 7.509 -12.352 1.00 0.00 O ATOM 5 CB MET A 1 -14.272 4.874 -13.977 1.00 0.00 C ATOM 6 CG MET A 1 -14.019 3.922 -15.150 1.00 0.00 C ATOM 7 SD MET A 1 -13.580 2.286 -14.510 1.00 0.00 S ATOM 8 CE MET A 1 -14.375 1.306 -15.808 1.00 0.00 C ATOM 0 H1 MET A 1 -12.064 3.518 -13.730 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.161 4.550 -12.729 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.559 3.795 -12.130 1.00 0.00 H new ATOM 0 HA MET A 1 -12.409 5.928 -14.204 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.830 4.360 -13.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.883 5.715 -14.305 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.909 3.853 -15.776 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.216 4.307 -15.779 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.225 0.245 -15.607 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.443 1.524 -15.826 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.937 1.558 -16.774 1.00 0.00 H new ATOM 20 N GLU A 2 -13.379 5.729 -11.073 1.00 0.00 N ATOM 21 CA GLU A 2 -13.630 6.559 -9.864 1.00 0.00 C ATOM 22 C GLU A 2 -13.381 5.714 -8.609 1.00 0.00 C ATOM 23 O GLU A 2 -14.237 5.595 -7.757 1.00 0.00 O ATOM 24 CB GLU A 2 -15.081 7.054 -9.869 1.00 0.00 C ATOM 25 CG GLU A 2 -15.233 8.191 -8.854 1.00 0.00 C ATOM 26 CD GLU A 2 -16.711 8.553 -8.699 1.00 0.00 C ATOM 27 OE1 GLU A 2 -17.457 7.719 -8.216 1.00 0.00 O ATOM 28 OE2 GLU A 2 -17.069 9.661 -9.062 1.00 0.00 O ATOM 0 H GLU A 2 -13.365 4.722 -10.912 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.958 7.417 -9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.355 7.402 -10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.757 6.236 -9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.820 7.889 -7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.668 9.063 -9.184 1.00 0.00 H new ATOM 35 N PRO A 3 -12.216 5.124 -8.503 1.00 0.00 N ATOM 36 CA PRO A 3 -11.847 4.270 -7.332 1.00 0.00 C ATOM 37 C PRO A 3 -11.799 5.069 -6.021 1.00 0.00 C ATOM 38 O PRO A 3 -11.408 6.221 -5.987 1.00 0.00 O ATOM 39 CB PRO A 3 -10.459 3.706 -7.700 1.00 0.00 C ATOM 40 CG PRO A 3 -9.913 4.647 -8.730 1.00 0.00 C ATOM 41 CD PRO A 3 -11.122 5.208 -9.484 1.00 0.00 C ATOM 0 HA PRO A 3 -12.584 3.488 -7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.809 3.658 -6.826 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.538 2.693 -8.094 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.342 5.448 -8.261 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.237 4.129 -9.410 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.951 6.235 -9.806 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.341 4.625 -10.379 1.00 0.00 H new ATOM 49 N GLN A 4 -12.202 4.460 -4.944 1.00 0.00 N ATOM 50 CA GLN A 4 -12.191 5.170 -3.638 1.00 0.00 C ATOM 51 C GLN A 4 -10.747 5.324 -3.146 1.00 0.00 C ATOM 52 O GLN A 4 -10.200 4.459 -2.489 1.00 0.00 O ATOM 53 CB GLN A 4 -13.009 4.360 -2.632 1.00 0.00 C ATOM 54 CG GLN A 4 -14.430 4.155 -3.176 1.00 0.00 C ATOM 55 CD GLN A 4 -14.423 3.068 -4.257 1.00 0.00 C ATOM 56 OE1 GLN A 4 -13.756 2.061 -4.122 1.00 0.00 O ATOM 57 NE2 GLN A 4 -15.154 3.228 -5.329 1.00 0.00 N ATOM 0 H GLN A 4 -12.540 3.498 -4.912 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.628 6.163 -3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.534 3.396 -2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -13.046 4.880 -1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -15.101 3.870 -2.366 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.809 5.090 -3.590 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -15.714 4.073 -5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -15.164 2.508 -6.051 1.00 0.00 H new ATOM 66 N LEU A 5 -10.129 6.429 -3.469 1.00 0.00 N ATOM 67 CA LEU A 5 -8.721 6.659 -3.032 1.00 0.00 C ATOM 68 C LEU A 5 -8.696 6.993 -1.542 1.00 0.00 C ATOM 69 O LEU A 5 -9.608 7.601 -1.014 1.00 0.00 O ATOM 70 CB LEU A 5 -8.126 7.828 -3.820 1.00 0.00 C ATOM 71 CG LEU A 5 -8.179 7.520 -5.321 1.00 0.00 C ATOM 72 CD1 LEU A 5 -7.615 8.712 -6.103 1.00 0.00 C ATOM 73 CD2 LEU A 5 -7.355 6.255 -5.628 1.00 0.00 C ATOM 0 H LEU A 5 -10.540 7.184 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.135 5.758 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.680 8.742 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.095 8.000 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.213 7.346 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.651 8.496 -7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.210 9.600 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.582 8.888 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.398 6.043 -6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.318 6.415 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.765 5.410 -5.074 1.00 0.00 H new ATOM 85 N THR A 6 -7.650 6.595 -0.859 1.00 0.00 N ATOM 86 CA THR A 6 -7.540 6.875 0.605 1.00 0.00 C ATOM 87 C THR A 6 -6.240 7.627 0.891 1.00 0.00 C ATOM 88 O THR A 6 -5.169 7.244 0.455 1.00 0.00 O ATOM 89 CB THR A 6 -7.545 5.558 1.372 1.00 0.00 C ATOM 90 OG1 THR A 6 -8.775 4.886 1.136 1.00 0.00 O ATOM 91 CG2 THR A 6 -7.394 5.840 2.866 1.00 0.00 C ATOM 0 H THR A 6 -6.862 6.084 -1.257 1.00 0.00 H new ATOM 0 HA THR A 6 -8.385 7.486 0.921 1.00 0.00 H new ATOM 0 HB THR A 6 -6.717 4.933 1.037 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.243 4.752 1.987 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.397 4.899 3.416 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.454 6.361 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.223 6.461 3.205 1.00 0.00 H new ATOM 99 N LYS A 7 -6.335 8.704 1.622 1.00 0.00 N ATOM 100 CA LYS A 7 -5.128 9.517 1.955 1.00 0.00 C ATOM 101 C LYS A 7 -4.630 9.166 3.359 1.00 0.00 C ATOM 102 O LYS A 7 -5.359 8.643 4.180 1.00 0.00 O ATOM 103 CB LYS A 7 -5.496 11.000 1.898 1.00 0.00 C ATOM 104 CG LYS A 7 -5.781 11.392 0.445 1.00 0.00 C ATOM 105 CD LYS A 7 -6.170 12.870 0.377 1.00 0.00 C ATOM 106 CE LYS A 7 -6.534 13.238 -1.062 1.00 0.00 C ATOM 107 NZ LYS A 7 -5.322 13.135 -1.925 1.00 0.00 N ATOM 0 H LYS A 7 -7.209 9.061 2.008 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.337 9.303 1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.371 11.194 2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.682 11.605 2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.900 11.209 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.585 10.775 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.015 13.065 1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.344 13.490 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.314 12.573 -1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.935 14.251 -1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.497 13.619 -2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.515 13.581 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.108 12.133 -2.105 1.00 0.00 H new ATOM 121 N ILE A 8 -3.389 9.455 3.638 1.00 0.00 N ATOM 122 CA ILE A 8 -2.828 9.144 4.985 1.00 0.00 C ATOM 123 C ILE A 8 -3.566 9.967 6.052 1.00 0.00 C ATOM 124 O ILE A 8 -3.899 9.477 7.115 1.00 0.00 O ATOM 125 CB ILE A 8 -1.340 9.497 5.008 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.580 8.551 4.073 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.800 9.345 6.432 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.857 9.050 3.891 1.00 0.00 C ATOM 0 H ILE A 8 -2.736 9.895 2.989 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.955 8.082 5.196 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.205 10.527 4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.575 7.542 4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.082 8.498 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.260 9.597 6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.342 10.015 7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.933 8.315 6.764 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.395 8.375 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.843 10.051 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.357 9.080 4.859 1.00 0.00 H new ATOM 140 N VAL A 9 -3.813 11.216 5.777 1.00 0.00 N ATOM 141 CA VAL A 9 -4.523 12.079 6.766 1.00 0.00 C ATOM 142 C VAL A 9 -5.938 11.534 6.996 1.00 0.00 C ATOM 143 O VAL A 9 -6.550 11.768 8.021 1.00 0.00 O ATOM 144 CB VAL A 9 -4.587 13.514 6.232 1.00 0.00 C ATOM 145 CG1 VAL A 9 -5.414 13.558 4.945 1.00 0.00 C ATOM 146 CG2 VAL A 9 -5.232 14.427 7.277 1.00 0.00 C ATOM 0 H VAL A 9 -3.553 11.680 4.907 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.985 12.076 7.714 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.574 13.857 6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.454 14.582 4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.953 12.917 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.425 13.207 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.275 15.446 6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.242 14.077 7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.639 14.409 8.191 1.00 0.00 H new ATOM 156 N ASP A 10 -6.458 10.803 6.051 1.00 0.00 N ATOM 157 CA ASP A 10 -7.827 10.233 6.213 1.00 0.00 C ATOM 158 C ASP A 10 -7.758 8.993 7.115 1.00 0.00 C ATOM 159 O ASP A 10 -8.762 8.395 7.454 1.00 0.00 O ATOM 160 CB ASP A 10 -8.363 9.829 4.837 1.00 0.00 C ATOM 161 CG ASP A 10 -8.587 11.082 3.988 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.624 12.160 4.558 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.712 10.943 2.782 1.00 0.00 O ATOM 0 H ASP A 10 -5.995 10.574 5.172 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.486 10.975 6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.657 9.163 4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.298 9.279 4.946 1.00 0.00 H new ATOM 168 N ILE A 11 -6.577 8.601 7.505 1.00 0.00 N ATOM 169 CA ILE A 11 -6.444 7.399 8.379 1.00 0.00 C ATOM 170 C ILE A 11 -7.008 7.707 9.765 1.00 0.00 C ATOM 171 O ILE A 11 -6.355 8.308 10.598 1.00 0.00 O ATOM 172 CB ILE A 11 -4.962 7.017 8.497 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.387 6.710 7.099 1.00 0.00 C ATOM 174 CG2 ILE A 11 -4.804 5.791 9.405 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.687 5.261 6.681 1.00 0.00 C ATOM 0 H ILE A 11 -5.700 9.059 7.258 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.999 6.569 7.943 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.416 7.853 8.933 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.813 7.398 6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.310 6.875 7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.749 5.529 9.482 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.194 6.020 10.397 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.357 4.952 8.983 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.270 5.074 5.692 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.239 4.575 7.400 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.766 5.106 6.655 1.00 0.00 H new ATOM 187 N VAL A 12 -8.225 7.294 10.014 1.00 0.00 N ATOM 188 CA VAL A 12 -8.869 7.538 11.331 1.00 0.00 C ATOM 189 C VAL A 12 -9.141 6.196 12.018 1.00 0.00 C ATOM 190 O VAL A 12 -8.981 6.059 13.216 1.00 0.00 O ATOM 191 CB VAL A 12 -10.196 8.273 11.102 1.00 0.00 C ATOM 192 CG1 VAL A 12 -11.012 7.563 10.010 1.00 0.00 C ATOM 193 CG2 VAL A 12 -11.000 8.283 12.402 1.00 0.00 C ATOM 0 H VAL A 12 -8.806 6.789 9.345 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.215 8.140 11.961 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.986 9.295 10.786 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.952 8.093 9.856 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.444 7.553 9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.220 6.539 10.319 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.944 8.805 12.242 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.200 7.258 12.714 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.430 8.793 13.178 1.00 0.00 H new ATOM 203 N GLU A 13 -9.570 5.208 11.271 1.00 0.00 N ATOM 204 CA GLU A 13 -9.879 3.873 11.878 1.00 0.00 C ATOM 205 C GLU A 13 -9.117 2.770 11.146 1.00 0.00 C ATOM 206 O GLU A 13 -8.932 2.810 9.944 1.00 0.00 O ATOM 207 CB GLU A 13 -11.383 3.608 11.772 1.00 0.00 C ATOM 208 CG GLU A 13 -11.714 2.272 12.439 1.00 0.00 C ATOM 209 CD GLU A 13 -13.225 2.044 12.413 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.945 3.001 12.179 1.00 0.00 O ATOM 211 OE2 GLU A 13 -13.637 0.917 12.630 1.00 0.00 O ATOM 0 H GLU A 13 -9.720 5.268 10.264 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.574 3.878 12.925 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.940 4.413 12.251 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.687 3.589 10.725 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.205 1.460 11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.354 2.269 13.468 1.00 0.00 H new ATOM 218 N ASN A 14 -8.667 1.782 11.875 1.00 0.00 N ATOM 219 CA ASN A 14 -7.905 0.663 11.249 1.00 0.00 C ATOM 220 C ASN A 14 -8.862 -0.421 10.748 1.00 0.00 C ATOM 221 O ASN A 14 -10.020 -0.474 11.120 1.00 0.00 O ATOM 222 CB ASN A 14 -6.935 0.068 12.274 1.00 0.00 C ATOM 223 CG ASN A 14 -7.703 -0.527 13.461 1.00 0.00 C ATOM 224 OD1 ASN A 14 -8.889 -0.785 13.371 1.00 0.00 O ATOM 225 ND2 ASN A 14 -7.065 -0.755 14.578 1.00 0.00 N ATOM 0 H ASN A 14 -8.796 1.703 12.884 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.344 1.050 10.399 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.328 -0.705 11.802 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.251 0.840 12.626 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.561 -1.150 15.377 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.071 -0.538 14.651 1.00 0.00 H new ATOM 232 N GLY A 15 -8.380 -1.283 9.891 1.00 0.00 N ATOM 233 CA GLY A 15 -9.245 -2.367 9.341 1.00 0.00 C ATOM 234 C GLY A 15 -10.150 -1.787 8.251 1.00 0.00 C ATOM 235 O GLY A 15 -11.107 -2.405 7.821 1.00 0.00 O ATOM 0 H GLY A 15 -7.420 -1.282 9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.629 -3.167 8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.848 -2.805 10.136 1.00 0.00 H new ATOM 239 N GLN A 16 -9.860 -0.595 7.806 1.00 0.00 N ATOM 240 CA GLN A 16 -10.703 0.036 6.748 1.00 0.00 C ATOM 241 C GLN A 16 -10.262 -0.451 5.364 1.00 0.00 C ATOM 242 O GLN A 16 -9.094 -0.430 5.023 1.00 0.00 O ATOM 243 CB GLN A 16 -10.560 1.556 6.833 1.00 0.00 C ATOM 244 CG GLN A 16 -11.470 2.222 5.798 1.00 0.00 C ATOM 245 CD GLN A 16 -11.371 3.743 5.929 1.00 0.00 C ATOM 246 OE1 GLN A 16 -10.580 4.260 6.828 1.00 0.00 O flip ATOM 247 NE2 GLN A 16 -12.023 4.470 5.206 1.00 0.00 N flip ATOM 0 H GLN A 16 -9.075 -0.029 8.129 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.745 -0.243 6.901 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.821 1.899 7.834 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.523 1.843 6.657 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.181 1.914 4.793 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.501 1.901 5.945 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.642 4.067 4.502 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.951 5.483 5.303 1.00 0.00 H new ATOM 256 N TRP A 17 -11.195 -0.896 4.563 1.00 0.00 N ATOM 257 CA TRP A 17 -10.849 -1.395 3.198 1.00 0.00 C ATOM 258 C TRP A 17 -10.981 -0.262 2.180 1.00 0.00 C ATOM 259 O TRP A 17 -11.991 0.411 2.108 1.00 0.00 O ATOM 260 CB TRP A 17 -11.804 -2.527 2.826 1.00 0.00 C ATOM 261 CG TRP A 17 -11.505 -3.719 3.676 1.00 0.00 C ATOM 262 CD1 TRP A 17 -11.998 -3.932 4.919 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.655 -4.861 3.371 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.501 -5.132 5.396 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.670 -5.741 4.478 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.881 -5.213 2.252 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -9.941 -6.931 4.474 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.146 -6.410 2.244 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.176 -7.267 3.354 1.00 0.00 C ATOM 0 H TRP A 17 -12.187 -0.936 4.797 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.821 -1.759 3.193 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.837 -2.211 2.972 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.694 -2.780 1.772 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.669 -3.273 5.451 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -11.722 -5.519 6.314 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.851 -4.559 1.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -9.968 -7.588 5.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.555 -6.672 1.379 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.608 -8.186 3.343 1.00 0.00 H new ATOM 280 N ALA A 18 -9.965 -0.058 1.386 1.00 0.00 N ATOM 281 CA ALA A 18 -10.022 1.023 0.360 1.00 0.00 C ATOM 282 C ALA A 18 -8.772 0.953 -0.518 1.00 0.00 C ATOM 283 O ALA A 18 -7.975 0.034 -0.418 1.00 0.00 O ATOM 284 CB ALA A 18 -10.085 2.396 1.036 1.00 0.00 C ATOM 0 H ALA A 18 -9.097 -0.594 1.403 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.915 0.885 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.126 3.175 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.976 2.453 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.198 2.539 1.653 1.00 0.00 H new ATOM 290 N ASN A 19 -8.599 1.918 -1.387 1.00 0.00 N ATOM 291 CA ASN A 19 -7.410 1.926 -2.297 1.00 0.00 C ATOM 292 C ASN A 19 -6.408 2.978 -1.830 1.00 0.00 C ATOM 293 O ASN A 19 -6.779 4.028 -1.341 1.00 0.00 O ATOM 294 CB ASN A 19 -7.869 2.271 -3.712 1.00 0.00 C ATOM 295 CG ASN A 19 -8.815 1.181 -4.211 1.00 0.00 C ATOM 296 OD1 ASN A 19 -8.948 0.144 -3.592 1.00 0.00 O ATOM 297 ND2 ASN A 19 -9.486 1.371 -5.312 1.00 0.00 N ATOM 0 H ASN A 19 -9.235 2.707 -1.506 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.937 0.944 -2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.373 3.238 -3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.009 2.355 -4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.122 0.650 -5.653 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.376 2.241 -5.833 1.00 0.00 H new ATOM 304 N LEU A 20 -5.134 2.705 -1.987 1.00 0.00 N ATOM 305 CA LEU A 20 -4.085 3.686 -1.560 1.00 0.00 C ATOM 306 C LEU A 20 -3.113 3.943 -2.712 1.00 0.00 C ATOM 307 O LEU A 20 -2.614 3.031 -3.342 1.00 0.00 O ATOM 308 CB LEU A 20 -3.314 3.123 -0.362 1.00 0.00 C ATOM 309 CG LEU A 20 -2.162 4.071 0.022 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.702 5.487 0.284 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.476 3.542 1.286 1.00 0.00 C ATOM 0 H LEU A 20 -4.774 1.842 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.566 4.623 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.987 2.995 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.918 2.137 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.446 4.115 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.877 6.147 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.188 5.864 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.424 5.456 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.659 4.209 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.199 3.496 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.081 2.544 1.095 1.00 0.00 H new ATOM 323 N LYS A 21 -2.835 5.194 -2.978 1.00 0.00 N ATOM 324 CA LYS A 21 -1.887 5.560 -4.073 1.00 0.00 C ATOM 325 C LYS A 21 -0.672 6.257 -3.458 1.00 0.00 C ATOM 326 O LYS A 21 -0.808 7.173 -2.670 1.00 0.00 O ATOM 327 CB LYS A 21 -2.595 6.511 -5.033 1.00 0.00 C ATOM 328 CG LYS A 21 -1.669 6.853 -6.203 1.00 0.00 C ATOM 329 CD LYS A 21 -2.370 7.827 -7.159 1.00 0.00 C ATOM 330 CE LYS A 21 -3.429 7.091 -7.993 1.00 0.00 C ATOM 331 NZ LYS A 21 -3.854 7.958 -9.126 1.00 0.00 N ATOM 0 H LYS A 21 -3.231 5.988 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.562 4.670 -4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.511 6.052 -5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.885 7.422 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.746 7.298 -5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.392 5.944 -6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.839 8.630 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.636 8.290 -7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.023 6.153 -8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.288 6.839 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.571 7.462 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.257 8.842 -8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.031 8.177 -9.723 1.00 0.00 H new ATOM 345 N ALA A 22 0.519 5.837 -3.799 1.00 0.00 N ATOM 346 CA ALA A 22 1.717 6.500 -3.201 1.00 0.00 C ATOM 347 C ALA A 22 2.988 6.106 -3.955 1.00 0.00 C ATOM 348 O ALA A 22 2.959 5.337 -4.897 1.00 0.00 O ATOM 349 CB ALA A 22 1.862 6.084 -1.737 1.00 0.00 C ATOM 0 H ALA A 22 0.713 5.078 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 22 1.580 7.579 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.737 6.570 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.971 6.383 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.981 5.002 -1.676 1.00 0.00 H new ATOM 355 N LYS A 23 4.110 6.643 -3.534 1.00 0.00 N ATOM 356 CA LYS A 23 5.414 6.334 -4.202 1.00 0.00 C ATOM 357 C LYS A 23 6.329 5.577 -3.237 1.00 0.00 C ATOM 358 O LYS A 23 6.394 5.869 -2.060 1.00 0.00 O ATOM 359 CB LYS A 23 6.082 7.647 -4.615 1.00 0.00 C ATOM 360 CG LYS A 23 7.378 7.354 -5.373 1.00 0.00 C ATOM 361 CD LYS A 23 8.010 8.670 -5.831 1.00 0.00 C ATOM 362 CE LYS A 23 9.315 8.379 -6.575 1.00 0.00 C ATOM 363 NZ LYS A 23 9.019 7.626 -7.826 1.00 0.00 N ATOM 0 H LYS A 23 4.177 7.289 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 23 5.236 5.714 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.406 8.228 -5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.295 8.251 -3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.071 6.809 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.172 6.718 -6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.321 9.209 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.205 9.311 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.826 9.312 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.986 7.800 -5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.881 7.561 -8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.691 6.669 -7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.278 8.121 -8.362 1.00 0.00 H new ATOM 377 N VAL A 24 7.036 4.597 -3.736 1.00 0.00 N ATOM 378 CA VAL A 24 7.945 3.813 -2.852 1.00 0.00 C ATOM 379 C VAL A 24 9.260 4.572 -2.650 1.00 0.00 C ATOM 380 O VAL A 24 10.016 4.798 -3.576 1.00 0.00 O ATOM 381 CB VAL A 24 8.217 2.458 -3.506 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.203 1.656 -2.653 1.00 0.00 C ATOM 383 CG2 VAL A 24 6.896 1.685 -3.623 1.00 0.00 C ATOM 0 H VAL A 24 7.023 4.307 -4.714 1.00 0.00 H new ATOM 0 HA VAL A 24 7.478 3.665 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 24 8.647 2.612 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.392 0.692 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.140 2.207 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.781 1.498 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.081 0.717 -4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.473 1.535 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.195 2.253 -4.234 1.00 0.00 H new ATOM 393 N ILE A 25 9.535 4.971 -1.436 1.00 0.00 N ATOM 394 CA ILE A 25 10.796 5.718 -1.151 1.00 0.00 C ATOM 395 C ILE A 25 11.884 4.739 -0.703 1.00 0.00 C ATOM 396 O ILE A 25 13.002 4.763 -1.184 1.00 0.00 O ATOM 397 CB ILE A 25 10.542 6.719 -0.022 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.252 7.501 -0.301 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.721 7.692 0.081 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.281 8.084 -1.717 1.00 0.00 C ATOM 0 H ILE A 25 8.937 4.811 -0.625 1.00 0.00 H new ATOM 0 HA ILE A 25 11.118 6.239 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 25 10.438 6.178 0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.389 6.845 -0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.140 8.304 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.536 8.403 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.635 7.136 0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.832 8.230 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.360 8.636 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.133 8.756 -1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.371 7.275 -2.442 1.00 0.00 H new ATOM 412 N GLN A 26 11.570 3.879 0.231 1.00 0.00 N ATOM 413 CA GLN A 26 12.588 2.902 0.728 1.00 0.00 C ATOM 414 C GLN A 26 11.920 1.568 1.063 1.00 0.00 C ATOM 415 O GLN A 26 10.799 1.512 1.538 1.00 0.00 O ATOM 416 CB GLN A 26 13.274 3.453 1.981 1.00 0.00 C ATOM 417 CG GLN A 26 14.222 4.587 1.584 1.00 0.00 C ATOM 418 CD GLN A 26 14.872 5.181 2.836 1.00 0.00 C ATOM 419 OE1 GLN A 26 14.199 5.751 3.673 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.163 5.074 2.997 1.00 0.00 N ATOM 0 H GLN A 26 10.653 3.810 0.672 1.00 0.00 H new ATOM 0 HA GLN A 26 13.331 2.746 -0.054 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.528 3.818 2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.828 2.660 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.990 4.212 0.908 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.674 5.360 1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.727 4.596 2.294 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.608 5.469 3.826 1.00 0.00 H new ATOM 429 N LEU A 27 12.623 0.489 0.822 1.00 0.00 N ATOM 430 CA LEU A 27 12.074 -0.868 1.113 1.00 0.00 C ATOM 431 C LEU A 27 13.194 -1.757 1.655 1.00 0.00 C ATOM 432 O LEU A 27 14.287 -1.785 1.122 1.00 0.00 O ATOM 433 CB LEU A 27 11.470 -1.480 -0.161 1.00 0.00 C ATOM 434 CG LEU A 27 12.559 -1.820 -1.191 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.889 -2.360 -2.457 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.377 -0.564 -1.540 1.00 0.00 C ATOM 0 H LEU A 27 13.565 0.493 0.431 1.00 0.00 H new ATOM 0 HA LEU A 27 11.284 -0.790 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.915 -2.382 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.758 -0.781 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 27 13.231 -2.569 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.652 -2.605 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.319 -3.256 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.219 -1.604 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.144 -0.821 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.717 0.195 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.850 -0.176 -0.638 1.00 0.00 H new ATOM 448 N TRP A 28 12.935 -2.472 2.726 1.00 0.00 N ATOM 449 CA TRP A 28 13.986 -3.357 3.326 1.00 0.00 C ATOM 450 C TRP A 28 13.521 -4.812 3.300 1.00 0.00 C ATOM 451 O TRP A 28 12.348 -5.112 3.429 1.00 0.00 O ATOM 452 CB TRP A 28 14.235 -2.930 4.770 1.00 0.00 C ATOM 453 CG TRP A 28 14.403 -1.446 4.813 1.00 0.00 C ATOM 454 CD1 TRP A 28 15.258 -0.739 4.039 1.00 0.00 C ATOM 455 CD2 TRP A 28 13.711 -0.480 5.652 1.00 0.00 C ATOM 456 NE1 TRP A 28 15.139 0.603 4.354 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.197 0.813 5.343 1.00 0.00 C ATOM 458 CE3 TRP A 28 12.720 -0.598 6.642 1.00 0.00 C ATOM 459 CZ2 TRP A 28 13.717 1.949 5.995 1.00 0.00 C ATOM 460 CZ3 TRP A 28 12.234 0.543 7.301 1.00 0.00 C ATOM 461 CH2 TRP A 28 12.732 1.814 6.977 1.00 0.00 C ATOM 0 H TRP A 28 12.038 -2.480 3.212 1.00 0.00 H new ATOM 0 HA TRP A 28 14.906 -3.267 2.748 1.00 0.00 H new ATOM 0 HB2 TRP A 28 13.401 -3.233 5.402 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.126 -3.422 5.160 1.00 0.00 H new ATOM 0 HD1 TRP A 28 15.924 -1.154 3.297 1.00 0.00 H new ATOM 0 HE1 TRP A 28 15.680 1.346 3.911 1.00 0.00 H new ATOM 0 HE3 TRP A 28 12.330 -1.572 6.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 14.104 2.925 5.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 11.473 0.442 8.061 1.00 0.00 H new ATOM 0 HH2 TRP A 28 12.354 2.688 7.487 1.00 0.00 H new ATOM 472 N GLU A 29 14.442 -5.723 3.130 1.00 0.00 N ATOM 473 CA GLU A 29 14.081 -7.169 3.087 1.00 0.00 C ATOM 474 C GLU A 29 14.161 -7.759 4.495 1.00 0.00 C ATOM 475 O GLU A 29 15.112 -7.544 5.223 1.00 0.00 O ATOM 476 CB GLU A 29 15.059 -7.898 2.165 1.00 0.00 C ATOM 477 CG GLU A 29 14.615 -9.350 1.973 1.00 0.00 C ATOM 478 CD GLU A 29 13.321 -9.383 1.156 1.00 0.00 C ATOM 479 OE1 GLU A 29 12.937 -8.344 0.648 1.00 0.00 O ATOM 480 OE2 GLU A 29 12.741 -10.450 1.048 1.00 0.00 O ATOM 0 H GLU A 29 15.436 -5.525 3.018 1.00 0.00 H new ATOM 0 HA GLU A 29 13.065 -7.285 2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.107 -7.393 1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 29 16.062 -7.869 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.395 -9.916 1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.459 -9.825 2.942 1.00 0.00 H new ATOM 487 N ASN A 30 13.160 -8.503 4.886 1.00 0.00 N ATOM 488 CA ASN A 30 13.160 -9.107 6.250 1.00 0.00 C ATOM 489 C ASN A 30 13.839 -10.480 6.219 1.00 0.00 C ATOM 490 O ASN A 30 14.459 -10.867 5.248 1.00 0.00 O ATOM 491 CB ASN A 30 11.710 -9.260 6.730 1.00 0.00 C ATOM 492 CG ASN A 30 11.022 -10.417 5.994 1.00 0.00 C ATOM 493 OD1 ASN A 30 11.174 -10.574 4.798 1.00 0.00 O ATOM 494 ND2 ASN A 30 10.273 -11.243 6.670 1.00 0.00 N ATOM 0 H ASN A 30 12.341 -8.719 4.318 1.00 0.00 H new ATOM 0 HA ASN A 30 13.710 -8.459 6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.693 -9.443 7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.163 -8.333 6.556 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.815 -12.021 6.195 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.146 -11.111 7.673 1.00 0.00 H new ATOM 501 N THR A 31 13.711 -11.217 7.292 1.00 0.00 N ATOM 502 CA THR A 31 14.320 -12.579 7.375 1.00 0.00 C ATOM 503 C THR A 31 13.203 -13.611 7.576 1.00 0.00 C ATOM 504 O THR A 31 13.400 -14.801 7.419 1.00 0.00 O ATOM 505 CB THR A 31 15.271 -12.615 8.569 1.00 0.00 C ATOM 506 OG1 THR A 31 16.299 -11.650 8.386 1.00 0.00 O ATOM 507 CG2 THR A 31 15.892 -14.005 8.697 1.00 0.00 C ATOM 0 H THR A 31 13.202 -10.928 8.127 1.00 0.00 H new ATOM 0 HA THR A 31 14.867 -12.808 6.461 1.00 0.00 H new ATOM 0 HB THR A 31 14.714 -12.387 9.478 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.908 -11.672 9.153 1.00 0.00 H new ATOM 0 HG21 THR A 31 16.569 -14.024 9.551 1.00 0.00 H new ATOM 0 HG22 THR A 31 15.104 -14.744 8.843 1.00 0.00 H new ATOM 0 HG23 THR A 31 16.447 -14.241 7.789 1.00 0.00 H new ATOM 515 N HIS A 32 12.027 -13.163 7.927 1.00 0.00 N ATOM 516 CA HIS A 32 10.899 -14.117 8.141 1.00 0.00 C ATOM 517 C HIS A 32 10.295 -14.528 6.794 1.00 0.00 C ATOM 518 O HIS A 32 10.142 -13.726 5.892 1.00 0.00 O ATOM 519 CB HIS A 32 9.824 -13.455 9.008 1.00 0.00 C ATOM 520 CG HIS A 32 10.403 -13.136 10.358 1.00 0.00 C ATOM 521 ND1 HIS A 32 10.602 -14.108 11.324 1.00 0.00 N ATOM 522 CD2 HIS A 32 10.838 -11.959 10.915 1.00 0.00 C ATOM 523 CE1 HIS A 32 11.134 -13.506 12.404 1.00 0.00 C ATOM 524 NE2 HIS A 32 11.300 -12.194 12.206 1.00 0.00 N ATOM 0 H HIS A 32 11.799 -12.180 8.075 1.00 0.00 H new ATOM 0 HA HIS A 32 11.276 -15.006 8.646 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.464 -12.544 8.529 1.00 0.00 H new ATOM 0 HB3 HIS A 32 8.966 -14.119 9.115 1.00 0.00 H new ATOM 0 HD2 HIS A 32 10.824 -10.997 10.425 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.395 -14.019 13.318 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.683 -11.512 12.861 1.00 0.00 H new ATOM 532 N GLU A 33 9.955 -15.779 6.656 1.00 0.00 N ATOM 533 CA GLU A 33 9.359 -16.271 5.379 1.00 0.00 C ATOM 534 C GLU A 33 7.950 -15.692 5.198 1.00 0.00 C ATOM 535 O GLU A 33 7.506 -15.423 4.097 1.00 0.00 O ATOM 536 CB GLU A 33 9.270 -17.796 5.439 1.00 0.00 C ATOM 537 CG GLU A 33 10.670 -18.404 5.563 1.00 0.00 C ATOM 538 CD GLU A 33 11.449 -18.179 4.264 1.00 0.00 C ATOM 539 OE1 GLU A 33 10.842 -17.745 3.300 1.00 0.00 O ATOM 540 OE2 GLU A 33 12.638 -18.448 4.257 1.00 0.00 O ATOM 0 H GLU A 33 10.065 -16.490 7.379 1.00 0.00 H new ATOM 0 HA GLU A 33 9.982 -15.958 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.658 -18.098 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.780 -18.174 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.201 -17.950 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.596 -19.471 5.774 1.00 0.00 H new ATOM 547 N SER A 34 7.237 -15.516 6.273 1.00 0.00 N ATOM 548 CA SER A 34 5.848 -14.971 6.178 1.00 0.00 C ATOM 549 C SER A 34 5.862 -13.568 5.568 1.00 0.00 C ATOM 550 O SER A 34 5.033 -13.228 4.745 1.00 0.00 O ATOM 551 CB SER A 34 5.242 -14.902 7.579 1.00 0.00 C ATOM 552 OG SER A 34 3.908 -14.416 7.493 1.00 0.00 O ATOM 0 H SER A 34 7.554 -15.726 7.219 1.00 0.00 H new ATOM 0 HA SER A 34 5.254 -15.626 5.540 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.252 -15.889 8.041 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.839 -14.247 8.214 1.00 0.00 H new ATOM 0 HG SER A 34 3.517 -14.372 8.391 1.00 0.00 H new ATOM 558 N ILE A 35 6.793 -12.742 5.971 1.00 0.00 N ATOM 559 CA ILE A 35 6.859 -11.351 5.424 1.00 0.00 C ATOM 560 C ILE A 35 7.984 -11.253 4.392 1.00 0.00 C ATOM 561 O ILE A 35 9.090 -11.716 4.603 1.00 0.00 O ATOM 562 CB ILE A 35 7.114 -10.360 6.564 1.00 0.00 C ATOM 563 CG1 ILE A 35 5.888 -10.332 7.487 1.00 0.00 C ATOM 564 CG2 ILE A 35 7.360 -8.959 5.986 1.00 0.00 C ATOM 565 CD1 ILE A 35 6.225 -9.561 8.765 1.00 0.00 C ATOM 0 H ILE A 35 7.513 -12.970 6.657 1.00 0.00 H new ATOM 0 HA ILE A 35 5.911 -11.109 4.943 1.00 0.00 H new ATOM 0 HB ILE A 35 7.992 -10.670 7.131 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.047 -9.861 6.977 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.583 -11.349 7.734 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.541 -8.256 6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.229 -8.984 5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.485 -8.640 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.353 -9.542 9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.053 -10.051 9.278 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.509 -8.540 8.510 1.00 0.00 H new ATOM 577 N SER A 36 7.698 -10.650 3.271 1.00 0.00 N ATOM 578 CA SER A 36 8.729 -10.507 2.205 1.00 0.00 C ATOM 579 C SER A 36 9.561 -9.251 2.455 1.00 0.00 C ATOM 580 O SER A 36 10.730 -9.315 2.799 1.00 0.00 O ATOM 581 CB SER A 36 8.026 -10.371 0.858 1.00 0.00 C ATOM 582 OG SER A 36 8.981 -10.051 -0.144 1.00 0.00 O ATOM 0 H SER A 36 6.788 -10.248 3.046 1.00 0.00 H new ATOM 0 HA SER A 36 9.380 -11.381 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.516 -11.301 0.606 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.264 -9.594 0.910 1.00 0.00 H new ATOM 0 HG SER A 36 8.952 -9.089 -0.328 1.00 0.00 H new ATOM 588 N GLN A 37 8.975 -8.098 2.267 1.00 0.00 N ATOM 589 CA GLN A 37 9.733 -6.829 2.474 1.00 0.00 C ATOM 590 C GLN A 37 8.841 -5.778 3.133 1.00 0.00 C ATOM 591 O GLN A 37 7.632 -5.790 3.000 1.00 0.00 O ATOM 592 CB GLN A 37 10.211 -6.300 1.119 1.00 0.00 C ATOM 593 CG GLN A 37 9.013 -6.065 0.196 1.00 0.00 C ATOM 594 CD GLN A 37 9.516 -5.617 -1.179 1.00 0.00 C ATOM 595 OE1 GLN A 37 10.573 -6.029 -1.614 1.00 0.00 O ATOM 596 NE2 GLN A 37 8.801 -4.784 -1.886 1.00 0.00 N ATOM 0 H GLN A 37 8.004 -7.980 1.979 1.00 0.00 H new ATOM 0 HA GLN A 37 10.586 -7.029 3.122 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.762 -5.370 1.257 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.898 -7.013 0.663 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.427 -6.979 0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.355 -5.307 0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.913 -4.437 -1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.130 -4.480 -2.802 1.00 0.00 H new ATOM 605 N VAL A 38 9.443 -4.854 3.837 1.00 0.00 N ATOM 606 CA VAL A 38 8.660 -3.773 4.508 1.00 0.00 C ATOM 607 C VAL A 38 9.363 -2.439 4.283 1.00 0.00 C ATOM 608 O VAL A 38 10.545 -2.386 4.002 1.00 0.00 O ATOM 609 CB VAL A 38 8.571 -4.050 6.009 1.00 0.00 C ATOM 610 CG1 VAL A 38 7.780 -5.336 6.238 1.00 0.00 C ATOM 611 CG2 VAL A 38 9.978 -4.207 6.593 1.00 0.00 C ATOM 0 H VAL A 38 10.452 -4.802 3.977 1.00 0.00 H new ATOM 0 HA VAL A 38 7.654 -3.741 4.090 1.00 0.00 H new ATOM 0 HB VAL A 38 8.070 -3.216 6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.714 -5.537 7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.777 -5.224 5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.284 -6.166 5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.908 -4.404 7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.485 -5.039 6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.544 -3.290 6.429 1.00 0.00 H new ATOM 621 N GLY A 39 8.650 -1.356 4.405 1.00 0.00 N ATOM 622 CA GLY A 39 9.291 -0.031 4.196 1.00 0.00 C ATOM 623 C GLY A 39 8.279 1.081 4.433 1.00 0.00 C ATOM 624 O GLY A 39 7.352 0.942 5.207 1.00 0.00 O ATOM 0 H GLY A 39 7.657 -1.331 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.136 0.084 4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.685 0.035 3.182 1.00 0.00 H new ATOM 628 N LEU A 40 8.456 2.193 3.766 1.00 0.00 N ATOM 629 CA LEU A 40 7.515 3.340 3.940 1.00 0.00 C ATOM 630 C LEU A 40 7.159 3.916 2.570 1.00 0.00 C ATOM 631 O LEU A 40 7.955 3.899 1.652 1.00 0.00 O ATOM 632 CB LEU A 40 8.180 4.424 4.801 1.00 0.00 C ATOM 633 CG LEU A 40 9.680 4.553 4.433 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.138 6.006 4.619 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.534 3.636 5.332 1.00 0.00 C ATOM 0 H LEU A 40 9.216 2.356 3.105 1.00 0.00 H new ATOM 0 HA LEU A 40 6.607 2.996 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.677 5.379 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.077 4.174 5.857 1.00 0.00 H new ATOM 0 HG LEU A 40 9.808 4.256 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.193 6.091 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.551 6.658 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.995 6.302 5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.585 3.738 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.399 3.921 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.223 2.600 5.195 1.00 0.00 H new ATOM 647 N LEU A 41 5.959 4.430 2.432 1.00 0.00 N ATOM 648 CA LEU A 41 5.527 5.017 1.127 1.00 0.00 C ATOM 649 C LEU A 41 5.378 6.527 1.278 1.00 0.00 C ATOM 650 O LEU A 41 4.718 7.018 2.177 1.00 0.00 O ATOM 651 CB LEU A 41 4.179 4.423 0.719 1.00 0.00 C ATOM 652 CG LEU A 41 4.275 2.895 0.686 1.00 0.00 C ATOM 653 CD1 LEU A 41 2.917 2.316 0.282 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.349 2.457 -0.325 1.00 0.00 C ATOM 0 H LEU A 41 5.258 4.467 3.172 1.00 0.00 H new ATOM 0 HA LEU A 41 6.273 4.791 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.407 4.733 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.887 4.800 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 41 4.552 2.527 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.978 1.228 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.162 2.620 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.642 2.687 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.411 1.369 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.084 2.821 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.314 2.870 -0.033 1.00 0.00 H new ATOM 666 N GLY A 42 6.000 7.262 0.399 1.00 0.00 N ATOM 667 CA GLY A 42 5.922 8.746 0.463 1.00 0.00 C ATOM 668 C GLY A 42 4.611 9.227 -0.152 1.00 0.00 C ATOM 669 O GLY A 42 3.990 8.544 -0.943 1.00 0.00 O ATOM 0 H GLY A 42 6.564 6.894 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.990 9.078 1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.766 9.186 -0.069 1.00 0.00 H new ATOM 673 N ASP A 43 4.189 10.407 0.207 1.00 0.00 N ATOM 674 CA ASP A 43 2.921 10.945 -0.346 1.00 0.00 C ATOM 675 C ASP A 43 2.763 12.405 0.094 1.00 0.00 C ATOM 676 O ASP A 43 3.117 12.775 1.196 1.00 0.00 O ATOM 677 CB ASP A 43 1.740 10.118 0.175 1.00 0.00 C ATOM 678 CG ASP A 43 0.445 10.599 -0.481 1.00 0.00 C ATOM 679 OD1 ASP A 43 0.491 11.606 -1.167 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.570 9.952 -0.286 1.00 0.00 O ATOM 0 H ASP A 43 4.671 11.022 0.862 1.00 0.00 H new ATOM 0 HA ASP A 43 2.942 10.890 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.899 9.062 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.667 10.213 1.258 1.00 0.00 H new ATOM 685 N GLU A 44 2.234 13.232 -0.763 1.00 0.00 N ATOM 686 CA GLU A 44 2.046 14.670 -0.407 1.00 0.00 C ATOM 687 C GLU A 44 1.238 14.782 0.889 1.00 0.00 C ATOM 688 O GLU A 44 1.176 15.823 1.514 1.00 0.00 O ATOM 689 CB GLU A 44 1.296 15.370 -1.543 1.00 0.00 C ATOM 690 CG GLU A 44 2.199 15.450 -2.774 1.00 0.00 C ATOM 691 CD GLU A 44 1.427 16.063 -3.945 1.00 0.00 C ATOM 692 OE1 GLU A 44 0.273 16.412 -3.754 1.00 0.00 O ATOM 693 OE2 GLU A 44 2.003 16.174 -5.015 1.00 0.00 O ATOM 0 H GLU A 44 1.922 12.975 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 44 3.018 15.141 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.384 14.823 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.996 16.371 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.080 16.053 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.553 14.455 -3.042 1.00 0.00 H new ATOM 700 N THR A 45 0.614 13.713 1.300 1.00 0.00 N ATOM 701 CA THR A 45 -0.193 13.750 2.555 1.00 0.00 C ATOM 702 C THR A 45 0.676 13.295 3.728 1.00 0.00 C ATOM 703 O THR A 45 0.323 13.470 4.879 1.00 0.00 O ATOM 704 CB THR A 45 -1.391 12.810 2.411 1.00 0.00 C ATOM 705 OG1 THR A 45 -0.930 11.467 2.371 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.142 13.138 1.118 1.00 0.00 C ATOM 0 H THR A 45 0.627 12.813 0.821 1.00 0.00 H new ATOM 0 HA THR A 45 -0.546 14.765 2.737 1.00 0.00 H new ATOM 0 HB THR A 45 -2.063 12.937 3.259 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.331 11.006 1.605 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.996 12.469 1.014 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.491 14.170 1.152 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.474 13.009 0.266 1.00 0.00 H new ATOM 714 N GLY A 46 1.818 12.722 3.452 1.00 0.00 N ATOM 715 CA GLY A 46 2.714 12.270 4.564 1.00 0.00 C ATOM 716 C GLY A 46 3.368 10.936 4.207 1.00 0.00 C ATOM 717 O GLY A 46 3.496 10.578 3.053 1.00 0.00 O ATOM 0 H GLY A 46 2.170 12.547 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.482 13.021 4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.139 12.167 5.484 1.00 0.00 H new ATOM 721 N ILE A 47 3.794 10.199 5.207 1.00 0.00 N ATOM 722 CA ILE A 47 4.460 8.881 4.967 1.00 0.00 C ATOM 723 C ILE A 47 3.728 7.790 5.746 1.00 0.00 C ATOM 724 O ILE A 47 3.146 8.035 6.785 1.00 0.00 O ATOM 725 CB ILE A 47 5.921 8.967 5.427 1.00 0.00 C ATOM 726 CG1 ILE A 47 5.996 9.307 6.924 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.628 10.060 4.629 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.460 9.267 7.377 1.00 0.00 C ATOM 0 H ILE A 47 3.707 10.459 6.189 1.00 0.00 H new ATOM 0 HA ILE A 47 4.429 8.637 3.905 1.00 0.00 H new ATOM 0 HB ILE A 47 6.403 8.003 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.573 10.295 7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.405 8.596 7.501 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.668 10.129 4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.590 9.817 3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.131 11.015 4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.519 9.508 8.438 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.866 8.270 7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.037 9.995 6.807 1.00 0.00 H new ATOM 740 N ILE A 48 3.748 6.581 5.249 1.00 0.00 N ATOM 741 CA ILE A 48 3.047 5.467 5.957 1.00 0.00 C ATOM 742 C ILE A 48 3.811 4.158 5.743 1.00 0.00 C ATOM 743 O ILE A 48 4.465 3.960 4.737 1.00 0.00 O ATOM 744 CB ILE A 48 1.624 5.334 5.421 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.863 4.296 6.249 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.668 4.886 3.959 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.628 4.387 5.928 1.00 0.00 C ATOM 0 H ILE A 48 4.219 6.316 4.384 1.00 0.00 H new ATOM 0 HA ILE A 48 3.007 5.685 7.024 1.00 0.00 H new ATOM 0 HB ILE A 48 1.119 6.297 5.490 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.234 3.295 6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.029 4.470 7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.652 4.791 3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.210 5.624 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.173 3.923 3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.173 3.649 6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.992 5.385 6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.784 4.192 4.867 1.00 0.00 H new ATOM 759 N LYS A 49 3.738 3.267 6.695 1.00 0.00 N ATOM 760 CA LYS A 49 4.465 1.969 6.579 1.00 0.00 C ATOM 761 C LYS A 49 3.640 0.967 5.776 1.00 0.00 C ATOM 762 O LYS A 49 2.424 0.994 5.780 1.00 0.00 O ATOM 763 CB LYS A 49 4.705 1.410 7.980 1.00 0.00 C ATOM 764 CG LYS A 49 5.511 2.408 8.823 1.00 0.00 C ATOM 765 CD LYS A 49 6.986 2.387 8.407 1.00 0.00 C ATOM 766 CE LYS A 49 7.783 3.324 9.311 1.00 0.00 C ATOM 767 NZ LYS A 49 9.201 3.350 8.855 1.00 0.00 N ATOM 0 H LYS A 49 3.202 3.383 7.555 1.00 0.00 H new ATOM 0 HA LYS A 49 5.413 2.135 6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.751 1.203 8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.241 0.463 7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.105 3.412 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.421 2.158 9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.380 1.373 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.086 2.696 7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.359 4.328 9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.727 2.986 10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.831 3.391 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.405 2.490 8.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.358 4.187 8.258 1.00 0.00 H new ATOM 781 N PHE A 50 4.298 0.069 5.089 1.00 0.00 N ATOM 782 CA PHE A 50 3.559 -0.948 4.290 1.00 0.00 C ATOM 783 C PHE A 50 4.309 -2.277 4.352 1.00 0.00 C ATOM 784 O PHE A 50 5.517 -2.320 4.508 1.00 0.00 O ATOM 785 CB PHE A 50 3.447 -0.476 2.833 1.00 0.00 C ATOM 786 CG PHE A 50 4.778 -0.613 2.115 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.819 0.288 2.369 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.962 -1.645 1.185 1.00 0.00 C ATOM 789 CE1 PHE A 50 7.042 0.154 1.693 1.00 0.00 C ATOM 790 CE2 PHE A 50 6.183 -1.777 0.510 1.00 0.00 C ATOM 791 CZ PHE A 50 7.221 -0.876 0.763 1.00 0.00 C ATOM 0 H PHE A 50 5.315 -0.002 5.048 1.00 0.00 H new ATOM 0 HA PHE A 50 2.557 -1.079 4.698 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.688 -1.061 2.314 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.121 0.564 2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.681 1.085 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.160 -2.341 0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.846 0.847 1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.322 -2.574 -0.205 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.161 -0.975 0.241 1.00 0.00 H new ATOM 801 N THR A 51 3.594 -3.366 4.226 1.00 0.00 N ATOM 802 CA THR A 51 4.238 -4.714 4.269 1.00 0.00 C ATOM 803 C THR A 51 3.716 -5.565 3.112 1.00 0.00 C ATOM 804 O THR A 51 2.538 -5.571 2.811 1.00 0.00 O ATOM 805 CB THR A 51 3.913 -5.399 5.596 1.00 0.00 C ATOM 806 OG1 THR A 51 4.551 -4.694 6.651 1.00 0.00 O ATOM 807 CG2 THR A 51 4.408 -6.848 5.571 1.00 0.00 C ATOM 0 H THR A 51 2.583 -3.379 4.094 1.00 0.00 H new ATOM 0 HA THR A 51 5.318 -4.601 4.179 1.00 0.00 H new ATOM 0 HB THR A 51 2.834 -5.397 5.751 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.931 -4.601 7.404 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.173 -7.329 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.918 -7.386 4.760 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.487 -6.861 5.415 1.00 0.00 H new ATOM 815 N ILE A 52 4.588 -6.282 2.452 1.00 0.00 N ATOM 816 CA ILE A 52 4.150 -7.131 1.306 1.00 0.00 C ATOM 817 C ILE A 52 3.978 -8.577 1.771 1.00 0.00 C ATOM 818 O ILE A 52 4.895 -9.199 2.283 1.00 0.00 O ATOM 819 CB ILE A 52 5.207 -7.074 0.206 1.00 0.00 C ATOM 820 CG1 ILE A 52 5.539 -5.608 -0.112 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.675 -7.766 -1.049 1.00 0.00 C ATOM 822 CD1 ILE A 52 4.255 -4.824 -0.409 1.00 0.00 C ATOM 0 H ILE A 52 5.586 -6.316 2.658 1.00 0.00 H new ATOM 0 HA ILE A 52 3.199 -6.761 0.923 1.00 0.00 H new ATOM 0 HB ILE A 52 6.110 -7.583 0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.063 -5.156 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.210 -5.558 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.430 -7.725 -1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.445 -8.807 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.771 -7.260 -1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.505 -3.787 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.748 -5.268 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.598 -4.859 0.460 1.00 0.00 H new ATOM 834 N TRP A 53 2.797 -9.114 1.590 1.00 0.00 N ATOM 835 CA TRP A 53 2.526 -10.519 2.005 1.00 0.00 C ATOM 836 C TRP A 53 2.646 -11.447 0.791 1.00 0.00 C ATOM 837 O TRP A 53 2.232 -11.120 -0.303 1.00 0.00 O ATOM 838 CB TRP A 53 1.107 -10.600 2.568 1.00 0.00 C ATOM 839 CG TRP A 53 1.032 -9.826 3.846 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.391 -8.644 4.008 1.00 0.00 C ATOM 841 CD2 TRP A 53 1.610 -10.156 5.142 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.534 -8.233 5.321 1.00 0.00 N ATOM 843 CE2 TRP A 53 1.278 -9.131 6.059 1.00 0.00 C ATOM 844 CE3 TRP A 53 2.379 -11.237 5.604 1.00 0.00 C ATOM 845 CZ2 TRP A 53 1.697 -9.178 7.389 1.00 0.00 C ATOM 846 CZ3 TRP A 53 2.804 -11.288 6.941 1.00 0.00 C ATOM 847 CH2 TRP A 53 2.463 -10.260 7.832 1.00 0.00 C ATOM 0 H TRP A 53 2.003 -8.632 1.168 1.00 0.00 H new ATOM 0 HA TRP A 53 3.247 -10.826 2.763 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.395 -10.200 1.846 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.833 -11.640 2.744 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.145 -8.109 3.237 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.138 -7.372 5.698 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.645 -12.034 4.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.431 -8.384 8.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.396 -12.123 7.285 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.792 -10.304 8.860 1.00 0.00 H new ATOM 858 N LYS A 54 3.203 -12.610 0.981 1.00 0.00 N ATOM 859 CA LYS A 54 3.349 -13.577 -0.148 1.00 0.00 C ATOM 860 C LYS A 54 2.054 -14.383 -0.312 1.00 0.00 C ATOM 861 O LYS A 54 1.867 -15.094 -1.281 1.00 0.00 O ATOM 862 CB LYS A 54 4.511 -14.524 0.159 1.00 0.00 C ATOM 863 CG LYS A 54 5.856 -13.806 -0.059 1.00 0.00 C ATOM 864 CD LYS A 54 6.279 -13.922 -1.530 1.00 0.00 C ATOM 865 CE LYS A 54 7.626 -13.232 -1.736 1.00 0.00 C ATOM 866 NZ LYS A 54 7.425 -11.755 -1.752 1.00 0.00 N ATOM 0 H LYS A 54 3.567 -12.937 1.876 1.00 0.00 H new ATOM 0 HA LYS A 54 3.548 -13.036 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.441 -14.875 1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.452 -15.403 -0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.767 -12.756 0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.620 -14.244 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.350 -14.971 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.525 -13.467 -2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.315 -13.508 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.076 -13.560 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.265 -11.286 -1.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.278 -11.435 -2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.591 -11.512 -1.180 1.00 0.00 H new ATOM 880 N ASN A 55 1.160 -14.274 0.625 1.00 0.00 N ATOM 881 CA ASN A 55 -0.120 -15.036 0.528 1.00 0.00 C ATOM 882 C ASN A 55 -0.888 -14.589 -0.723 1.00 0.00 C ATOM 883 O ASN A 55 -1.460 -15.389 -1.440 1.00 0.00 O ATOM 884 CB ASN A 55 -0.966 -14.743 1.770 1.00 0.00 C ATOM 885 CG ASN A 55 -0.429 -15.534 2.966 1.00 0.00 C ATOM 886 OD1 ASN A 55 0.296 -16.494 2.799 1.00 0.00 O ATOM 887 ND2 ASN A 55 -0.756 -15.164 4.175 1.00 0.00 N ATOM 0 H ASN A 55 1.256 -13.691 1.456 1.00 0.00 H new ATOM 0 HA ASN A 55 0.090 -16.104 0.463 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.946 -13.676 1.991 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.006 -15.011 1.583 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.402 -15.681 4.980 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.365 -14.358 4.314 1.00 0.00 H new ATOM 894 N ALA A 56 -0.896 -13.316 -0.992 1.00 0.00 N ATOM 895 CA ALA A 56 -1.613 -12.805 -2.193 1.00 0.00 C ATOM 896 C ALA A 56 -0.758 -13.081 -3.439 1.00 0.00 C ATOM 897 O ALA A 56 -1.188 -12.887 -4.561 1.00 0.00 O ATOM 898 CB ALA A 56 -1.839 -11.301 -2.029 1.00 0.00 C ATOM 0 H ALA A 56 -0.434 -12.602 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.576 -13.303 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.364 -10.914 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.437 -11.118 -1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.877 -10.797 -1.931 1.00 0.00 H new ATOM 904 N GLU A 57 0.456 -13.522 -3.233 1.00 0.00 N ATOM 905 CA GLU A 57 1.372 -13.817 -4.377 1.00 0.00 C ATOM 906 C GLU A 57 1.556 -12.560 -5.223 1.00 0.00 C ATOM 907 O GLU A 57 1.273 -12.543 -6.405 1.00 0.00 O ATOM 908 CB GLU A 57 0.810 -14.953 -5.240 1.00 0.00 C ATOM 909 CG GLU A 57 0.857 -16.251 -4.437 1.00 0.00 C ATOM 910 CD GLU A 57 0.206 -17.374 -5.244 1.00 0.00 C ATOM 911 OE1 GLU A 57 -0.172 -17.120 -6.375 1.00 0.00 O ATOM 912 OE2 GLU A 57 0.094 -18.467 -4.714 1.00 0.00 O ATOM 0 H GLU A 57 0.857 -13.692 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 57 2.338 -14.132 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.215 -14.730 -5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.392 -15.055 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.890 -16.509 -4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.337 -16.123 -3.488 1.00 0.00 H new ATOM 919 N LEU A 58 2.031 -11.501 -4.617 1.00 0.00 N ATOM 920 CA LEU A 58 2.245 -10.223 -5.367 1.00 0.00 C ATOM 921 C LEU A 58 3.750 -10.020 -5.611 1.00 0.00 C ATOM 922 O LEU A 58 4.566 -10.419 -4.809 1.00 0.00 O ATOM 923 CB LEU A 58 1.701 -9.061 -4.537 1.00 0.00 C ATOM 924 CG LEU A 58 0.299 -9.406 -4.039 1.00 0.00 C ATOM 925 CD1 LEU A 58 -0.240 -8.245 -3.205 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.630 -9.653 -5.238 1.00 0.00 C ATOM 0 H LEU A 58 2.282 -11.466 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 58 1.726 -10.265 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.361 -8.863 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.672 -8.152 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 58 0.342 -10.307 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.241 -8.488 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.418 -8.073 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.282 -7.345 -3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.629 -9.899 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.676 -8.755 -5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.244 -10.481 -5.833 1.00 0.00 H new ATOM 938 N PRO A 59 4.115 -9.407 -6.714 1.00 0.00 N ATOM 939 CA PRO A 59 5.548 -9.152 -7.065 1.00 0.00 C ATOM 940 C PRO A 59 6.215 -8.101 -6.162 1.00 0.00 C ATOM 941 O PRO A 59 5.562 -7.299 -5.520 1.00 0.00 O ATOM 942 CB PRO A 59 5.475 -8.670 -8.523 1.00 0.00 C ATOM 943 CG PRO A 59 4.120 -8.059 -8.654 1.00 0.00 C ATOM 944 CD PRO A 59 3.207 -8.888 -7.756 1.00 0.00 C ATOM 0 HA PRO A 59 6.163 -10.042 -6.929 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.259 -7.944 -8.740 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.605 -9.498 -9.220 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.130 -7.014 -8.345 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.778 -8.082 -9.689 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.410 -8.281 -7.326 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.729 -9.697 -8.309 1.00 0.00 H new ATOM 952 N LEU A 60 7.521 -8.110 -6.109 1.00 0.00 N ATOM 953 CA LEU A 60 8.249 -7.128 -5.255 1.00 0.00 C ATOM 954 C LEU A 60 8.155 -5.725 -5.872 1.00 0.00 C ATOM 955 O LEU A 60 8.198 -5.553 -7.076 1.00 0.00 O ATOM 956 CB LEU A 60 9.720 -7.546 -5.135 1.00 0.00 C ATOM 957 CG LEU A 60 9.824 -8.921 -4.451 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.295 -9.351 -4.385 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.247 -8.848 -3.023 1.00 0.00 C ATOM 0 H LEU A 60 8.117 -8.759 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 60 7.796 -7.109 -4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.176 -7.587 -6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.272 -6.802 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 60 9.254 -9.648 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.368 -10.325 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.701 -9.417 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.863 -8.618 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.326 -9.826 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.807 -8.116 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.200 -8.550 -3.069 1.00 0.00 H new ATOM 971 N LEU A 61 8.007 -4.727 -5.041 1.00 0.00 N ATOM 972 CA LEU A 61 7.885 -3.325 -5.541 1.00 0.00 C ATOM 973 C LEU A 61 9.266 -2.749 -5.884 1.00 0.00 C ATOM 974 O LEU A 61 10.269 -3.091 -5.285 1.00 0.00 O ATOM 975 CB LEU A 61 7.220 -2.463 -4.460 1.00 0.00 C ATOM 976 CG LEU A 61 5.710 -2.734 -4.440 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.446 -4.170 -3.970 1.00 0.00 C ATOM 978 CD2 LEU A 61 5.033 -1.747 -3.486 1.00 0.00 C ATOM 0 H LEU A 61 7.965 -4.824 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 61 7.277 -3.323 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.653 -2.687 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.407 -1.407 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 61 5.305 -2.608 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.372 -4.357 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.929 -4.870 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.849 -4.304 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.960 -1.936 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.440 -1.873 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.217 -0.728 -3.826 1.00 0.00 H new ATOM 990 N GLU A 62 9.314 -1.868 -6.854 1.00 0.00 N ATOM 991 CA GLU A 62 10.612 -1.247 -7.268 1.00 0.00 C ATOM 992 C GLU A 62 10.687 0.194 -6.747 1.00 0.00 C ATOM 993 O GLU A 62 9.799 0.998 -6.956 1.00 0.00 O ATOM 994 CB GLU A 62 10.692 -1.245 -8.796 1.00 0.00 C ATOM 995 CG GLU A 62 10.757 -2.689 -9.310 1.00 0.00 C ATOM 996 CD GLU A 62 12.053 -3.353 -8.830 1.00 0.00 C ATOM 997 OE1 GLU A 62 12.966 -2.628 -8.470 1.00 0.00 O ATOM 998 OE2 GLU A 62 12.105 -4.571 -8.827 1.00 0.00 O ATOM 0 H GLU A 62 8.501 -1.550 -7.382 1.00 0.00 H new ATOM 0 HA GLU A 62 11.443 -1.818 -6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.823 -0.738 -9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.572 -0.692 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.895 -3.252 -8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.714 -2.699 -10.399 1.00 0.00 H new ATOM 1005 N GLN A 63 11.746 0.507 -6.047 1.00 0.00 N ATOM 1006 CA GLN A 63 11.916 1.876 -5.468 1.00 0.00 C ATOM 1007 C GLN A 63 12.039 2.945 -6.559 1.00 0.00 C ATOM 1008 O GLN A 63 12.581 2.719 -7.623 1.00 0.00 O ATOM 1009 CB GLN A 63 13.183 1.903 -4.613 1.00 0.00 C ATOM 1010 CG GLN A 63 13.353 3.290 -3.981 1.00 0.00 C ATOM 1011 CD GLN A 63 14.536 3.279 -3.009 1.00 0.00 C ATOM 1012 OE1 GLN A 63 14.966 2.233 -2.562 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.086 4.412 -2.667 1.00 0.00 N ATOM 0 H GLN A 63 12.512 -0.136 -5.848 1.00 0.00 H new ATOM 0 HA GLN A 63 11.033 2.098 -4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.123 1.143 -3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.052 1.664 -5.226 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.517 4.036 -4.759 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.442 3.574 -3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.724 5.289 -3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.878 4.421 -2.024 1.00 0.00 H new ATOM 1022 N GLY A 64 11.556 4.127 -6.270 1.00 0.00 N ATOM 1023 CA GLY A 64 11.648 5.245 -7.251 1.00 0.00 C ATOM 1024 C GLY A 64 10.534 5.123 -8.284 1.00 0.00 C ATOM 1025 O GLY A 64 10.634 5.638 -9.383 1.00 0.00 O ATOM 0 H GLY A 64 11.099 4.365 -5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.573 6.201 -6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.619 5.226 -7.746 1.00 0.00 H new ATOM 1029 N GLU A 65 9.469 4.443 -7.948 1.00 0.00 N ATOM 1030 CA GLU A 65 8.342 4.288 -8.917 1.00 0.00 C ATOM 1031 C GLU A 65 7.003 4.427 -8.192 1.00 0.00 C ATOM 1032 O GLU A 65 6.844 4.035 -7.045 1.00 0.00 O ATOM 1033 CB GLU A 65 8.425 2.918 -9.589 1.00 0.00 C ATOM 1034 CG GLU A 65 9.652 2.877 -10.502 1.00 0.00 C ATOM 1035 CD GLU A 65 9.774 1.489 -11.132 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.921 0.660 -10.859 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.716 1.280 -11.877 1.00 0.00 O ATOM 0 H GLU A 65 9.330 3.988 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 65 8.417 5.067 -9.675 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.492 2.134 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.521 2.728 -10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.564 3.635 -11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.551 3.109 -9.931 1.00 0.00 H new ATOM 1044 N SER A 66 6.037 4.996 -8.865 1.00 0.00 N ATOM 1045 CA SER A 66 4.694 5.180 -8.257 1.00 0.00 C ATOM 1046 C SER A 66 3.869 3.909 -8.429 1.00 0.00 C ATOM 1047 O SER A 66 4.026 3.171 -9.384 1.00 0.00 O ATOM 1048 CB SER A 66 3.988 6.346 -8.939 1.00 0.00 C ATOM 1049 OG SER A 66 4.125 6.210 -10.345 1.00 0.00 O ATOM 0 H SER A 66 6.126 5.343 -9.820 1.00 0.00 H new ATOM 0 HA SER A 66 4.804 5.391 -7.193 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.934 6.361 -8.663 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.418 7.292 -8.609 1.00 0.00 H new ATOM 0 HG SER A 66 3.815 7.029 -10.785 1.00 0.00 H new ATOM 1055 N TYR A 67 2.982 3.645 -7.508 1.00 0.00 N ATOM 1056 CA TYR A 67 2.142 2.419 -7.609 1.00 0.00 C ATOM 1057 C TYR A 67 0.735 2.699 -7.099 1.00 0.00 C ATOM 1058 O TYR A 67 0.515 3.542 -6.240 1.00 0.00 O ATOM 1059 CB TYR A 67 2.764 1.303 -6.776 1.00 0.00 C ATOM 1060 CG TYR A 67 4.018 0.814 -7.458 1.00 0.00 C ATOM 1061 CD1 TYR A 67 3.916 0.027 -8.610 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.275 1.145 -6.944 1.00 0.00 C ATOM 1063 CE1 TYR A 67 5.073 -0.428 -9.249 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.432 0.690 -7.583 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.330 -0.098 -8.735 1.00 0.00 C ATOM 1066 OH TYR A 67 7.471 -0.548 -9.367 1.00 0.00 O ATOM 0 H TYR A 67 2.803 4.227 -6.689 1.00 0.00 H new ATOM 0 HA TYR A 67 2.090 2.116 -8.655 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.998 1.667 -5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.056 0.483 -6.659 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.944 -0.229 -9.005 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.352 1.752 -6.054 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.996 -1.034 -10.139 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.404 0.946 -7.188 1.00 0.00 H new ATOM 0 HH TYR A 67 8.000 0.219 -9.672 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.218 1.971 -7.622 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.637 2.133 -7.198 1.00 0.00 C ATOM 1078 C LEU A 68 -2.075 0.861 -6.469 1.00 0.00 C ATOM 1079 O LEU A 68 -2.013 -0.232 -7.003 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.502 2.364 -8.442 1.00 0.00 C ATOM 1081 CG LEU A 68 -3.989 2.300 -8.077 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.290 3.261 -6.921 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.824 2.697 -9.300 1.00 0.00 C ATOM 0 H LEU A 68 -0.068 1.259 -8.337 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.747 2.986 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.270 3.335 -8.879 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.273 1.612 -9.197 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.240 1.285 -7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.349 3.207 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.696 2.981 -6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.039 4.279 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.883 2.654 -9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.565 3.711 -9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.618 2.009 -10.120 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.505 0.996 -5.241 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.935 -0.196 -4.449 1.00 0.00 C ATOM 1097 C LEU A 69 -4.455 -0.292 -4.443 1.00 0.00 C ATOM 1098 O LEU A 69 -5.147 0.672 -4.170 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.440 -0.046 -3.013 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.922 0.162 -3.008 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.438 0.314 -1.564 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.226 -1.040 -3.665 1.00 0.00 C ATOM 0 H LEU A 69 -2.577 1.887 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.517 -1.097 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.934 0.800 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.697 -0.934 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.678 1.062 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.642 0.462 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.926 1.174 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.685 -0.586 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.853 -0.884 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.466 -1.947 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.571 -1.142 -4.694 1.00 0.00 H new ATOM 1114 N ARG A 70 -4.981 -1.455 -4.744 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.467 -1.642 -4.766 1.00 0.00 C ATOM 1116 C ARG A 70 -6.870 -2.832 -3.893 1.00 0.00 C ATOM 1117 O ARG A 70 -6.183 -3.834 -3.815 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.926 -1.893 -6.200 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.738 -0.616 -7.019 1.00 0.00 C ATOM 1120 CD ARG A 70 -7.093 -0.889 -8.483 1.00 0.00 C ATOM 1121 NE ARG A 70 -8.530 -1.281 -8.577 1.00 0.00 N ATOM 1122 CZ ARG A 70 -9.035 -1.675 -9.714 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -8.289 -1.729 -10.781 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -10.292 -2.018 -9.781 1.00 0.00 N ATOM 0 H ARG A 70 -4.441 -2.288 -4.977 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.939 -0.740 -4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.353 -2.709 -6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.973 -2.196 -6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.370 0.179 -6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.707 -0.271 -6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.906 -0.001 -9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.461 -1.683 -8.881 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.121 -1.241 -7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.306 -1.463 -10.730 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.688 -2.038 -11.667 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.877 -1.978 -8.946 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.690 -2.326 -10.668 1.00 0.00 H new ATOM 1138 N SER A 71 -8.001 -2.719 -3.244 1.00 0.00 N ATOM 1139 CA SER A 71 -8.504 -3.821 -2.372 1.00 0.00 C ATOM 1140 C SER A 71 -7.483 -4.147 -1.277 1.00 0.00 C ATOM 1141 O SER A 71 -7.035 -5.271 -1.146 1.00 0.00 O ATOM 1142 CB SER A 71 -8.783 -5.068 -3.214 1.00 0.00 C ATOM 1143 OG SER A 71 -9.370 -4.676 -4.446 1.00 0.00 O ATOM 0 H SER A 71 -8.605 -1.898 -3.283 1.00 0.00 H new ATOM 0 HA SER A 71 -9.430 -3.495 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.857 -5.614 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.450 -5.742 -2.677 1.00 0.00 H new ATOM 0 HG SER A 71 -9.549 -5.471 -4.990 1.00 0.00 H new ATOM 1149 N VAL A 72 -7.125 -3.167 -0.481 1.00 0.00 N ATOM 1150 CA VAL A 72 -6.143 -3.399 0.627 1.00 0.00 C ATOM 1151 C VAL A 72 -6.803 -3.100 1.968 1.00 0.00 C ATOM 1152 O VAL A 72 -7.849 -2.478 2.038 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.925 -2.494 0.448 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -4.140 -2.942 -0.783 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.376 -1.041 0.263 1.00 0.00 C ATOM 0 H VAL A 72 -7.473 -2.211 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.822 -4.440 0.601 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.293 -2.562 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.270 -2.298 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.812 -3.973 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.777 -2.875 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.502 -0.402 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.011 -0.967 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.936 -0.719 1.141 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.190 -3.544 3.038 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.755 -3.311 4.401 1.00 0.00 C ATOM 1167 C VAL A 73 -5.749 -2.523 5.239 1.00 0.00 C ATOM 1168 O VAL A 73 -4.560 -2.784 5.222 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.050 -4.657 5.066 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.746 -5.416 5.333 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.780 -4.412 6.385 1.00 0.00 C ATOM 0 H VAL A 73 -5.312 -4.064 3.023 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.681 -2.741 4.324 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.673 -5.257 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.972 -6.372 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.228 -5.591 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.110 -4.826 5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.994 -5.367 6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.153 -3.808 7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.715 -3.886 6.191 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.221 -1.540 5.958 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.304 -0.708 6.782 1.00 0.00 C ATOM 1183 C VAL A 74 -4.997 -1.421 8.099 1.00 0.00 C ATOM 1184 O VAL A 74 -5.863 -1.645 8.925 1.00 0.00 O ATOM 1185 CB VAL A 74 -5.973 0.634 7.058 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.052 1.504 7.913 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.253 1.340 5.727 1.00 0.00 C ATOM 0 H VAL A 74 -7.206 -1.278 6.009 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.368 -0.548 6.247 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.909 0.471 7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.534 2.462 8.108 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.850 1.000 8.858 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.114 1.671 7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.732 2.300 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.315 1.501 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.912 0.721 5.118 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.758 -1.784 8.292 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.362 -2.494 9.541 1.00 0.00 C ATOM 1199 C GLY A 75 -3.073 -1.482 10.649 1.00 0.00 C ATOM 1200 O GLY A 75 -2.948 -0.297 10.408 1.00 0.00 O ATOM 0 H GLY A 75 -2.998 -1.618 7.633 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.158 -3.170 9.853 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.479 -3.106 9.357 1.00 0.00 H new ATOM 1204 N GLU A 76 -2.962 -1.947 11.868 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.680 -1.025 13.010 1.00 0.00 C ATOM 1206 C GLU A 76 -1.229 -1.193 13.459 1.00 0.00 C ATOM 1207 O GLU A 76 -0.788 -2.277 13.794 1.00 0.00 O ATOM 1208 CB GLU A 76 -3.612 -1.353 14.176 1.00 0.00 C ATOM 1209 CG GLU A 76 -3.353 -0.367 15.318 1.00 0.00 C ATOM 1210 CD GLU A 76 -4.346 -0.611 16.455 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -5.010 -1.634 16.428 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -4.425 0.231 17.333 1.00 0.00 O ATOM 0 H GLU A 76 -3.055 -2.930 12.122 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.845 0.004 12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.652 -1.291 13.855 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.443 -2.375 14.516 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.333 -0.482 15.684 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.448 0.656 14.955 1.00 0.00 H new ATOM 1219 N TYR A 77 -0.486 -0.112 13.474 1.00 0.00 N ATOM 1220 CA TYR A 77 0.942 -0.166 13.902 1.00 0.00 C ATOM 1221 C TYR A 77 1.130 0.755 15.117 1.00 0.00 C ATOM 1222 O TYR A 77 1.556 1.890 15.006 1.00 0.00 O ATOM 1223 CB TYR A 77 1.822 0.291 12.739 1.00 0.00 C ATOM 1224 CG TYR A 77 3.268 0.013 13.061 1.00 0.00 C ATOM 1225 CD1 TYR A 77 3.815 -1.249 12.794 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.061 1.014 13.628 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.155 -1.508 13.098 1.00 0.00 C ATOM 1228 CE2 TYR A 77 5.403 0.756 13.931 1.00 0.00 C ATOM 1229 CZ TYR A 77 5.949 -0.506 13.665 1.00 0.00 C ATOM 1230 OH TYR A 77 7.271 -0.761 13.967 1.00 0.00 O ATOM 0 H TYR A 77 -0.815 0.815 13.204 1.00 0.00 H new ATOM 0 HA TYR A 77 1.223 -1.181 14.181 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.535 -0.230 11.826 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.678 1.356 12.557 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.202 -2.021 12.354 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.639 1.987 13.832 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.577 -2.481 12.895 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.017 1.529 14.369 1.00 0.00 H new ATOM 0 HH TYR A 77 7.679 0.042 14.353 1.00 0.00 H new ATOM 1240 N ASN A 78 0.808 0.252 16.277 1.00 0.00 N ATOM 1241 CA ASN A 78 0.947 1.041 17.546 1.00 0.00 C ATOM 1242 C ASN A 78 0.457 2.492 17.385 1.00 0.00 C ATOM 1243 O ASN A 78 -0.706 2.751 17.141 1.00 0.00 O ATOM 1244 CB ASN A 78 2.416 1.053 17.974 1.00 0.00 C ATOM 1245 CG ASN A 78 2.551 1.787 19.311 1.00 0.00 C ATOM 1246 OD1 ASN A 78 1.612 1.851 20.081 1.00 0.00 O ATOM 1247 ND2 ASN A 78 3.689 2.345 19.623 1.00 0.00 N ATOM 0 H ASN A 78 0.446 -0.693 16.407 1.00 0.00 H new ATOM 0 HA ASN A 78 0.327 0.562 18.303 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.787 0.032 18.068 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.024 1.544 17.214 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.790 2.834 20.512 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.477 2.292 18.978 1.00 0.00 H new ATOM 1254 N ASP A 79 1.339 3.439 17.555 1.00 0.00 N ATOM 1255 CA ASP A 79 0.945 4.873 17.444 1.00 0.00 C ATOM 1256 C ASP A 79 0.631 5.217 15.990 1.00 0.00 C ATOM 1257 O ASP A 79 -0.237 6.018 15.700 1.00 0.00 O ATOM 1258 CB ASP A 79 2.096 5.749 17.938 1.00 0.00 C ATOM 1259 CG ASP A 79 1.604 7.183 18.151 1.00 0.00 C ATOM 1260 OD1 ASP A 79 0.406 7.367 18.277 1.00 0.00 O ATOM 1261 OD2 ASP A 79 2.438 8.073 18.186 1.00 0.00 O ATOM 0 H ASP A 79 2.324 3.279 17.768 1.00 0.00 H new ATOM 0 HA ASP A 79 0.057 5.051 18.051 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.494 5.350 18.871 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.910 5.738 17.213 1.00 0.00 H new ATOM 1266 N ARG A 80 1.344 4.626 15.068 1.00 0.00 N ATOM 1267 CA ARG A 80 1.107 4.920 13.623 1.00 0.00 C ATOM 1268 C ARG A 80 0.286 3.800 12.990 1.00 0.00 C ATOM 1269 O ARG A 80 -0.231 2.930 13.665 1.00 0.00 O ATOM 1270 CB ARG A 80 2.444 5.028 12.897 1.00 0.00 C ATOM 1271 CG ARG A 80 3.163 6.300 13.340 1.00 0.00 C ATOM 1272 CD ARG A 80 4.515 6.389 12.633 1.00 0.00 C ATOM 1273 NE ARG A 80 5.214 7.643 13.045 1.00 0.00 N ATOM 1274 CZ ARG A 80 5.959 7.664 14.119 1.00 0.00 C ATOM 1275 NH1 ARG A 80 6.091 6.592 14.849 1.00 0.00 N ATOM 1276 NH2 ARG A 80 6.572 8.764 14.461 1.00 0.00 N ATOM 0 H ARG A 80 2.084 3.949 15.254 1.00 0.00 H new ATOM 0 HA ARG A 80 0.563 5.861 13.539 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.060 4.155 13.115 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.284 5.045 11.819 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.558 7.175 13.103 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.305 6.294 14.421 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.125 5.521 12.883 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.373 6.378 11.552 1.00 0.00 H new ATOM 0 HE ARG A 80 5.109 8.489 12.485 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.612 5.732 14.583 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.673 6.614 15.686 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.469 9.604 13.891 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.154 8.784 15.298 1.00 0.00 H new ATOM 1290 N PHE A 81 0.154 3.825 11.687 1.00 0.00 N ATOM 1291 CA PHE A 81 -0.645 2.779 10.980 1.00 0.00 C ATOM 1292 C PHE A 81 0.179 2.162 9.856 1.00 0.00 C ATOM 1293 O PHE A 81 1.043 2.793 9.276 1.00 0.00 O ATOM 1294 CB PHE A 81 -1.895 3.425 10.396 1.00 0.00 C ATOM 1295 CG PHE A 81 -2.777 3.883 11.530 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -3.668 2.984 12.124 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -2.694 5.201 11.994 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -4.482 3.403 13.180 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -3.509 5.620 13.053 1.00 0.00 C ATOM 1300 CZ PHE A 81 -4.402 4.721 13.647 1.00 0.00 C ATOM 0 H PHE A 81 0.569 4.531 11.079 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.923 1.996 11.685 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.623 4.270 9.764 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.429 2.714 9.766 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.727 1.966 11.767 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.003 5.893 11.536 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.173 2.710 13.636 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.448 6.637 13.411 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.029 5.043 14.465 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.086 0.921 9.551 1.00 0.00 N ATOM 1311 CA GLN A 82 0.663 0.220 8.471 1.00 0.00 C ATOM 1312 C GLN A 82 -0.326 -0.509 7.559 1.00 0.00 C ATOM 1313 O GLN A 82 -1.148 -1.288 8.006 1.00 0.00 O ATOM 1314 CB GLN A 82 1.625 -0.784 9.106 1.00 0.00 C ATOM 1315 CG GLN A 82 2.301 -1.619 8.019 1.00 0.00 C ATOM 1316 CD GLN A 82 3.380 -2.496 8.651 1.00 0.00 C ATOM 1317 OE1 GLN A 82 3.315 -3.788 8.503 1.00 0.00 O flip ATOM 1318 NE2 GLN A 82 4.283 -2.001 9.298 1.00 0.00 N flip ATOM 0 H GLN A 82 -0.800 0.356 10.011 1.00 0.00 H new ATOM 0 HA GLN A 82 1.228 0.940 7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.378 -0.258 9.693 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.084 -1.435 9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.564 -2.240 7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.742 -0.967 7.265 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.333 -0.989 9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.991 -2.598 9.726 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.249 -0.259 6.281 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.177 -0.930 5.327 1.00 0.00 C ATOM 1329 C VAL A 83 -0.663 -2.334 5.016 1.00 0.00 C ATOM 1330 O VAL A 83 0.527 -2.561 4.887 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.271 -0.113 4.038 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.818 1.275 4.362 1.00 0.00 C ATOM 1333 CG2 VAL A 83 0.117 0.024 3.404 1.00 0.00 C ATOM 0 H VAL A 83 0.419 0.383 5.855 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.168 -1.002 5.776 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.936 -0.620 3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.887 1.862 3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.808 1.181 4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.150 1.775 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.042 0.607 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.787 0.528 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.511 -0.966 3.174 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.558 -3.286 4.904 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.144 -4.693 4.613 1.00 0.00 C ATOM 1345 C GLN A 84 -1.601 -5.085 3.212 1.00 0.00 C ATOM 1346 O GLN A 84 -2.776 -5.068 2.892 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.789 -5.623 5.639 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.182 -5.339 7.014 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.870 -6.210 8.066 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.679 -7.056 7.739 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.581 -6.033 9.324 1.00 0.00 N ATOM 0 H GLN A 84 -2.564 -3.147 5.003 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.059 -4.775 4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.868 -5.467 5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.623 -6.664 5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.112 -5.544 7.000 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.301 -4.285 7.265 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.902 -5.322 9.596 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.034 -6.605 10.037 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.672 -5.445 2.371 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.027 -5.851 0.985 1.00 0.00 C ATOM 1362 C VAL A 85 -1.200 -7.369 0.953 1.00 0.00 C ATOM 1363 O VAL A 85 -0.240 -8.121 0.889 1.00 0.00 O ATOM 1364 CB VAL A 85 0.100 -5.430 0.041 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.388 -5.486 -1.410 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.534 -3.999 0.382 1.00 0.00 C ATOM 0 H VAL A 85 0.324 -5.475 2.587 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.954 -5.373 0.669 1.00 0.00 H new ATOM 0 HB VAL A 85 0.945 -6.109 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.420 -5.185 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.698 -6.503 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.234 -4.810 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.338 -3.693 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.314 -3.324 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.887 -3.962 1.413 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.425 -7.827 1.007 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.689 -9.292 0.991 1.00 0.00 C ATOM 1378 C ASN A 86 -4.050 -9.553 0.349 1.00 0.00 C ATOM 1379 O ASN A 86 -4.721 -8.650 -0.109 1.00 0.00 O ATOM 1380 CB ASN A 86 -2.687 -9.846 2.424 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.585 -8.994 3.328 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.496 -8.223 2.798 1.00 0.00 O flip ATOM 1383 ND2 ASN A 86 -3.456 -9.031 4.536 1.00 0.00 N flip ATOM 0 H ASN A 86 -3.258 -7.241 1.062 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.907 -9.789 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.037 -10.878 2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.670 -9.855 2.816 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.746 -9.632 4.955 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.058 -8.461 5.131 1.00 0.00 H new ATOM 1390 N LYS A 87 -4.458 -10.789 0.320 1.00 0.00 N ATOM 1391 CA LYS A 87 -5.777 -11.147 -0.277 1.00 0.00 C ATOM 1392 C LYS A 87 -5.781 -10.884 -1.789 1.00 0.00 C ATOM 1393 O LYS A 87 -4.835 -11.181 -2.494 1.00 0.00 O ATOM 1394 CB LYS A 87 -6.903 -10.324 0.384 1.00 0.00 C ATOM 1395 CG LYS A 87 -8.255 -11.043 0.199 1.00 0.00 C ATOM 1396 CD LYS A 87 -8.476 -12.042 1.338 1.00 0.00 C ATOM 1397 CE LYS A 87 -9.796 -12.783 1.124 1.00 0.00 C ATOM 1398 NZ LYS A 87 -10.926 -11.818 1.221 1.00 0.00 N ATOM 0 H LYS A 87 -3.928 -11.578 0.689 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.948 -12.209 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.694 -10.192 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.946 -9.329 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.065 -10.314 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.272 -11.562 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.651 -12.753 1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.492 -11.520 2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.800 -13.267 0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.910 -13.569 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.813 -12.337 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.758 -11.165 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.997 -11.277 0.336 1.00 0.00 H new ATOM 1412 N ASN A 88 -6.855 -10.335 -2.286 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.956 -10.050 -3.744 1.00 0.00 C ATOM 1414 C ASN A 88 -6.332 -8.681 -4.035 1.00 0.00 C ATOM 1415 O ASN A 88 -6.635 -8.045 -5.027 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.434 -10.050 -4.148 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.998 -11.472 -4.037 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.230 -12.493 -4.310 1.00 0.00 O flip ATOM 1419 ND2 ASN A 88 -10.152 -11.655 -3.701 1.00 0.00 N flip ATOM 0 H ASN A 88 -7.674 -10.070 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.425 -10.812 -4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.997 -9.373 -3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.542 -9.684 -5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.753 -10.859 -3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.519 -12.604 -3.633 1.00 0.00 H new ATOM 1426 N SER A 89 -5.462 -8.221 -3.176 1.00 0.00 N ATOM 1427 CA SER A 89 -4.826 -6.892 -3.404 1.00 0.00 C ATOM 1428 C SER A 89 -4.092 -6.896 -4.745 1.00 0.00 C ATOM 1429 O SER A 89 -3.487 -7.877 -5.134 1.00 0.00 O ATOM 1430 CB SER A 89 -3.830 -6.610 -2.284 1.00 0.00 C ATOM 1431 OG SER A 89 -3.137 -5.400 -2.561 1.00 0.00 O ATOM 0 H SER A 89 -5.165 -8.706 -2.329 1.00 0.00 H new ATOM 0 HA SER A 89 -5.595 -6.120 -3.415 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.351 -6.533 -1.330 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.123 -7.435 -2.195 1.00 0.00 H new ATOM 0 HG SER A 89 -3.762 -4.743 -2.933 1.00 0.00 H new ATOM 1437 N SER A 90 -4.148 -5.799 -5.457 1.00 0.00 N ATOM 1438 CA SER A 90 -3.466 -5.710 -6.785 1.00 0.00 C ATOM 1439 C SER A 90 -2.566 -4.481 -6.808 1.00 0.00 C ATOM 1440 O SER A 90 -2.807 -3.504 -6.120 1.00 0.00 O ATOM 1441 CB SER A 90 -4.521 -5.584 -7.881 1.00 0.00 C ATOM 1442 OG SER A 90 -5.252 -6.801 -7.967 1.00 0.00 O ATOM 0 H SER A 90 -4.642 -4.953 -5.173 1.00 0.00 H new ATOM 0 HA SER A 90 -2.866 -6.605 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.195 -4.756 -7.661 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.046 -5.363 -8.837 1.00 0.00 H new ATOM 0 HG SER A 90 -5.932 -6.725 -8.668 1.00 0.00 H new ATOM 1448 N ILE A 91 -1.521 -4.528 -7.592 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.576 -3.375 -7.678 1.00 0.00 C ATOM 1450 C ILE A 91 -0.379 -2.991 -9.141 1.00 0.00 C ATOM 1451 O ILE A 91 -0.133 -3.830 -9.989 1.00 0.00 O ATOM 1452 CB ILE A 91 0.767 -3.773 -7.077 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.577 -4.076 -5.589 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.756 -2.620 -7.247 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.850 -4.701 -5.020 1.00 0.00 C ATOM 0 H ILE A 91 -1.279 -5.324 -8.182 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.985 -2.528 -7.128 1.00 0.00 H new ATOM 0 HB ILE A 91 1.155 -4.658 -7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.339 -3.159 -5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.265 -4.755 -5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.718 -2.900 -6.819 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.881 -2.401 -8.307 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.375 -1.736 -6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.708 -4.914 -3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.069 -5.628 -5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.682 -4.007 -5.142 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.486 -1.724 -9.444 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.308 -1.260 -10.852 1.00 0.00 C ATOM 1469 C GLU A 92 0.641 -0.062 -10.873 1.00 0.00 C ATOM 1470 O GLU A 92 0.502 0.874 -10.110 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.662 -0.854 -11.426 1.00 0.00 C ATOM 1472 CG GLU A 92 -1.487 -0.419 -12.882 1.00 0.00 C ATOM 1473 CD GLU A 92 -2.852 -0.103 -13.491 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -3.807 -0.005 -12.737 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -2.919 0.035 -14.700 1.00 0.00 O ATOM 0 H GLU A 92 -0.691 -0.985 -8.771 1.00 0.00 H new ATOM 0 HA GLU A 92 0.112 -2.065 -11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.360 -1.689 -11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.088 -0.039 -10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.842 0.458 -12.935 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.998 -1.209 -13.452 1.00 0.00 H new ATOM 1482 N LYS A 93 1.613 -0.093 -11.743 1.00 0.00 N ATOM 1483 CA LYS A 93 2.584 1.033 -11.818 1.00 0.00 C ATOM 1484 C LYS A 93 1.981 2.203 -12.597 1.00 0.00 C ATOM 1485 O LYS A 93 1.356 2.033 -13.627 1.00 0.00 O ATOM 1486 CB LYS A 93 3.866 0.558 -12.513 1.00 0.00 C ATOM 1487 CG LYS A 93 5.034 1.474 -12.131 1.00 0.00 C ATOM 1488 CD LYS A 93 6.337 0.913 -12.706 1.00 0.00 C ATOM 1489 CE LYS A 93 6.292 0.929 -14.243 1.00 0.00 C ATOM 1490 NZ LYS A 93 5.653 -0.327 -14.726 1.00 0.00 N ATOM 0 H LYS A 93 1.776 -0.851 -12.406 1.00 0.00 H new ATOM 0 HA LYS A 93 2.817 1.367 -10.807 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.088 -0.469 -12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.727 0.562 -13.594 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.860 2.480 -12.513 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.108 1.553 -11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.182 1.504 -12.354 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.491 -0.106 -12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.731 1.795 -14.594 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.300 1.017 -14.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.290 -0.805 -15.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.465 -0.954 -13.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.757 -0.100 -15.203 1.00 0.00 H new ATOM 1504 N LEU A 94 2.167 3.397 -12.103 1.00 0.00 N ATOM 1505 CA LEU A 94 1.611 4.596 -12.793 1.00 0.00 C ATOM 1506 C LEU A 94 2.702 5.257 -13.642 1.00 0.00 C ATOM 1507 O LEU A 94 3.812 5.475 -13.198 1.00 0.00 O ATOM 1508 CB LEU A 94 1.109 5.579 -11.736 1.00 0.00 C ATOM 1509 CG LEU A 94 0.107 4.864 -10.819 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -0.376 5.835 -9.737 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -1.092 4.359 -11.642 1.00 0.00 C ATOM 0 H LEU A 94 2.683 3.594 -11.246 1.00 0.00 H new ATOM 0 HA LEU A 94 0.789 4.302 -13.446 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.946 5.962 -11.152 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.635 6.436 -12.215 1.00 0.00 H new ATOM 0 HG LEU A 94 0.595 4.011 -10.348 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.088 5.329 -9.085 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.475 6.177 -9.149 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.860 6.691 -10.206 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.798 3.853 -10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.585 5.204 -12.122 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.743 3.662 -12.404 1.00 0.00 H new ATOM 1523 N SER A 95 2.382 5.579 -14.866 1.00 0.00 N ATOM 1524 CA SER A 95 3.378 6.233 -15.760 1.00 0.00 C ATOM 1525 C SER A 95 3.534 7.700 -15.357 1.00 0.00 C ATOM 1526 O SER A 95 4.243 8.459 -15.989 1.00 0.00 O ATOM 1527 CB SER A 95 2.887 6.146 -17.204 1.00 0.00 C ATOM 1528 OG SER A 95 3.753 6.895 -18.045 1.00 0.00 O ATOM 0 H SER A 95 1.467 5.416 -15.287 1.00 0.00 H new ATOM 0 HA SER A 95 4.341 5.731 -15.672 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.859 5.106 -17.528 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.870 6.530 -17.277 1.00 0.00 H new ATOM 0 HG SER A 95 4.309 7.487 -17.497 1.00 0.00 H new ATOM 1534 N GLU A 96 2.869 8.104 -14.302 1.00 0.00 N ATOM 1535 CA GLU A 96 2.968 9.519 -13.829 1.00 0.00 C ATOM 1536 C GLU A 96 3.555 9.524 -12.410 1.00 0.00 C ATOM 1537 O GLU A 96 2.831 9.453 -11.438 1.00 0.00 O ATOM 1538 CB GLU A 96 1.571 10.141 -13.793 1.00 0.00 C ATOM 1539 CG GLU A 96 1.699 11.643 -13.533 1.00 0.00 C ATOM 1540 CD GLU A 96 0.315 12.294 -13.574 1.00 0.00 C ATOM 1541 OE1 GLU A 96 -0.468 12.030 -12.678 1.00 0.00 O ATOM 1542 OE2 GLU A 96 0.065 13.046 -14.502 1.00 0.00 O ATOM 0 H GLU A 96 2.257 7.508 -13.744 1.00 0.00 H new ATOM 0 HA GLU A 96 3.605 10.092 -14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.057 9.965 -14.738 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.971 9.674 -13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.164 11.815 -12.562 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.347 12.097 -14.282 1.00 0.00 H new ATOM 1549 N PRO A 97 4.861 9.605 -12.288 1.00 0.00 N ATOM 1550 CA PRO A 97 5.552 9.619 -10.962 1.00 0.00 C ATOM 1551 C PRO A 97 5.047 10.745 -10.052 1.00 0.00 C ATOM 1552 O PRO A 97 4.659 11.807 -10.505 1.00 0.00 O ATOM 1553 CB PRO A 97 7.038 9.816 -11.317 1.00 0.00 C ATOM 1554 CG PRO A 97 7.159 9.345 -12.730 1.00 0.00 C ATOM 1555 CD PRO A 97 5.826 9.679 -13.396 1.00 0.00 C ATOM 0 HA PRO A 97 5.366 8.704 -10.400 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.332 10.861 -11.222 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.683 9.242 -10.652 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.985 9.842 -13.238 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.358 8.274 -12.769 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.841 10.670 -13.850 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.584 8.970 -14.187 1.00 0.00 H new ATOM 1563 N ILE A 98 5.036 10.511 -8.768 1.00 0.00 N ATOM 1564 CA ILE A 98 4.543 11.547 -7.814 1.00 0.00 C ATOM 1565 C ILE A 98 5.727 12.323 -7.231 1.00 0.00 C ATOM 1566 O ILE A 98 6.664 11.759 -6.697 1.00 0.00 O ATOM 1567 CB ILE A 98 3.766 10.854 -6.698 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.571 10.118 -7.314 1.00 0.00 C ATOM 1569 CG2 ILE A 98 3.265 11.892 -5.695 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.910 9.227 -6.262 1.00 0.00 C ATOM 0 H ILE A 98 5.349 9.642 -8.336 1.00 0.00 H new ATOM 0 HA ILE A 98 3.891 12.250 -8.332 1.00 0.00 H new ATOM 0 HB ILE A 98 4.414 10.146 -6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.849 10.838 -7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.901 9.514 -8.159 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.711 11.392 -4.900 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.115 12.423 -5.266 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.611 12.602 -6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.062 8.707 -6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.633 8.497 -5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.564 9.841 -5.431 1.00 0.00 H new ATOM 1582 N GLU A 99 5.688 13.623 -7.347 1.00 0.00 N ATOM 1583 CA GLU A 99 6.798 14.470 -6.825 1.00 0.00 C ATOM 1584 C GLU A 99 6.513 14.871 -5.374 1.00 0.00 C ATOM 1585 O GLU A 99 5.489 15.453 -5.066 1.00 0.00 O ATOM 1586 CB GLU A 99 6.907 15.727 -7.691 1.00 0.00 C ATOM 1587 CG GLU A 99 8.077 16.588 -7.211 1.00 0.00 C ATOM 1588 CD GLU A 99 8.235 17.800 -8.132 1.00 0.00 C ATOM 1589 OE1 GLU A 99 7.655 17.786 -9.205 1.00 0.00 O ATOM 1590 OE2 GLU A 99 8.939 18.722 -7.750 1.00 0.00 O ATOM 0 H GLU A 99 4.926 14.139 -7.786 1.00 0.00 H new ATOM 0 HA GLU A 99 7.733 13.910 -6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.053 15.449 -8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.979 16.297 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.903 16.917 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.995 16.001 -7.205 1.00 0.00 H new ATOM 1597 N VAL A 100 7.422 14.568 -4.482 1.00 0.00 N ATOM 1598 CA VAL A 100 7.240 14.928 -3.040 1.00 0.00 C ATOM 1599 C VAL A 100 8.185 16.083 -2.694 1.00 0.00 C ATOM 1600 O VAL A 100 8.053 16.729 -1.671 1.00 0.00 O ATOM 1601 CB VAL A 100 7.591 13.719 -2.174 1.00 0.00 C ATOM 1602 CG1 VAL A 100 7.405 14.076 -0.698 1.00 0.00 C ATOM 1603 CG2 VAL A 100 6.680 12.543 -2.534 1.00 0.00 C ATOM 0 H VAL A 100 8.293 14.081 -4.693 1.00 0.00 H new ATOM 0 HA VAL A 100 6.207 15.224 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 100 8.629 13.438 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.655 13.213 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.059 14.909 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.368 14.360 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.934 11.683 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.641 12.821 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.816 12.286 -3.584 1.00 0.00 H new ATOM 1613 N GLY A 101 9.140 16.349 -3.546 1.00 0.00 N ATOM 1614 CA GLY A 101 10.097 17.462 -3.273 1.00 0.00 C ATOM 1615 C GLY A 101 9.407 18.806 -3.528 1.00 0.00 C ATOM 1616 O GLY A 101 9.874 19.622 -4.298 1.00 0.00 O ATOM 0 H GLY A 101 9.299 15.844 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.446 17.411 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.975 17.365 -3.912 1.00 0.00 H new ATOM 1620 N LEU A 102 8.298 19.041 -2.885 1.00 0.00 N ATOM 1621 CA LEU A 102 7.574 20.332 -3.079 1.00 0.00 C ATOM 1622 C LEU A 102 8.124 21.357 -2.079 1.00 0.00 C ATOM 1623 O LEU A 102 7.718 22.503 -2.049 1.00 0.00 O ATOM 1624 CB LEU A 102 6.077 20.109 -2.825 1.00 0.00 C ATOM 1625 CG LEU A 102 5.544 19.008 -3.758 1.00 0.00 C ATOM 1626 CD1 LEU A 102 4.053 18.774 -3.479 1.00 0.00 C ATOM 1627 CD2 LEU A 102 5.736 19.422 -5.228 1.00 0.00 C ATOM 0 H LEU A 102 7.859 18.393 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 102 7.716 20.699 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.914 19.826 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.529 21.036 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 102 6.097 18.087 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.677 17.994 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.921 18.465 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.501 19.697 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 102 5.355 18.636 -5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.192 20.347 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.796 19.577 -5.427 1.00 0.00 H new ATOM 1639 N GLU A 103 9.050 20.944 -1.252 1.00 0.00 N ATOM 1640 CA GLU A 103 9.627 21.881 -0.242 1.00 0.00 C ATOM 1641 C GLU A 103 10.225 23.108 -0.934 1.00 0.00 C ATOM 1642 O GLU A 103 10.898 23.009 -1.941 1.00 0.00 O ATOM 1643 CB GLU A 103 10.717 21.165 0.561 1.00 0.00 C ATOM 1644 CG GLU A 103 10.071 20.082 1.426 1.00 0.00 C ATOM 1645 CD GLU A 103 11.149 19.309 2.189 1.00 0.00 C ATOM 1646 OE1 GLU A 103 12.311 19.648 2.042 1.00 0.00 O ATOM 1647 OE2 GLU A 103 10.791 18.393 2.911 1.00 0.00 O ATOM 0 H GLU A 103 9.431 19.998 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 103 8.832 22.206 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.450 20.721 -0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.252 21.878 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.371 20.535 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.497 19.399 0.800 1.00 0.00 H new ATOM 1654 N HIS A 104 9.985 24.269 -0.388 1.00 0.00 N ATOM 1655 CA HIS A 104 10.532 25.517 -0.992 1.00 0.00 C ATOM 1656 C HIS A 104 10.868 26.503 0.127 1.00 0.00 C ATOM 1657 O HIS A 104 10.202 26.551 1.143 1.00 0.00 O ATOM 1658 CB HIS A 104 9.494 26.135 -1.923 1.00 0.00 C ATOM 1659 CG HIS A 104 10.129 27.258 -2.694 1.00 0.00 C ATOM 1660 ND1 HIS A 104 10.210 28.546 -2.191 1.00 0.00 N ATOM 1661 CD2 HIS A 104 10.721 27.300 -3.931 1.00 0.00 C ATOM 1662 CE1 HIS A 104 10.830 29.303 -3.113 1.00 0.00 C ATOM 1663 NE2 HIS A 104 11.163 28.593 -4.194 1.00 0.00 N ATOM 0 H HIS A 104 9.430 24.407 0.456 1.00 0.00 H new ATOM 0 HA HIS A 104 11.431 25.286 -1.564 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.107 25.381 -2.608 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.647 26.507 -1.347 1.00 0.00 H new ATOM 0 HD1 HIS A 104 9.862 28.863 -1.286 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.828 26.458 -4.599 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.034 30.357 -2.994 1.00 0.00 H new ATOM 1671 N HIS A 105 11.913 27.276 -0.044 1.00 0.00 N ATOM 1672 CA HIS A 105 12.328 28.254 1.012 1.00 0.00 C ATOM 1673 C HIS A 105 12.160 29.690 0.515 1.00 0.00 C ATOM 1674 O HIS A 105 11.462 29.960 -0.444 1.00 0.00 O ATOM 1675 CB HIS A 105 13.798 28.013 1.349 1.00 0.00 C ATOM 1676 CG HIS A 105 13.971 26.594 1.813 1.00 0.00 C ATOM 1677 ND1 HIS A 105 13.574 26.176 3.071 1.00 0.00 N ATOM 1678 CD2 HIS A 105 14.494 25.485 1.196 1.00 0.00 C ATOM 1679 CE1 HIS A 105 13.859 24.865 3.172 1.00 0.00 C ATOM 1680 NE2 HIS A 105 14.421 24.393 2.056 1.00 0.00 N ATOM 0 H HIS A 105 12.502 27.272 -0.877 1.00 0.00 H new ATOM 0 HA HIS A 105 11.702 28.114 1.893 1.00 0.00 H new ATOM 0 HB2 HIS A 105 14.420 28.201 0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.124 28.705 2.126 1.00 0.00 H new ATOM 0 HD2 HIS A 105 14.900 25.463 0.196 1.00 0.00 H new ATOM 0 HE1 HIS A 105 13.658 24.267 4.049 1.00 0.00 H new ATOM 0 HE2 HIS A 105 14.730 23.438 1.873 1.00 0.00 H new ATOM 1688 N HIS A 106 12.793 30.616 1.183 1.00 0.00 N ATOM 1689 CA HIS A 106 12.678 32.048 0.789 1.00 0.00 C ATOM 1690 C HIS A 106 13.394 32.310 -0.542 1.00 0.00 C ATOM 1691 O HIS A 106 14.467 31.801 -0.806 1.00 0.00 O ATOM 1692 CB HIS A 106 13.287 32.920 1.893 1.00 0.00 C ATOM 1693 CG HIS A 106 14.751 32.607 2.062 1.00 0.00 C ATOM 1694 ND1 HIS A 106 15.200 31.596 2.900 1.00 0.00 N ATOM 1695 CD2 HIS A 106 15.879 33.178 1.528 1.00 0.00 C ATOM 1696 CE1 HIS A 106 16.545 31.591 2.845 1.00 0.00 C ATOM 1697 NE2 HIS A 106 17.011 32.535 2.023 1.00 0.00 N ATOM 0 H HIS A 106 13.390 30.439 1.991 1.00 0.00 H new ATOM 0 HA HIS A 106 11.625 32.296 0.658 1.00 0.00 H new ATOM 0 HB2 HIS A 106 13.160 33.974 1.644 1.00 0.00 H new ATOM 0 HB3 HIS A 106 12.761 32.749 2.832 1.00 0.00 H new ATOM 0 HD2 HIS A 106 15.888 34.002 0.829 1.00 0.00 H new ATOM 0 HE1 HIS A 106 17.171 30.907 3.398 1.00 0.00 H new ATOM 0 HE2 HIS A 106 17.986 32.741 1.805 1.00 0.00 H new ATOM 1705 N HIS A 107 12.796 33.115 -1.380 1.00 0.00 N ATOM 1706 CA HIS A 107 13.417 33.437 -2.695 1.00 0.00 C ATOM 1707 C HIS A 107 14.690 34.261 -2.468 1.00 0.00 C ATOM 1708 O HIS A 107 15.705 34.049 -3.101 1.00 0.00 O ATOM 1709 CB HIS A 107 12.423 34.256 -3.520 1.00 0.00 C ATOM 1710 CG HIS A 107 11.228 33.406 -3.856 1.00 0.00 C ATOM 1711 ND1 HIS A 107 10.099 33.365 -3.051 1.00 0.00 N ATOM 1712 CD2 HIS A 107 10.970 32.557 -4.904 1.00 0.00 C ATOM 1713 CE1 HIS A 107 9.224 32.517 -3.622 1.00 0.00 C ATOM 1714 NE2 HIS A 107 9.705 31.996 -4.754 1.00 0.00 N ATOM 0 H HIS A 107 11.897 33.566 -1.207 1.00 0.00 H new ATOM 0 HA HIS A 107 13.671 32.518 -3.223 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.110 35.138 -2.961 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.899 34.611 -4.434 1.00 0.00 H new ATOM 0 HD2 HIS A 107 11.647 32.355 -5.721 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.251 32.286 -3.214 1.00 0.00 H new ATOM 0 HE2 HIS A 107 9.245 31.330 -5.375 1.00 0.00 H new ATOM 1722 N HIS A 108 14.641 35.202 -1.564 1.00 0.00 N ATOM 1723 CA HIS A 108 15.847 36.040 -1.296 1.00 0.00 C ATOM 1724 C HIS A 108 15.785 36.604 0.127 1.00 0.00 C ATOM 1725 O HIS A 108 14.756 36.588 0.774 1.00 0.00 O ATOM 1726 CB HIS A 108 15.913 37.197 -2.297 1.00 0.00 C ATOM 1727 CG HIS A 108 14.673 38.040 -2.186 1.00 0.00 C ATOM 1728 ND1 HIS A 108 14.200 38.510 -0.970 1.00 0.00 N ATOM 1729 CD2 HIS A 108 13.801 38.511 -3.134 1.00 0.00 C ATOM 1730 CE1 HIS A 108 13.089 39.229 -1.218 1.00 0.00 C ATOM 1731 NE2 HIS A 108 12.801 39.262 -2.522 1.00 0.00 N ATOM 0 H HIS A 108 13.821 35.427 -1.001 1.00 0.00 H new ATOM 0 HA HIS A 108 16.736 35.419 -1.402 1.00 0.00 H new ATOM 0 HB2 HIS A 108 16.796 37.806 -2.104 1.00 0.00 H new ATOM 0 HB3 HIS A 108 16.009 36.808 -3.311 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.878 38.327 -4.195 1.00 0.00 H new ATOM 0 HE1 HIS A 108 12.502 39.719 -0.455 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.018 39.735 -2.972 1.00 0.00 H new ATOM 1739 N HIS A 109 16.887 37.104 0.616 1.00 0.00 N ATOM 1740 CA HIS A 109 16.915 37.676 1.994 1.00 0.00 C ATOM 1741 C HIS A 109 16.163 39.010 2.023 1.00 0.00 C ATOM 1742 O HIS A 109 16.494 39.871 1.227 1.00 0.00 O ATOM 1743 CB HIS A 109 18.370 37.903 2.402 1.00 0.00 C ATOM 1744 CG HIS A 109 18.425 38.519 3.772 1.00 0.00 C ATOM 1745 ND1 HIS A 109 18.349 39.888 3.971 1.00 0.00 N ATOM 1746 CD2 HIS A 109 18.546 37.963 5.022 1.00 0.00 C ATOM 1747 CE1 HIS A 109 18.425 40.110 5.296 1.00 0.00 C ATOM 1748 NE2 HIS A 109 18.547 38.970 5.982 1.00 0.00 N ATOM 1749 OXT HIS A 109 15.271 39.150 2.847 1.00 0.00 O ATOM 0 H HIS A 109 17.776 37.141 0.117 1.00 0.00 H new ATOM 0 HA HIS A 109 16.434 36.985 2.686 1.00 0.00 H new ATOM 0 HB2 HIS A 109 18.910 36.956 2.397 1.00 0.00 H new ATOM 0 HB3 HIS A 109 18.862 38.555 1.680 1.00 0.00 H new ATOM 0 HD2 HIS A 109 18.628 36.906 5.228 1.00 0.00 H new ATOM 0 HE1 HIS A 109 18.391 41.090 5.749 1.00 0.00 H new ATOM 0 HE2 HIS A 109 18.624 38.861 6.993 1.00 0.00 H new TER 1757 HIS A 109