USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 873 hydrogens (32 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 NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 102 THR OG1 : rot -167:sc= -0.89! USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= -4.39! C(o=-6.6!,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0721) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.728 F(o=-5!,f=-0.73) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= -5.09! (180deg=-6.14!) USER MOD Single : A 16 GLN : amide:sc= -0.689 X(o=-0.69,f=-0.38) USER MOD Single : A 18 HIS : no HE2:sc= -12.6! C(o=-13!,f=-16!) USER MOD Single : A 19 THR OG1 : rot -132:sc= -5.05! USER MOD Single : A 22 LYS NZ :NH3+ -126:sc= -3.54! (180deg=-8.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.0976 K(o=0.098,f=-3.1!) USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= -0.139 (180deg=-0.894) USER MOD Single : A 28 THR OG1 : rot 92:sc= 0.0264 USER MOD Single : A 31 ASN : amide:sc= -5.42! C(o=-5.4!,f=-12!) USER MOD Single : A 33 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.096) USER MOD Single : A 39 LYS NZ :NH3+ 139:sc= -4.61! (180deg=-8.74!) USER MOD Single : A 40 THR OG1 : rot 45:sc= -4.11! USER MOD Single : A 42 GLN : amide:sc= -15.5! C(o=-15!,f=-18!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00987 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.821 F(o=-2.1!,f=-0.82) USER MOD Single : A 53 LYS NZ :NH3+ -119:sc= -3.08! (180deg=-8.17!) USER MOD Single : A 54 ASN :FLIP amide:sc= -3.89! C(o=-9.2!,f=-3.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 61:sc= 0.0752! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 171:sc= -6.67! (180deg=-6.9!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc=-0.00475 (180deg=-0.00475) USER MOD Single : A 73 LYS NZ :NH3+ 136:sc= -0.548 (180deg=-1.28) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -90:sc= -1.14 USER MOD Single : A 79 LYS NZ :NH3+ 151:sc=-0.00891 (180deg=-0.0853) USER MOD Single : A 80 MET CE :methyl 148:sc= -1.07! (180deg=-3.01!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= -0.208 (180deg=-0.826) USER MOD Single : A 88 LYS NZ :NH3+ -110:sc= -5.46! (180deg=-9.29!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -126:sc= -10.8! (180deg=-14.2!) USER MOD Single : A 100 LYS NZ :NH3+ 136:sc= -3.41! (180deg=-6.07!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.505 4.397 -1.253 1.00 0.00 N ATOM 2 CA GLY A 1 -17.153 4.454 -0.674 1.00 0.00 C ATOM 3 C GLY A 1 -16.607 5.846 -0.447 1.00 0.00 C ATOM 4 O GLY A 1 -16.517 6.589 -1.417 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.791 3.404 -1.370 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.175 4.877 -0.619 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.506 4.869 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.161 3.924 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.470 3.916 -1.332 1.00 0.00 H new ATOM 10 N ASP A 2 -16.286 6.064 0.821 1.00 0.00 N ATOM 11 CA ASP A 2 -15.748 7.387 1.143 1.00 0.00 C ATOM 12 C ASP A 2 -14.306 7.335 1.661 1.00 0.00 C ATOM 13 O ASP A 2 -13.890 6.297 2.138 1.00 0.00 O ATOM 14 CB ASP A 2 -16.664 8.060 2.194 1.00 0.00 C ATOM 15 CG ASP A 2 -18.112 7.851 1.919 1.00 0.00 C ATOM 16 OD1 ASP A 2 -18.452 7.490 0.795 1.00 0.00 O ATOM 17 OD2 ASP A 2 -18.961 8.058 2.893 1.00 0.00 O ATOM 0 H ASP A 2 -16.376 5.403 1.593 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.726 7.969 0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.426 7.665 3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.455 9.129 2.219 1.00 0.00 H new ATOM 22 N VAL A 3 -13.617 8.439 1.512 1.00 0.00 N ATOM 23 CA VAL A 3 -12.194 8.518 1.972 1.00 0.00 C ATOM 24 C VAL A 3 -12.104 8.232 3.583 1.00 0.00 C ATOM 25 O VAL A 3 -11.244 7.506 4.036 1.00 0.00 O ATOM 26 CB VAL A 3 -11.553 9.861 1.657 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.524 10.214 2.692 1.00 0.00 C ATOM 28 CG2 VAL A 3 -10.929 9.819 0.270 1.00 0.00 C ATOM 0 H VAL A 3 -13.980 9.294 1.090 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.642 7.754 1.425 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.323 10.632 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.078 11.178 2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.998 10.272 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.748 9.449 2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.471 10.783 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.168 9.039 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.700 9.605 -0.470 1.00 0.00 H new ATOM 38 N GLU A 4 -13.020 8.841 4.308 1.00 0.00 N ATOM 39 CA GLU A 4 -13.040 8.657 5.773 1.00 0.00 C ATOM 40 C GLU A 4 -13.171 7.190 6.170 1.00 0.00 C ATOM 41 O GLU A 4 -12.439 6.744 7.027 1.00 0.00 O ATOM 42 CB GLU A 4 -14.212 9.499 6.392 1.00 0.00 C ATOM 43 CG GLU A 4 -14.365 9.295 7.851 1.00 0.00 C ATOM 44 CD GLU A 4 -15.677 9.770 8.396 1.00 0.00 C ATOM 45 OE1 GLU A 4 -16.489 8.958 8.869 1.00 0.00 O ATOM 46 OE2 GLU A 4 -15.932 11.002 8.275 1.00 0.00 O ATOM 0 H GLU A 4 -13.746 9.453 3.936 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.086 9.008 6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.035 10.556 6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.145 9.234 5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.253 8.234 8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.558 9.815 8.367 1.00 0.00 H new ATOM 53 N LYS A 5 -14.121 6.515 5.502 1.00 0.00 N ATOM 54 CA LYS A 5 -14.347 5.095 5.783 1.00 0.00 C ATOM 55 C LYS A 5 -13.127 4.253 5.433 1.00 0.00 C ATOM 56 O LYS A 5 -12.765 3.328 6.143 1.00 0.00 O ATOM 57 CB LYS A 5 -15.569 4.615 5.036 1.00 0.00 C ATOM 58 CG LYS A 5 -16.823 5.436 5.290 1.00 0.00 C ATOM 59 CD LYS A 5 -18.017 4.502 5.521 1.00 0.00 C ATOM 60 CE LYS A 5 -18.865 4.455 4.255 1.00 0.00 C ATOM 61 NZ LYS A 5 -18.977 3.031 3.738 1.00 0.00 N ATOM 0 H LYS A 5 -14.726 6.917 4.786 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.518 4.980 6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.354 4.624 3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.765 3.579 5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.679 6.078 6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.020 6.089 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.668 3.502 5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.615 4.856 6.361 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.859 4.852 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.421 5.091 3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.558 3.019 2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.028 2.665 3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.422 2.432 4.463 1.00 0.00 H new ATOM 75 N GLY A 6 -12.480 4.661 4.314 1.00 0.00 N ATOM 76 CA GLY A 6 -11.307 3.930 3.890 1.00 0.00 C ATOM 77 C GLY A 6 -10.101 3.969 4.855 1.00 0.00 C ATOM 78 O GLY A 6 -9.443 3.003 5.104 1.00 0.00 O ATOM 0 H GLY A 6 -12.748 5.453 3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.589 2.889 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.988 4.322 2.924 1.00 0.00 H new ATOM 82 N LYS A 7 -9.903 5.180 5.382 1.00 0.00 N ATOM 83 CA LYS A 7 -8.824 5.398 6.326 1.00 0.00 C ATOM 84 C LYS A 7 -8.945 4.458 7.524 1.00 0.00 C ATOM 85 O LYS A 7 -7.959 3.859 7.926 1.00 0.00 O ATOM 86 CB LYS A 7 -8.810 6.854 6.799 1.00 0.00 C ATOM 87 CG LYS A 7 -8.143 7.045 8.093 1.00 0.00 C ATOM 88 CD LYS A 7 -9.083 7.526 9.184 1.00 0.00 C ATOM 89 CE LYS A 7 -8.517 8.718 9.940 1.00 0.00 C ATOM 90 NZ LYS A 7 -9.094 10.027 9.392 1.00 0.00 N ATOM 0 H LYS A 7 -10.467 6.004 5.172 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.885 5.184 5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.311 7.466 6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.836 7.213 6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.688 6.104 8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.334 7.766 7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.041 7.799 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.274 6.711 9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.751 8.627 11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.431 8.728 9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.696 10.830 9.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.850 10.120 8.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.129 10.022 9.498 1.00 0.00 H new ATOM 104 N LYS A 8 -10.201 4.395 8.111 1.00 0.00 N ATOM 105 CA LYS A 8 -10.472 3.546 9.237 1.00 0.00 C ATOM 106 C LYS A 8 -10.293 2.064 8.936 1.00 0.00 C ATOM 107 O LYS A 8 -9.746 1.321 9.717 1.00 0.00 O ATOM 108 CB LYS A 8 -11.900 3.783 9.773 1.00 0.00 C ATOM 109 CG LYS A 8 -12.470 2.612 10.505 1.00 0.00 C ATOM 110 CD LYS A 8 -13.131 1.590 9.589 1.00 0.00 C ATOM 111 CE LYS A 8 -14.308 2.175 8.857 1.00 0.00 C ATOM 112 NZ LYS A 8 -15.415 2.563 9.729 1.00 0.00 N ATOM 0 H LYS A 8 -11.004 4.936 7.791 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.735 3.818 9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.890 4.646 10.439 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.555 4.032 8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.675 2.123 11.069 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.203 2.967 11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.401 1.222 8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.458 0.733 10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.977 3.049 8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.669 1.448 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.231 2.845 9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.680 1.758 10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.122 3.362 10.327 1.00 0.00 H new ATOM 126 N ILE A 9 -10.718 1.687 7.757 1.00 0.00 N ATOM 127 CA ILE A 9 -10.608 0.284 7.311 1.00 0.00 C ATOM 128 C ILE A 9 -9.106 -0.106 7.215 1.00 0.00 C ATOM 129 O ILE A 9 -8.730 -1.185 7.831 1.00 0.00 O ATOM 130 CB ILE A 9 -11.190 0.080 5.920 1.00 0.00 C ATOM 131 CG1 ILE A 9 -12.654 -0.398 6.098 1.00 0.00 C ATOM 132 CG2 ILE A 9 -10.407 -0.982 5.119 1.00 0.00 C ATOM 133 CD1 ILE A 9 -13.367 -0.561 4.770 1.00 0.00 C ATOM 0 H ILE A 9 -11.145 2.315 7.076 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.154 -0.322 8.034 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.131 1.017 5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.662 -1.348 6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.196 0.319 6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.855 -1.097 4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.370 -0.665 5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.442 -1.935 5.647 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.389 -0.897 4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.384 0.395 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.841 -1.298 4.163 1.00 0.00 H new ATOM 145 N PHE A 10 -8.293 0.763 6.620 1.00 0.00 N ATOM 146 CA PHE A 10 -6.872 0.511 6.515 1.00 0.00 C ATOM 147 C PHE A 10 -6.150 0.496 7.856 1.00 0.00 C ATOM 148 O PHE A 10 -5.243 -0.268 8.089 1.00 0.00 O ATOM 149 CB PHE A 10 -6.224 1.583 5.633 1.00 0.00 C ATOM 150 CG PHE A 10 -4.722 1.778 5.860 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.787 1.274 4.993 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.281 2.446 6.991 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.427 1.486 5.209 1.00 0.00 C ATOM 154 CE2 PHE A 10 -2.988 2.632 7.224 1.00 0.00 C ATOM 155 CZ PHE A 10 -2.036 2.120 6.353 1.00 0.00 C ATOM 0 H PHE A 10 -8.600 1.644 6.206 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.774 -0.484 6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.389 1.322 4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.730 2.532 5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.109 0.706 4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.005 2.823 7.698 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.696 1.155 4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.674 3.185 8.097 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.985 2.223 6.581 1.00 0.00 H new ATOM 165 N VAL A 11 -6.645 1.446 8.597 1.00 0.00 N ATOM 166 CA VAL A 11 -5.916 1.652 9.838 1.00 0.00 C ATOM 167 C VAL A 11 -5.779 0.442 10.684 1.00 0.00 C ATOM 168 O VAL A 11 -4.693 0.054 11.138 1.00 0.00 O ATOM 169 CB VAL A 11 -6.609 2.789 10.692 1.00 0.00 C ATOM 170 CG1 VAL A 11 -5.930 2.888 12.040 1.00 0.00 C ATOM 171 CG2 VAL A 11 -6.505 4.132 9.944 1.00 0.00 C ATOM 0 H VAL A 11 -7.455 2.036 8.408 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.909 1.936 9.533 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.662 2.548 10.840 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.406 3.671 12.630 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.018 1.935 12.562 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.876 3.129 11.900 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.983 4.915 10.533 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.455 4.383 9.791 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.003 4.050 8.978 1.00 0.00 H new ATOM 181 N GLN A 12 -6.905 -0.292 11.018 1.00 0.00 N ATOM 182 CA GLN A 12 -6.885 -1.553 11.790 1.00 0.00 C ATOM 183 C GLN A 12 -6.516 -2.720 10.871 1.00 0.00 C ATOM 184 O GLN A 12 -5.507 -3.410 11.066 1.00 0.00 O ATOM 185 CB GLN A 12 -8.210 -1.804 12.464 1.00 0.00 C ATOM 186 CG GLN A 12 -9.391 -1.601 11.552 1.00 0.00 C ATOM 187 CD GLN A 12 -10.058 -2.939 11.168 1.00 0.00 C ATOM 188 OE1 GLN A 12 -9.261 -3.975 11.113 1.00 0.00 O flip ATOM 189 NE2 GLN A 12 -11.265 -2.986 10.926 1.00 0.00 N flip ATOM 0 H GLN A 12 -7.846 -0.005 10.747 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.131 -1.465 12.572 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.227 -2.824 12.847 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.305 -1.139 13.323 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.122 -0.958 12.042 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.067 -1.084 10.649 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.831 -2.140 10.987 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.699 -3.871 10.664 1.00 0.00 H new ATOM 198 N LYS A 13 -7.191 -2.704 9.812 1.00 0.00 N ATOM 199 CA LYS A 13 -6.916 -3.409 8.604 1.00 0.00 C ATOM 200 C LYS A 13 -5.567 -4.109 8.601 1.00 0.00 C ATOM 201 O LYS A 13 -5.499 -5.361 8.348 1.00 0.00 O ATOM 202 CB LYS A 13 -7.001 -2.562 7.391 1.00 0.00 C ATOM 203 CG LYS A 13 -6.321 -3.086 6.133 1.00 0.00 C ATOM 204 CD LYS A 13 -7.094 -4.194 5.473 1.00 0.00 C ATOM 205 CE LYS A 13 -7.322 -3.952 4.015 1.00 0.00 C ATOM 206 NZ LYS A 13 -8.707 -4.312 3.604 1.00 0.00 N ATOM 0 H LYS A 13 -8.042 -2.146 9.739 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.706 -4.159 8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.055 -2.400 7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.572 -1.588 7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.194 -2.266 5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.324 -3.446 6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.555 -5.133 5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.056 -4.308 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.137 -2.902 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.607 -4.535 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.909 -3.903 2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.797 -5.347 3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.384 -3.938 4.300 1.00 0.00 H new ATOM 220 N CYS A 14 -4.467 -3.189 8.766 1.00 0.00 N ATOM 221 CA CYS A 14 -3.095 -3.674 8.765 1.00 0.00 C ATOM 222 C CYS A 14 -2.066 -2.657 9.016 1.00 0.00 C ATOM 223 O CYS A 14 -0.906 -2.686 8.738 1.00 0.00 O ATOM 224 CB CYS A 14 -2.652 -4.579 7.514 1.00 0.00 C ATOM 225 SG CYS A 14 -3.236 -4.009 5.801 1.00 0.00 S ATOM 0 H CYS A 14 -4.568 -2.182 8.889 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.143 -4.334 9.631 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.563 -4.633 7.502 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.020 -5.592 7.679 1.00 0.00 H new ATOM 230 N ALA A 15 -2.618 -1.360 9.346 1.00 0.00 N ATOM 231 CA ALA A 15 -1.776 -0.189 9.554 1.00 0.00 C ATOM 232 C ALA A 15 -0.637 -0.546 10.596 1.00 0.00 C ATOM 233 O ALA A 15 0.452 0.086 10.405 1.00 0.00 O ATOM 234 CB ALA A 15 -2.603 0.970 10.086 1.00 0.00 C ATOM 0 H ALA A 15 -3.616 -1.181 9.453 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.333 0.104 8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.960 1.837 10.236 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.385 1.218 9.369 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.058 0.687 11.035 1.00 0.00 H new ATOM 240 N GLN A 16 -0.680 -1.670 11.461 1.00 0.00 N ATOM 241 CA GLN A 16 0.446 -2.024 12.357 1.00 0.00 C ATOM 242 C GLN A 16 1.713 -2.456 11.533 1.00 0.00 C ATOM 243 O GLN A 16 2.844 -2.143 11.926 1.00 0.00 O ATOM 244 CB GLN A 16 0.058 -3.108 13.300 1.00 0.00 C ATOM 245 CG GLN A 16 -1.483 -3.242 13.453 1.00 0.00 C ATOM 246 CD GLN A 16 -1.904 -4.090 14.679 1.00 0.00 C ATOM 247 OE1 GLN A 16 -2.662 -5.023 14.571 1.00 0.00 O ATOM 248 NE2 GLN A 16 -1.345 -3.701 15.834 1.00 0.00 N ATOM 0 H GLN A 16 -1.477 -2.303 11.525 1.00 0.00 H new ATOM 0 HA GLN A 16 0.696 -1.134 12.934 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.468 -4.055 12.949 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.501 -2.911 14.276 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.921 -2.248 13.540 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.893 -3.693 12.549 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.712 -2.901 15.850 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.553 -4.205 16.696 1.00 0.00 H new ATOM 257 N CYS A 17 1.465 -3.114 10.435 1.00 0.00 N ATOM 258 CA CYS A 17 2.544 -3.589 9.578 1.00 0.00 C ATOM 259 C CYS A 17 3.069 -2.469 8.717 1.00 0.00 C ATOM 260 O CYS A 17 4.187 -2.561 8.243 1.00 0.00 O ATOM 261 CB CYS A 17 2.036 -4.751 8.680 1.00 0.00 C ATOM 262 SG CYS A 17 1.885 -6.381 9.468 1.00 0.00 S ATOM 0 H CYS A 17 0.528 -3.340 10.102 1.00 0.00 H new ATOM 0 HA CYS A 17 3.354 -3.951 10.211 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.060 -4.473 8.283 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.711 -4.845 7.830 1.00 0.00 H new ATOM 267 N HIS A 18 2.281 -1.390 8.573 1.00 0.00 N ATOM 268 CA HIS A 18 2.720 -0.254 7.814 1.00 0.00 C ATOM 269 C HIS A 18 2.905 0.958 8.664 1.00 0.00 C ATOM 270 O HIS A 18 2.896 2.108 8.230 1.00 0.00 O ATOM 271 CB HIS A 18 1.670 0.043 6.703 1.00 0.00 C ATOM 272 CG HIS A 18 1.346 -1.089 5.826 1.00 0.00 C ATOM 273 ND1 HIS A 18 1.451 -1.065 4.440 1.00 0.00 N ATOM 274 CD2 HIS A 18 0.929 -2.385 6.136 1.00 0.00 C ATOM 275 CE1 HIS A 18 1.129 -2.214 3.943 1.00 0.00 C ATOM 276 NE2 HIS A 18 0.845 -3.059 4.923 1.00 0.00 N ATOM 0 H HIS A 18 1.348 -1.300 8.976 1.00 0.00 H new ATOM 0 HA HIS A 18 3.690 -0.494 7.378 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.751 0.388 7.177 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.039 0.864 6.088 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.741 -0.255 3.892 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.715 -2.782 7.117 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.096 -2.449 2.889 1.00 0.00 H new ATOM 284 N THR A 19 3.096 0.698 9.980 1.00 0.00 N ATOM 285 CA THR A 19 3.351 1.794 10.954 1.00 0.00 C ATOM 286 C THR A 19 2.283 2.873 10.821 1.00 0.00 C ATOM 287 O THR A 19 1.594 2.973 9.771 1.00 0.00 O ATOM 288 CB THR A 19 4.743 2.433 10.773 1.00 0.00 C ATOM 289 OG1 THR A 19 5.708 1.399 10.758 1.00 0.00 O ATOM 290 CG2 THR A 19 5.060 3.465 11.776 1.00 0.00 C ATOM 0 H THR A 19 3.080 -0.237 10.387 1.00 0.00 H new ATOM 0 HA THR A 19 3.316 1.348 11.948 1.00 0.00 H new ATOM 0 HB THR A 19 4.749 2.969 9.824 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.441 1.627 11.367 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.055 3.867 11.583 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.326 4.268 11.716 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.034 3.024 12.772 1.00 0.00 H new ATOM 298 N VAL A 20 2.089 3.673 11.852 1.00 0.00 N ATOM 299 CA VAL A 20 1.125 4.702 11.884 1.00 0.00 C ATOM 300 C VAL A 20 1.665 6.021 11.244 1.00 0.00 C ATOM 301 O VAL A 20 2.349 5.961 10.251 1.00 0.00 O ATOM 302 CB VAL A 20 0.597 5.029 13.290 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.754 5.739 13.310 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.569 3.769 14.121 1.00 0.00 C ATOM 0 H VAL A 20 2.631 3.603 12.713 1.00 0.00 H new ATOM 0 HA VAL A 20 0.295 4.305 11.300 1.00 0.00 H new ATOM 0 HB VAL A 20 1.290 5.749 13.724 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.049 5.930 14.342 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.676 6.685 12.773 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.503 5.110 12.829 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.195 3.999 15.119 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.085 3.036 13.648 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.577 3.361 14.197 1.00 0.00 H new ATOM 314 N GLU A 21 1.356 7.158 11.858 1.00 0.00 N ATOM 315 CA GLU A 21 1.841 8.403 11.373 1.00 0.00 C ATOM 316 C GLU A 21 3.366 8.564 11.470 1.00 0.00 C ATOM 317 O GLU A 21 3.974 8.016 12.390 1.00 0.00 O ATOM 318 CB GLU A 21 1.116 9.581 12.157 1.00 0.00 C ATOM 319 CG GLU A 21 0.018 9.086 13.060 1.00 0.00 C ATOM 320 CD GLU A 21 -0.636 10.234 13.802 1.00 0.00 C ATOM 321 OE1 GLU A 21 -1.778 10.073 14.248 1.00 0.00 O ATOM 322 OE2 GLU A 21 -0.002 11.334 13.927 1.00 0.00 O ATOM 0 H GLU A 21 0.771 7.222 12.691 1.00 0.00 H new ATOM 0 HA GLU A 21 1.609 8.439 10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.852 10.124 12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.700 10.288 11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.731 8.556 12.471 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.425 8.371 13.775 1.00 0.00 H new ATOM 329 N LYS A 22 3.931 9.232 10.487 1.00 0.00 N ATOM 330 CA LYS A 22 5.381 9.446 10.480 1.00 0.00 C ATOM 331 C LYS A 22 5.867 9.990 11.836 1.00 0.00 C ATOM 332 O LYS A 22 5.441 11.048 12.298 1.00 0.00 O ATOM 333 CB LYS A 22 5.773 10.360 9.328 1.00 0.00 C ATOM 334 CG LYS A 22 7.265 10.253 8.968 1.00 0.00 C ATOM 335 CD LYS A 22 8.187 10.387 10.147 1.00 0.00 C ATOM 336 CE LYS A 22 7.962 11.669 10.874 1.00 0.00 C ATOM 337 NZ LYS A 22 8.702 11.762 12.168 1.00 0.00 N ATOM 0 H LYS A 22 3.430 9.633 9.694 1.00 0.00 H new ATOM 0 HA LYS A 22 5.875 8.487 10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.173 10.112 8.452 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.540 11.392 9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.444 9.292 8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.509 11.025 8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.033 9.550 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.222 10.336 9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.263 12.498 10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.895 11.785 11.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.035 11.986 12.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.166 10.853 12.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.420 12.511 12.104 1.00 0.00 H new ATOM 351 N GLY A 23 6.787 9.240 12.483 1.00 0.00 N ATOM 352 CA GLY A 23 7.292 9.651 13.720 1.00 0.00 C ATOM 353 C GLY A 23 7.638 8.464 14.679 1.00 0.00 C ATOM 354 O GLY A 23 8.543 8.501 15.437 1.00 0.00 O ATOM 0 H GLY A 23 7.165 8.359 12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.189 10.249 13.557 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.561 10.298 14.205 1.00 0.00 H new ATOM 358 N GLY A 24 6.830 7.415 14.510 1.00 0.00 N ATOM 359 CA GLY A 24 7.048 6.211 15.270 1.00 0.00 C ATOM 360 C GLY A 24 8.217 5.432 14.783 1.00 0.00 C ATOM 361 O GLY A 24 9.330 5.905 14.566 1.00 0.00 O ATOM 0 H GLY A 24 6.040 7.386 13.866 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.199 6.470 16.318 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.155 5.588 15.221 1.00 0.00 H new ATOM 365 N LYS A 25 7.966 4.070 14.601 1.00 0.00 N ATOM 366 CA LYS A 25 9.005 3.192 14.123 1.00 0.00 C ATOM 367 C LYS A 25 8.719 2.723 12.705 1.00 0.00 C ATOM 368 O LYS A 25 7.537 2.756 12.259 1.00 0.00 O ATOM 369 CB LYS A 25 9.138 1.968 15.009 1.00 0.00 C ATOM 370 CG LYS A 25 8.408 2.100 16.347 1.00 0.00 C ATOM 371 CD LYS A 25 7.910 0.772 16.832 1.00 0.00 C ATOM 372 CE LYS A 25 6.992 0.103 15.850 1.00 0.00 C ATOM 373 NZ LYS A 25 7.539 -1.249 15.480 1.00 0.00 N ATOM 0 H LYS A 25 7.071 3.617 14.784 1.00 0.00 H new ATOM 0 HA LYS A 25 9.933 3.764 14.142 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.749 1.100 14.476 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.195 1.779 15.198 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.080 2.531 17.089 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.569 2.788 16.239 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.761 0.120 17.030 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.386 0.909 17.778 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.997 -0.003 16.282 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.888 0.720 14.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.900 -1.708 14.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.479 -1.137 15.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.616 -1.838 16.334 1.00 0.00 H new ATOM 387 N HIS A 26 9.722 2.324 11.971 1.00 0.00 N ATOM 388 CA HIS A 26 9.543 1.829 10.587 1.00 0.00 C ATOM 389 C HIS A 26 8.683 0.586 10.526 1.00 0.00 C ATOM 390 O HIS A 26 8.797 -0.269 11.429 1.00 0.00 O ATOM 391 CB HIS A 26 10.908 1.586 9.921 1.00 0.00 C ATOM 392 CG HIS A 26 12.104 1.850 10.820 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.271 1.152 12.022 1.00 0.00 N ATOM 394 CD2 HIS A 26 13.098 2.684 10.706 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.414 1.633 12.578 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.937 2.521 11.812 1.00 0.00 N ATOM 0 H HIS A 26 10.690 2.323 12.291 1.00 0.00 H new ATOM 0 HA HIS A 26 9.014 2.605 10.033 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.951 0.553 9.575 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.986 2.221 9.039 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.248 3.382 9.896 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.823 1.315 13.526 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.811 3.020 11.981 1.00 0.00 H new ATOM 405 N LYS A 27 7.825 0.527 9.534 1.00 0.00 N ATOM 406 CA LYS A 27 6.929 -0.659 9.397 1.00 0.00 C ATOM 407 C LYS A 27 7.641 -1.782 8.617 1.00 0.00 C ATOM 408 O LYS A 27 8.717 -1.589 8.067 1.00 0.00 O ATOM 409 CB LYS A 27 5.651 -0.201 8.670 1.00 0.00 C ATOM 410 CG LYS A 27 5.742 -0.299 7.184 1.00 0.00 C ATOM 411 CD LYS A 27 5.236 0.982 6.494 1.00 0.00 C ATOM 412 CE LYS A 27 5.674 2.219 7.285 1.00 0.00 C ATOM 413 NZ LYS A 27 6.272 3.231 6.376 1.00 0.00 N ATOM 0 H LYS A 27 7.709 1.245 8.819 1.00 0.00 H new ATOM 0 HA LYS A 27 6.672 -1.061 10.377 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.811 -0.804 9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.437 0.832 8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.777 -0.483 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.158 -1.152 6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.626 1.035 5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.149 0.957 6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.817 2.649 7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.398 1.933 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.217 3.494 6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.353 2.833 5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.666 4.076 6.350 1.00 0.00 H new ATOM 427 N THR A 28 6.953 -2.914 8.512 1.00 0.00 N ATOM 428 CA THR A 28 7.520 -4.079 7.821 1.00 0.00 C ATOM 429 C THR A 28 7.529 -3.768 6.304 1.00 0.00 C ATOM 430 O THR A 28 8.471 -4.167 5.642 1.00 0.00 O ATOM 431 CB THR A 28 6.692 -5.317 8.088 1.00 0.00 C ATOM 432 OG1 THR A 28 6.078 -5.223 9.361 1.00 0.00 O ATOM 433 CG2 THR A 28 7.495 -6.630 8.042 1.00 0.00 C ATOM 0 H THR A 28 6.016 -3.055 8.888 1.00 0.00 H new ATOM 0 HA THR A 28 8.530 -4.271 8.183 1.00 0.00 H new ATOM 0 HB THR A 28 5.956 -5.354 7.285 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.189 -4.821 9.267 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.830 -7.470 8.243 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.942 -6.749 7.055 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.282 -6.602 8.795 1.00 0.00 H new ATOM 441 N GLY A 29 6.486 -3.134 5.791 1.00 0.00 N ATOM 442 CA GLY A 29 6.439 -2.847 4.402 1.00 0.00 C ATOM 443 C GLY A 29 5.989 -1.385 4.127 1.00 0.00 C ATOM 444 O GLY A 29 5.181 -0.858 4.921 1.00 0.00 O ATOM 0 H GLY A 29 5.677 -2.819 6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.423 -3.012 3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.752 -3.537 3.912 1.00 0.00 H new ATOM 448 N PRO A 30 6.443 -0.786 3.054 1.00 0.00 N ATOM 449 CA PRO A 30 6.068 0.584 2.697 1.00 0.00 C ATOM 450 C PRO A 30 4.580 0.839 2.860 1.00 0.00 C ATOM 451 O PRO A 30 3.703 0.180 2.320 1.00 0.00 O ATOM 452 CB PRO A 30 6.414 0.703 1.166 1.00 0.00 C ATOM 453 CG PRO A 30 7.563 -0.243 1.015 1.00 0.00 C ATOM 454 CD PRO A 30 7.355 -1.410 2.052 1.00 0.00 C ATOM 0 HA PRO A 30 6.587 1.297 3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.570 0.419 0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.689 1.721 0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.605 -0.636 -0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.508 0.269 1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.909 -2.291 1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.296 -1.728 2.501 1.00 0.00 H new ATOM 462 N ASN A 31 4.242 1.835 3.689 1.00 0.00 N ATOM 463 CA ASN A 31 2.858 2.194 3.974 1.00 0.00 C ATOM 464 C ASN A 31 2.089 2.481 2.727 1.00 0.00 C ATOM 465 O ASN A 31 1.136 1.782 2.384 1.00 0.00 O ATOM 466 CB ASN A 31 2.835 3.429 4.927 1.00 0.00 C ATOM 467 CG ASN A 31 1.632 3.412 5.850 1.00 0.00 C ATOM 468 OD1 ASN A 31 0.870 2.431 5.840 1.00 0.00 O ATOM 469 ND2 ASN A 31 1.422 4.479 6.567 1.00 0.00 N ATOM 0 H ASN A 31 4.926 2.412 4.179 1.00 0.00 H new ATOM 0 HA ASN A 31 2.375 1.345 4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.748 3.445 5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.825 4.344 4.335 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.595 4.539 7.161 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.084 5.254 6.534 1.00 0.00 H new ATOM 476 N LEU A 32 2.564 3.461 1.936 1.00 0.00 N ATOM 477 CA LEU A 32 1.898 3.805 0.785 1.00 0.00 C ATOM 478 C LEU A 32 2.687 4.925 -0.035 1.00 0.00 C ATOM 479 O LEU A 32 2.664 5.019 -1.261 1.00 0.00 O ATOM 480 CB LEU A 32 0.464 4.261 0.856 1.00 0.00 C ATOM 481 CG LEU A 32 -0.071 5.437 1.693 1.00 0.00 C ATOM 482 CD1 LEU A 32 0.509 5.382 3.097 1.00 0.00 C ATOM 483 CD2 LEU A 32 0.324 6.722 1.005 1.00 0.00 C ATOM 0 H LEU A 32 3.412 3.996 2.121 1.00 0.00 H new ATOM 0 HA LEU A 32 1.863 2.828 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.172 4.475 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.107 3.389 1.175 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.156 5.381 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.125 6.218 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.222 4.444 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.596 5.445 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.045 7.571 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.410 6.777 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.108 6.747 0.005 1.00 0.00 H new ATOM 495 N HIS A 33 3.360 5.784 0.750 1.00 0.00 N ATOM 496 CA HIS A 33 4.138 6.851 0.170 1.00 0.00 C ATOM 497 C HIS A 33 5.051 6.386 -0.987 1.00 0.00 C ATOM 498 O HIS A 33 5.811 5.429 -0.805 1.00 0.00 O ATOM 499 CB HIS A 33 5.056 7.526 1.238 1.00 0.00 C ATOM 500 CG HIS A 33 4.897 9.017 1.317 1.00 0.00 C ATOM 501 ND1 HIS A 33 5.830 9.810 1.859 1.00 0.00 N ATOM 502 CD2 HIS A 33 3.887 9.828 0.927 1.00 0.00 C ATOM 503 CE1 HIS A 33 5.420 11.063 1.793 1.00 0.00 C ATOM 504 NE2 HIS A 33 4.226 11.099 1.203 1.00 0.00 N ATOM 0 H HIS A 33 3.371 5.748 1.769 1.00 0.00 H new ATOM 0 HA HIS A 33 3.401 7.553 -0.219 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.839 7.094 2.215 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.096 7.292 1.010 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.962 9.508 0.470 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.965 11.921 2.158 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.674 11.932 1.000 1.00 0.00 H new ATOM 513 N GLY A 34 4.896 7.002 -2.155 1.00 0.00 N ATOM 514 CA GLY A 34 5.648 6.612 -3.311 1.00 0.00 C ATOM 515 C GLY A 34 5.245 5.236 -3.881 1.00 0.00 C ATOM 516 O GLY A 34 5.949 4.632 -4.611 1.00 0.00 O ATOM 0 H GLY A 34 4.250 7.775 -2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.522 7.367 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.707 6.592 -3.054 1.00 0.00 H new ATOM 520 N LEU A 35 4.023 4.782 -3.464 1.00 0.00 N ATOM 521 CA LEU A 35 3.501 3.517 -3.954 1.00 0.00 C ATOM 522 C LEU A 35 3.353 3.538 -5.459 1.00 0.00 C ATOM 523 O LEU A 35 3.777 2.595 -6.100 1.00 0.00 O ATOM 524 CB LEU A 35 2.178 3.208 -3.266 1.00 0.00 C ATOM 525 CG LEU A 35 1.608 1.836 -3.584 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.589 0.786 -3.193 1.00 0.00 C ATOM 527 CD2 LEU A 35 0.271 1.623 -2.790 1.00 0.00 C ATOM 0 H LEU A 35 3.415 5.274 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 35 4.209 2.723 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.316 3.289 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.449 3.966 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 35 1.409 1.768 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.179 -0.198 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.517 0.930 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.790 0.856 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.136 0.638 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.468 1.694 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.449 2.389 -3.078 1.00 0.00 H new ATOM 539 N PHE A 36 2.738 4.555 -5.976 1.00 0.00 N ATOM 540 CA PHE A 36 2.536 4.687 -7.442 1.00 0.00 C ATOM 541 C PHE A 36 3.456 5.783 -7.988 1.00 0.00 C ATOM 542 O PHE A 36 3.220 6.233 -9.118 1.00 0.00 O ATOM 543 CB PHE A 36 1.008 5.002 -7.746 1.00 0.00 C ATOM 544 CG PHE A 36 0.118 4.483 -6.663 1.00 0.00 C ATOM 545 CD1 PHE A 36 -0.480 3.242 -6.809 1.00 0.00 C ATOM 546 CD2 PHE A 36 -0.202 5.263 -5.561 1.00 0.00 C ATOM 547 CE1 PHE A 36 -1.355 2.761 -5.854 1.00 0.00 C ATOM 548 CE2 PHE A 36 -1.085 4.740 -4.593 1.00 0.00 C ATOM 549 CZ PHE A 36 -1.637 3.534 -4.764 1.00 0.00 C ATOM 0 H PHE A 36 2.354 5.325 -5.428 1.00 0.00 H new ATOM 0 HA PHE A 36 2.791 3.751 -7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.870 6.078 -7.848 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.725 4.553 -8.698 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.260 2.643 -7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.217 6.252 -5.446 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.809 1.788 -5.968 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.316 5.316 -3.709 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.325 3.161 -4.020 1.00 0.00 H new ATOM 559 N GLY A 37 4.421 6.229 -7.239 1.00 0.00 N ATOM 560 CA GLY A 37 5.353 7.218 -7.682 1.00 0.00 C ATOM 561 C GLY A 37 6.809 6.807 -7.604 1.00 0.00 C ATOM 562 O GLY A 37 7.573 7.142 -8.521 1.00 0.00 O ATOM 0 H GLY A 37 4.584 5.908 -6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.120 7.479 -8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.213 8.120 -7.086 1.00 0.00 H new ATOM 566 N ARG A 38 7.122 6.058 -6.563 1.00 0.00 N ATOM 567 CA ARG A 38 8.487 5.574 -6.383 1.00 0.00 C ATOM 568 C ARG A 38 8.669 4.216 -7.053 1.00 0.00 C ATOM 569 O ARG A 38 7.695 3.582 -7.462 1.00 0.00 O ATOM 570 CB ARG A 38 8.824 5.476 -4.896 1.00 0.00 C ATOM 571 CG ARG A 38 8.902 6.825 -4.200 1.00 0.00 C ATOM 572 CD ARG A 38 9.593 6.715 -2.850 1.00 0.00 C ATOM 573 NE ARG A 38 10.711 7.647 -2.730 1.00 0.00 N ATOM 574 CZ ARG A 38 10.618 8.947 -2.990 1.00 0.00 C ATOM 575 NH1 ARG A 38 9.464 9.464 -3.386 1.00 0.00 N ATOM 576 NH2 ARG A 38 11.680 9.729 -2.857 1.00 0.00 N ATOM 0 H ARG A 38 6.465 5.773 -5.837 1.00 0.00 H new ATOM 0 HA ARG A 38 9.167 6.285 -6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.070 4.864 -4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.778 4.962 -4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.443 7.530 -4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.897 7.225 -4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.872 6.910 -2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.954 5.696 -2.709 1.00 0.00 H new ATOM 0 HE ARG A 38 11.614 7.280 -2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.646 8.864 -3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.394 10.462 -3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.570 9.333 -2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.607 10.727 -3.057 1.00 0.00 H new ATOM 590 N LYS A 39 9.921 3.789 -7.202 1.00 0.00 N ATOM 591 CA LYS A 39 10.219 2.523 -7.798 1.00 0.00 C ATOM 592 C LYS A 39 9.441 1.375 -7.183 1.00 0.00 C ATOM 593 O LYS A 39 8.291 1.115 -7.537 1.00 0.00 O ATOM 594 CB LYS A 39 11.747 2.216 -7.749 1.00 0.00 C ATOM 595 CG LYS A 39 12.098 0.874 -8.502 1.00 0.00 C ATOM 596 CD LYS A 39 11.012 0.453 -9.458 1.00 0.00 C ATOM 597 CE LYS A 39 10.713 1.463 -10.540 1.00 0.00 C ATOM 598 NZ LYS A 39 9.399 1.256 -11.179 1.00 0.00 N ATOM 0 H LYS A 39 10.741 4.320 -6.909 1.00 0.00 H new ATOM 0 HA LYS A 39 9.904 2.607 -8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.298 3.041 -8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.071 2.146 -6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.032 1.001 -9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.262 0.082 -7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.300 -0.489 -9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.100 0.262 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.749 2.465 -10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.492 1.413 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.939 2.176 -11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.529 0.777 -12.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.802 0.669 -10.562 1.00 0.00 H new ATOM 612 N THR A 40 10.092 0.502 -6.442 1.00 0.00 N ATOM 613 CA THR A 40 9.364 -0.411 -5.544 1.00 0.00 C ATOM 614 C THR A 40 10.067 -0.533 -4.105 1.00 0.00 C ATOM 615 O THR A 40 11.015 -1.129 -3.855 1.00 0.00 O ATOM 616 CB THR A 40 9.186 -1.821 -5.943 1.00 0.00 C ATOM 617 OG1 THR A 40 10.389 -2.521 -6.161 1.00 0.00 O ATOM 618 CG2 THR A 40 8.102 -2.171 -6.794 1.00 0.00 C ATOM 0 H THR A 40 11.106 0.395 -6.433 1.00 0.00 H new ATOM 0 HA THR A 40 8.392 0.082 -5.563 1.00 0.00 H new ATOM 0 HB THR A 40 8.779 -2.228 -5.017 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.020 -2.320 -5.438 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.122 -3.244 -6.986 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.161 -1.905 -6.312 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.191 -1.632 -7.737 1.00 0.00 H new ATOM 626 N GLY A 41 9.156 -0.036 -3.184 1.00 0.00 N ATOM 627 CA GLY A 41 9.529 -0.081 -1.752 1.00 0.00 C ATOM 628 C GLY A 41 10.948 0.407 -1.472 1.00 0.00 C ATOM 629 O GLY A 41 11.626 -0.156 -0.609 1.00 0.00 O ATOM 0 H GLY A 41 8.242 0.363 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.826 0.528 -1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.429 -1.105 -1.391 1.00 0.00 H new ATOM 633 N GLN A 42 11.340 1.446 -2.172 1.00 0.00 N ATOM 634 CA GLN A 42 12.667 2.061 -1.959 1.00 0.00 C ATOM 635 C GLN A 42 12.552 3.268 -1.063 1.00 0.00 C ATOM 636 O GLN A 42 13.175 4.289 -1.354 1.00 0.00 O ATOM 637 CB GLN A 42 13.269 2.398 -3.319 1.00 0.00 C ATOM 638 CG GLN A 42 12.271 2.483 -4.462 1.00 0.00 C ATOM 639 CD GLN A 42 11.151 3.428 -4.118 1.00 0.00 C ATOM 640 OE1 GLN A 42 11.327 4.579 -3.719 1.00 0.00 O ATOM 641 NE2 GLN A 42 9.899 2.936 -4.349 1.00 0.00 N ATOM 0 H GLN A 42 10.776 1.894 -2.894 1.00 0.00 H new ATOM 0 HA GLN A 42 13.334 1.364 -1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.791 3.351 -3.242 1.00 0.00 H new ATOM 0 HB3 GLN A 42 14.017 1.644 -3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.775 2.822 -5.367 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.867 1.493 -4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.780 1.978 -4.680 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.082 3.526 -4.191 1.00 0.00 H new ATOM 650 N ALA A 43 11.812 3.169 0.019 1.00 0.00 N ATOM 651 CA ALA A 43 11.654 4.284 0.944 1.00 0.00 C ATOM 652 C ALA A 43 12.984 4.826 1.446 1.00 0.00 C ATOM 653 O ALA A 43 14.055 4.253 1.063 1.00 0.00 O ATOM 654 CB ALA A 43 10.790 3.872 2.127 1.00 0.00 C ATOM 0 H ALA A 43 11.305 2.325 0.286 1.00 0.00 H new ATOM 0 HA ALA A 43 11.166 5.084 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.681 4.715 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.807 3.565 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.262 3.041 2.650 1.00 0.00 H new ATOM 660 N PRO A 44 12.973 5.871 2.241 1.00 0.00 N ATOM 661 CA PRO A 44 14.204 6.492 2.792 1.00 0.00 C ATOM 662 C PRO A 44 14.756 5.736 3.964 1.00 0.00 C ATOM 663 O PRO A 44 15.388 4.657 3.835 1.00 0.00 O ATOM 664 CB PRO A 44 13.746 7.899 3.184 1.00 0.00 C ATOM 665 CG PRO A 44 12.339 7.672 3.583 1.00 0.00 C ATOM 666 CD PRO A 44 11.771 6.618 2.703 1.00 0.00 C ATOM 0 HA PRO A 44 15.024 6.495 2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.340 8.307 4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.825 8.599 2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.285 7.365 4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.765 8.594 3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.080 5.972 3.244 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.218 7.047 1.867 1.00 0.00 H new ATOM 674 N GLY A 45 14.569 6.258 5.187 1.00 0.00 N ATOM 675 CA GLY A 45 15.042 5.571 6.408 1.00 0.00 C ATOM 676 C GLY A 45 14.254 4.351 6.720 1.00 0.00 C ATOM 677 O GLY A 45 14.467 3.738 7.766 1.00 0.00 O ATOM 0 H GLY A 45 14.098 7.146 5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.090 5.300 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.988 6.259 7.251 1.00 0.00 H new ATOM 681 N PHE A 46 13.388 3.940 5.847 1.00 0.00 N ATOM 682 CA PHE A 46 12.582 2.739 6.035 1.00 0.00 C ATOM 683 C PHE A 46 13.360 1.492 5.631 1.00 0.00 C ATOM 684 O PHE A 46 14.013 1.437 4.571 1.00 0.00 O ATOM 685 CB PHE A 46 11.294 2.844 5.197 1.00 0.00 C ATOM 686 CG PHE A 46 10.365 1.611 5.367 1.00 0.00 C ATOM 687 CD1 PHE A 46 9.647 1.430 6.519 1.00 0.00 C ATOM 688 CD2 PHE A 46 10.314 0.666 4.339 1.00 0.00 C ATOM 689 CE1 PHE A 46 8.802 0.347 6.642 1.00 0.00 C ATOM 690 CE2 PHE A 46 9.502 -0.412 4.496 1.00 0.00 C ATOM 691 CZ PHE A 46 8.756 -0.589 5.677 1.00 0.00 C ATOM 0 H PHE A 46 13.207 4.424 4.968 1.00 0.00 H new ATOM 0 HA PHE A 46 12.327 2.656 7.091 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.751 3.745 5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.558 2.952 4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.742 2.135 7.331 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.905 0.789 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.175 0.250 7.516 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.428 -1.143 3.704 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.149 -1.473 5.808 1.00 0.00 H new ATOM 701 N THR A 47 13.261 0.467 6.463 1.00 0.00 N ATOM 702 CA THR A 47 13.958 -0.809 6.171 1.00 0.00 C ATOM 703 C THR A 47 13.175 -1.639 5.145 1.00 0.00 C ATOM 704 O THR A 47 12.198 -2.262 5.513 1.00 0.00 O ATOM 705 CB THR A 47 14.186 -1.556 7.450 1.00 0.00 C ATOM 706 OG1 THR A 47 15.527 -2.001 7.579 1.00 0.00 O ATOM 707 CG2 THR A 47 13.298 -2.793 7.591 1.00 0.00 C ATOM 0 H THR A 47 12.723 0.475 7.329 1.00 0.00 H new ATOM 0 HA THR A 47 14.929 -0.599 5.723 1.00 0.00 H new ATOM 0 HB THR A 47 13.940 -0.832 8.227 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.632 -2.481 8.427 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.512 -3.289 8.538 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.250 -2.493 7.567 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.498 -3.480 6.769 1.00 0.00 H new ATOM 715 N TYR A 48 13.615 -1.610 3.891 1.00 0.00 N ATOM 716 CA TYR A 48 12.956 -2.356 2.828 1.00 0.00 C ATOM 717 C TYR A 48 13.236 -3.849 2.936 1.00 0.00 C ATOM 718 O TYR A 48 14.218 -4.271 3.545 1.00 0.00 O ATOM 719 CB TYR A 48 13.418 -1.852 1.459 1.00 0.00 C ATOM 720 CG TYR A 48 14.471 -0.770 1.531 1.00 0.00 C ATOM 721 CD1 TYR A 48 15.755 -1.052 1.982 1.00 0.00 C ATOM 722 CD2 TYR A 48 14.182 0.534 1.149 1.00 0.00 C ATOM 723 CE1 TYR A 48 16.721 -0.066 2.048 1.00 0.00 C ATOM 724 CE2 TYR A 48 15.144 1.526 1.213 1.00 0.00 C ATOM 725 CZ TYR A 48 16.410 1.221 1.663 1.00 0.00 C ATOM 726 OH TYR A 48 17.370 2.205 1.728 1.00 0.00 O ATOM 0 H TYR A 48 14.429 -1.075 3.587 1.00 0.00 H new ATOM 0 HA TYR A 48 11.883 -2.197 2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.812 -2.692 0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 48 12.555 -1.471 0.912 1.00 0.00 H new ATOM 0 HD1 TYR A 48 16.002 -2.058 2.286 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.191 0.777 0.796 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.715 -0.302 2.399 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.904 2.535 0.912 1.00 0.00 H new ATOM 0 HH TYR A 48 16.990 3.054 1.420 1.00 0.00 H new ATOM 736 N THR A 49 12.369 -4.641 2.315 1.00 0.00 N ATOM 737 CA THR A 49 12.550 -6.110 2.333 1.00 0.00 C ATOM 738 C THR A 49 13.561 -6.496 1.250 1.00 0.00 C ATOM 739 O THR A 49 13.988 -5.703 0.472 1.00 0.00 O ATOM 740 CB THR A 49 11.168 -6.773 2.047 1.00 0.00 C ATOM 741 OG1 THR A 49 10.807 -6.550 0.678 1.00 0.00 O ATOM 742 CG2 THR A 49 10.049 -6.292 2.898 1.00 0.00 C ATOM 0 H THR A 49 11.550 -4.314 1.802 1.00 0.00 H new ATOM 0 HA THR A 49 12.923 -6.447 3.300 1.00 0.00 H new ATOM 0 HB THR A 49 11.307 -7.829 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.939 -6.968 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.132 -6.813 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.277 -6.490 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.915 -5.220 2.752 1.00 0.00 H new ATOM 750 N ASP A 50 13.940 -7.791 1.220 1.00 0.00 N ATOM 751 CA ASP A 50 14.916 -8.231 0.257 1.00 0.00 C ATOM 752 C ASP A 50 14.429 -7.869 -1.154 1.00 0.00 C ATOM 753 O ASP A 50 15.270 -7.542 -2.015 1.00 0.00 O ATOM 754 CB ASP A 50 15.085 -9.738 0.380 1.00 0.00 C ATOM 755 CG ASP A 50 15.530 -10.419 -0.914 1.00 0.00 C ATOM 756 OD1 ASP A 50 16.711 -10.797 -1.032 1.00 0.00 O ATOM 757 OD2 ASP A 50 14.665 -10.480 -1.863 1.00 0.00 O ATOM 0 H ASP A 50 13.584 -8.517 1.842 1.00 0.00 H new ATOM 0 HA ASP A 50 15.874 -7.744 0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.816 -9.949 1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.140 -10.175 0.702 1.00 0.00 H new ATOM 762 N ALA A 51 13.143 -7.961 -1.389 1.00 0.00 N ATOM 763 CA ALA A 51 12.553 -7.587 -2.706 1.00 0.00 C ATOM 764 C ALA A 51 12.642 -6.129 -2.974 1.00 0.00 C ATOM 765 O ALA A 51 13.026 -5.702 -4.097 1.00 0.00 O ATOM 766 CB ALA A 51 11.096 -8.086 -2.765 1.00 0.00 C ATOM 0 H ALA A 51 12.463 -8.289 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 51 13.133 -8.069 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.658 -7.816 -3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.078 -9.170 -2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.521 -7.626 -1.962 1.00 0.00 H new ATOM 772 N ASN A 52 12.358 -5.303 -1.961 1.00 0.00 N ATOM 773 CA ASN A 52 12.379 -3.834 -2.136 1.00 0.00 C ATOM 774 C ASN A 52 13.767 -3.374 -2.406 1.00 0.00 C ATOM 775 O ASN A 52 13.986 -2.543 -3.288 1.00 0.00 O ATOM 776 CB ASN A 52 11.829 -3.161 -0.840 1.00 0.00 C ATOM 777 CG ASN A 52 10.373 -3.462 -0.596 1.00 0.00 C ATOM 778 OD1 ASN A 52 9.712 -4.013 -1.573 1.00 0.00 O flip ATOM 779 ND2 ASN A 52 9.891 -3.278 0.520 1.00 0.00 N flip ATOM 0 H ASN A 52 12.113 -5.614 -1.021 1.00 0.00 H new ATOM 0 HA ASN A 52 11.753 -3.555 -2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.413 -3.500 0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.965 -2.082 -0.911 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.452 -2.842 1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.931 -3.562 0.714 1.00 0.00 H new ATOM 786 N LYS A 53 14.761 -3.915 -1.700 1.00 0.00 N ATOM 787 CA LYS A 53 16.160 -3.565 -1.894 1.00 0.00 C ATOM 788 C LYS A 53 16.557 -3.877 -3.321 1.00 0.00 C ATOM 789 O LYS A 53 17.443 -3.206 -3.892 1.00 0.00 O ATOM 790 CB LYS A 53 17.041 -4.337 -0.874 1.00 0.00 C ATOM 791 CG LYS A 53 16.733 -5.837 -0.842 1.00 0.00 C ATOM 792 CD LYS A 53 17.781 -6.555 -0.011 1.00 0.00 C ATOM 793 CE LYS A 53 17.411 -6.601 1.491 1.00 0.00 C ATOM 794 NZ LYS A 53 17.213 -8.005 2.010 1.00 0.00 N ATOM 0 H LYS A 53 14.611 -4.614 -0.972 1.00 0.00 H new ATOM 0 HA LYS A 53 16.309 -2.499 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.092 -4.191 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.890 -3.918 0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.742 -6.006 -0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.721 -6.238 -1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.903 -7.572 -0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.742 -6.054 -0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.198 -6.114 2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.497 -6.029 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.239 -8.112 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.384 -8.686 1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.880 -8.185 2.788 1.00 0.00 H new ATOM 808 N ASN A 54 15.968 -4.939 -3.908 1.00 0.00 N ATOM 809 CA ASN A 54 16.269 -5.347 -5.273 1.00 0.00 C ATOM 810 C ASN A 54 15.623 -4.394 -6.268 1.00 0.00 C ATOM 811 O ASN A 54 15.992 -4.346 -7.437 1.00 0.00 O ATOM 812 CB ASN A 54 15.747 -6.753 -5.487 1.00 0.00 C ATOM 813 CG ASN A 54 16.371 -7.771 -4.580 1.00 0.00 C ATOM 814 OD1 ASN A 54 17.189 -7.254 -3.638 1.00 0.00 O flip ATOM 815 ND2 ASN A 54 16.125 -8.973 -4.682 1.00 0.00 N flip ATOM 0 H ASN A 54 15.276 -5.527 -3.443 1.00 0.00 H new ATOM 0 HA ASN A 54 17.347 -5.323 -5.430 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.668 -6.757 -5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.925 -7.044 -6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.498 -9.305 -5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 54 16.548 -9.637 -4.033 1.00 0.00 H new ATOM 822 N LYS A 55 14.657 -3.625 -5.748 1.00 0.00 N ATOM 823 CA LYS A 55 13.964 -2.617 -6.596 1.00 0.00 C ATOM 824 C LYS A 55 12.965 -3.347 -7.537 1.00 0.00 C ATOM 825 O LYS A 55 13.144 -3.273 -8.754 1.00 0.00 O ATOM 826 CB LYS A 55 14.926 -1.808 -7.376 1.00 0.00 C ATOM 827 CG LYS A 55 15.650 -0.764 -6.565 1.00 0.00 C ATOM 828 CD LYS A 55 17.169 -0.663 -6.843 1.00 0.00 C ATOM 829 CE LYS A 55 17.761 -2.108 -6.973 1.00 0.00 C ATOM 830 NZ LYS A 55 19.232 -2.073 -6.697 1.00 0.00 N ATOM 0 H LYS A 55 14.338 -3.669 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 55 13.420 -1.928 -5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.660 -2.474 -7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.394 -1.316 -8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.194 0.207 -6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.502 -0.980 -5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.347 -0.099 -7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.665 -0.124 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.265 -2.780 -6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.577 -2.499 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.624 -3.032 -6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.699 -1.445 -7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.396 -1.717 -5.734 1.00 0.00 H new ATOM 844 N GLY A 56 12.006 -4.007 -6.958 1.00 0.00 N ATOM 845 CA GLY A 56 11.032 -4.688 -7.799 1.00 0.00 C ATOM 846 C GLY A 56 10.351 -3.781 -8.805 1.00 0.00 C ATOM 847 O GLY A 56 11.021 -3.428 -9.824 1.00 0.00 O ATOM 0 H GLY A 56 11.868 -4.095 -5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.530 -5.498 -8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.273 -5.144 -7.163 1.00 0.00 H new ATOM 851 N ILE A 57 9.135 -3.433 -8.567 1.00 0.00 N ATOM 852 CA ILE A 57 8.440 -2.528 -9.503 1.00 0.00 C ATOM 853 C ILE A 57 7.364 -1.614 -8.891 1.00 0.00 C ATOM 854 O ILE A 57 7.003 -1.890 -7.680 1.00 0.00 O ATOM 855 CB ILE A 57 7.708 -3.283 -10.568 1.00 0.00 C ATOM 856 CG1 ILE A 57 8.081 -2.693 -11.953 1.00 0.00 C ATOM 857 CG2 ILE A 57 6.174 -3.287 -10.356 1.00 0.00 C ATOM 858 CD1 ILE A 57 8.381 -1.204 -11.829 1.00 0.00 C ATOM 0 H ILE A 57 8.586 -3.735 -7.762 1.00 0.00 H new ATOM 0 HA ILE A 57 9.268 -1.924 -9.873 1.00 0.00 H new ATOM 0 HB ILE A 57 8.017 -4.327 -10.515 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.950 -3.214 -12.356 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.262 -2.849 -12.655 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.697 -3.849 -11.159 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.940 -3.753 -9.399 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.803 -2.262 -10.361 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.641 -0.803 -12.808 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.501 -0.686 -11.447 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.215 -1.057 -11.143 1.00 0.00 H new ATOM 870 N THR A 58 6.912 -0.619 -9.486 1.00 0.00 N ATOM 871 CA THR A 58 6.003 0.347 -8.899 1.00 0.00 C ATOM 872 C THR A 58 4.562 -0.273 -8.852 1.00 0.00 C ATOM 873 O THR A 58 3.993 -0.495 -9.912 1.00 0.00 O ATOM 874 CB THR A 58 5.967 1.613 -9.694 1.00 0.00 C ATOM 875 OG1 THR A 58 6.182 2.755 -8.847 1.00 0.00 O ATOM 876 CG2 THR A 58 4.689 1.905 -10.446 1.00 0.00 C ATOM 0 H THR A 58 7.153 -0.404 -10.454 1.00 0.00 H new ATOM 0 HA THR A 58 6.353 0.585 -7.894 1.00 0.00 H new ATOM 0 HB THR A 58 6.757 1.448 -10.426 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.065 2.689 -8.427 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.790 2.849 -10.982 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.494 1.103 -11.158 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.860 1.974 -9.742 1.00 0.00 H new ATOM 884 N TRP A 59 4.066 -0.449 -7.632 1.00 0.00 N ATOM 885 CA TRP A 59 2.734 -1.019 -7.469 1.00 0.00 C ATOM 886 C TRP A 59 1.665 -0.026 -7.941 1.00 0.00 C ATOM 887 O TRP A 59 1.453 1.008 -7.326 1.00 0.00 O ATOM 888 CB TRP A 59 2.557 -1.361 -5.961 1.00 0.00 C ATOM 889 CG TRP A 59 3.824 -1.499 -5.210 1.00 0.00 C ATOM 890 CD1 TRP A 59 4.662 -0.500 -4.755 1.00 0.00 C ATOM 891 CD2 TRP A 59 4.462 -2.761 -4.891 1.00 0.00 C ATOM 892 NE1 TRP A 59 5.738 -1.037 -4.147 1.00 0.00 N ATOM 893 CE2 TRP A 59 5.652 -2.443 -4.210 1.00 0.00 C ATOM 894 CE3 TRP A 59 4.181 -4.087 -5.089 1.00 0.00 C ATOM 895 CZ2 TRP A 59 6.556 -3.426 -3.741 1.00 0.00 C ATOM 896 CZ3 TRP A 59 5.019 -5.062 -4.663 1.00 0.00 C ATOM 897 CH2 TRP A 59 6.193 -4.728 -3.964 1.00 0.00 C ATOM 0 H TRP A 59 4.549 -0.213 -6.765 1.00 0.00 H new ATOM 0 HA TRP A 59 2.621 -1.919 -8.073 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.955 -0.582 -5.493 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.996 -2.292 -5.876 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.481 0.559 -4.870 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.494 -0.510 -3.711 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.269 -4.362 -5.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 7.476 -3.166 -3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.785 -6.098 -4.860 1.00 0.00 H new ATOM 0 HH2 TRP A 59 6.826 -5.520 -3.593 1.00 0.00 H new ATOM 908 N LYS A 60 1.020 -0.395 -9.020 1.00 0.00 N ATOM 909 CA LYS A 60 -0.039 0.405 -9.614 1.00 0.00 C ATOM 910 C LYS A 60 -1.406 -0.156 -9.327 1.00 0.00 C ATOM 911 O LYS A 60 -1.542 -1.241 -8.742 1.00 0.00 O ATOM 912 CB LYS A 60 0.151 0.526 -11.157 1.00 0.00 C ATOM 913 CG LYS A 60 -1.076 0.093 -11.932 1.00 0.00 C ATOM 914 CD LYS A 60 -1.939 1.325 -12.328 1.00 0.00 C ATOM 915 CE LYS A 60 -2.365 1.199 -13.813 1.00 0.00 C ATOM 916 NZ LYS A 60 -1.892 2.366 -14.589 1.00 0.00 N ATOM 0 H LYS A 60 1.211 -1.264 -9.519 1.00 0.00 H new ATOM 0 HA LYS A 60 0.029 1.393 -9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.390 1.559 -11.410 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.002 -0.082 -11.463 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.774 -0.449 -12.828 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.669 -0.594 -11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.820 1.386 -11.689 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.372 2.244 -12.178 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.956 0.282 -14.238 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.450 1.125 -13.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.186 2.265 -15.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.302 3.236 -14.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.855 2.419 -14.539 1.00 0.00 H new ATOM 930 N GLU A 61 -2.456 0.589 -9.639 1.00 0.00 N ATOM 931 CA GLU A 61 -3.845 0.176 -9.364 1.00 0.00 C ATOM 932 C GLU A 61 -4.131 -1.140 -10.146 1.00 0.00 C ATOM 933 O GLU A 61 -4.514 -2.150 -9.539 1.00 0.00 O ATOM 934 CB GLU A 61 -4.820 1.222 -9.741 1.00 0.00 C ATOM 935 CG GLU A 61 -5.887 1.518 -8.669 1.00 0.00 C ATOM 936 CD GLU A 61 -7.302 1.231 -9.131 1.00 0.00 C ATOM 937 OE1 GLU A 61 -8.221 2.009 -8.778 1.00 0.00 O ATOM 938 OE2 GLU A 61 -7.497 0.239 -9.876 1.00 0.00 O ATOM 0 H GLU A 61 -2.380 1.500 -10.091 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.957 0.014 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.279 2.142 -9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.321 0.919 -10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.675 0.922 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.814 2.565 -8.374 1.00 0.00 H new ATOM 945 N GLU A 62 -3.998 -1.071 -11.444 1.00 0.00 N ATOM 946 CA GLU A 62 -4.270 -2.232 -12.289 1.00 0.00 C ATOM 947 C GLU A 62 -3.336 -3.393 -11.959 1.00 0.00 C ATOM 948 O GLU A 62 -3.770 -4.557 -11.850 1.00 0.00 O ATOM 949 CB GLU A 62 -4.136 -1.893 -13.752 1.00 0.00 C ATOM 950 CG GLU A 62 -2.723 -2.057 -14.288 1.00 0.00 C ATOM 951 CD GLU A 62 -2.576 -1.542 -15.702 1.00 0.00 C ATOM 952 OE1 GLU A 62 -3.602 -1.397 -16.449 1.00 0.00 O ATOM 953 OE2 GLU A 62 -1.433 -1.276 -16.128 1.00 0.00 O ATOM 0 H GLU A 62 -3.705 -0.234 -11.949 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.298 -2.532 -12.085 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.810 -2.529 -14.327 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.458 -0.863 -13.909 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.027 -1.527 -13.638 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.447 -3.111 -14.258 1.00 0.00 H new ATOM 960 N THR A 63 -2.060 -3.100 -11.748 1.00 0.00 N ATOM 961 CA THR A 63 -1.039 -4.140 -11.472 1.00 0.00 C ATOM 962 C THR A 63 -1.378 -4.753 -10.115 1.00 0.00 C ATOM 963 O THR A 63 -1.041 -5.915 -9.892 1.00 0.00 O ATOM 964 CB THR A 63 0.366 -3.518 -11.412 1.00 0.00 C ATOM 965 OG1 THR A 63 1.235 -4.209 -12.351 1.00 0.00 O ATOM 966 CG2 THR A 63 1.032 -3.574 -10.080 1.00 0.00 C ATOM 0 H THR A 63 -1.691 -2.149 -11.760 1.00 0.00 H new ATOM 0 HA THR A 63 -1.043 -4.891 -12.262 1.00 0.00 H new ATOM 0 HB THR A 63 0.216 -2.465 -11.652 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.132 -3.815 -12.318 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.016 -3.110 -10.145 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.427 -3.040 -9.348 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.141 -4.614 -9.771 1.00 0.00 H new ATOM 974 N LEU A 64 -2.003 -4.003 -9.207 1.00 0.00 N ATOM 975 CA LEU A 64 -2.366 -4.505 -7.924 1.00 0.00 C ATOM 976 C LEU A 64 -3.482 -5.494 -7.979 1.00 0.00 C ATOM 977 O LEU A 64 -3.579 -6.481 -7.233 1.00 0.00 O ATOM 978 CB LEU A 64 -2.734 -3.354 -6.991 1.00 0.00 C ATOM 979 CG LEU A 64 -1.686 -2.957 -5.951 1.00 0.00 C ATOM 980 CD1 LEU A 64 -2.190 -1.770 -5.107 1.00 0.00 C ATOM 981 CD2 LEU A 64 -1.319 -4.150 -5.080 1.00 0.00 C ATOM 0 H LEU A 64 -2.263 -3.029 -9.362 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.494 -5.032 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.958 -2.479 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.652 -3.620 -6.466 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.781 -2.636 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.433 -1.499 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.385 -0.918 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.109 -2.053 -4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.572 -3.848 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.209 -4.512 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.913 -4.946 -5.705 1.00 0.00 H new ATOM 993 N MET A 65 -4.390 -5.280 -8.937 1.00 0.00 N ATOM 994 CA MET A 65 -5.530 -6.133 -9.125 1.00 0.00 C ATOM 995 C MET A 65 -5.057 -7.518 -9.519 1.00 0.00 C ATOM 996 O MET A 65 -5.623 -8.521 -8.947 1.00 0.00 O ATOM 997 CB MET A 65 -6.457 -5.591 -10.243 1.00 0.00 C ATOM 998 CG MET A 65 -7.243 -4.351 -9.847 1.00 0.00 C ATOM 999 SD MET A 65 -8.082 -4.545 -8.308 1.00 0.00 S ATOM 1000 CE MET A 65 -6.859 -4.055 -7.136 1.00 0.00 C ATOM 0 H MET A 65 -4.340 -4.504 -9.597 1.00 0.00 H new ATOM 0 HA MET A 65 -6.089 -6.166 -8.190 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.854 -5.361 -11.121 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.157 -6.375 -10.533 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.565 -3.500 -9.782 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.969 -4.121 -10.626 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.312 -3.980 -6.147 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.059 -4.795 -7.114 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.449 -3.086 -7.422 1.00 0.00 H new ATOM 1010 N GLU A 66 -4.061 -7.633 -10.332 1.00 0.00 N ATOM 1011 CA GLU A 66 -3.511 -8.922 -10.735 1.00 0.00 C ATOM 1012 C GLU A 66 -2.590 -9.467 -9.650 1.00 0.00 C ATOM 1013 O GLU A 66 -2.551 -10.672 -9.397 1.00 0.00 O ATOM 1014 CB GLU A 66 -2.747 -8.787 -12.054 1.00 0.00 C ATOM 1015 CG GLU A 66 -1.895 -7.532 -12.136 1.00 0.00 C ATOM 1016 CD GLU A 66 -1.064 -7.474 -13.405 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -0.309 -8.435 -13.664 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -1.169 -6.468 -14.137 1.00 0.00 O ATOM 0 H GLU A 66 -3.586 -6.834 -10.752 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.336 -9.620 -10.879 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.107 -9.660 -12.185 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.459 -8.787 -12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.541 -6.655 -12.088 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.234 -7.489 -11.271 1.00 0.00 H new ATOM 1025 N TYR A 67 -1.847 -8.554 -9.037 1.00 0.00 N ATOM 1026 CA TYR A 67 -0.898 -8.960 -7.994 1.00 0.00 C ATOM 1027 C TYR A 67 -1.711 -9.598 -6.793 1.00 0.00 C ATOM 1028 O TYR A 67 -1.072 -10.339 -5.994 1.00 0.00 O ATOM 1029 CB TYR A 67 -0.120 -7.710 -7.488 1.00 0.00 C ATOM 1030 CG TYR A 67 0.203 -7.766 -5.994 1.00 0.00 C ATOM 1031 CD1 TYR A 67 1.465 -8.252 -5.572 1.00 0.00 C ATOM 1032 CD2 TYR A 67 -0.697 -7.329 -5.029 1.00 0.00 C ATOM 1033 CE1 TYR A 67 1.789 -8.322 -4.242 1.00 0.00 C ATOM 1034 CE2 TYR A 67 -0.342 -7.358 -3.720 1.00 0.00 C ATOM 1035 CZ TYR A 67 0.857 -7.838 -3.318 1.00 0.00 C ATOM 1036 OH TYR A 67 1.178 -7.892 -1.955 1.00 0.00 O ATOM 0 H TYR A 67 -1.876 -7.553 -9.232 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.190 -9.686 -8.393 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.809 -7.616 -8.051 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.709 -6.816 -7.693 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.184 -8.573 -6.311 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.673 -6.969 -5.320 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.732 -8.737 -3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.035 -6.988 -2.979 1.00 0.00 H new ATOM 0 HH TYR A 67 0.439 -7.521 -1.430 1.00 0.00 H new ATOM 1046 N LEU A 68 -2.960 -9.249 -6.697 1.00 0.00 N ATOM 1047 CA LEU A 68 -3.829 -9.819 -5.614 1.00 0.00 C ATOM 1048 C LEU A 68 -3.876 -11.306 -5.713 1.00 0.00 C ATOM 1049 O LEU A 68 -4.302 -12.005 -4.742 1.00 0.00 O ATOM 1050 CB LEU A 68 -5.198 -9.194 -5.663 1.00 0.00 C ATOM 1051 CG LEU A 68 -5.354 -7.799 -5.129 1.00 0.00 C ATOM 1052 CD1 LEU A 68 -6.723 -7.207 -5.434 1.00 0.00 C ATOM 1053 CD2 LEU A 68 -5.073 -7.800 -3.585 1.00 0.00 C ATOM 0 H LEU A 68 -3.426 -8.591 -7.321 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.400 -9.579 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.528 -9.193 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.881 -9.841 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.628 -7.162 -5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.782 -6.198 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.872 -7.171 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.497 -7.827 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.185 -6.789 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.781 -8.462 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.057 -8.150 -3.400 1.00 0.00 H new ATOM 1065 N GLU A 69 -3.544 -11.882 -6.856 1.00 0.00 N ATOM 1066 CA GLU A 69 -3.572 -13.311 -7.096 1.00 0.00 C ATOM 1067 C GLU A 69 -2.650 -14.038 -6.089 1.00 0.00 C ATOM 1068 O GLU A 69 -3.073 -14.605 -5.055 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.168 -13.630 -8.493 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.041 -14.663 -9.155 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.675 -14.940 -10.593 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.618 -14.454 -11.066 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.391 -15.657 -11.308 1.00 0.00 O ATOM 0 H GLU A 69 -3.237 -11.347 -7.669 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.595 -13.659 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.189 -12.715 -9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.137 -13.985 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.981 -15.593 -8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.078 -14.330 -9.112 1.00 0.00 H new ATOM 1080 N ASN A 70 -1.327 -14.034 -6.391 1.00 0.00 N ATOM 1081 CA ASN A 70 -0.332 -14.652 -5.525 1.00 0.00 C ATOM 1082 C ASN A 70 0.655 -13.660 -4.988 1.00 0.00 C ATOM 1083 O ASN A 70 1.675 -13.336 -5.604 1.00 0.00 O ATOM 1084 CB ASN A 70 0.434 -15.783 -6.289 1.00 0.00 C ATOM 1085 CG ASN A 70 -0.348 -17.080 -6.344 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -0.307 -17.812 -5.356 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -0.972 -17.353 -7.490 1.00 0.00 N ATOM 0 H ASN A 70 -0.940 -13.605 -7.232 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.874 -15.076 -4.680 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.650 -15.449 -7.304 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.393 -15.961 -5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.472 -18.235 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.949 -16.680 -8.256 1.00 0.00 H new ATOM 1094 N PRO A 71 0.395 -13.129 -3.771 1.00 0.00 N ATOM 1095 CA PRO A 71 1.231 -12.130 -3.128 1.00 0.00 C ATOM 1096 C PRO A 71 2.712 -12.598 -3.052 1.00 0.00 C ATOM 1097 O PRO A 71 3.612 -11.753 -3.099 1.00 0.00 O ATOM 1098 CB PRO A 71 0.645 -11.960 -1.737 1.00 0.00 C ATOM 1099 CG PRO A 71 -0.791 -12.369 -1.910 1.00 0.00 C ATOM 1100 CD PRO A 71 -0.823 -13.416 -2.989 1.00 0.00 C ATOM 0 HA PRO A 71 1.240 -11.193 -3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.156 -12.587 -1.007 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.730 -10.931 -1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.195 -12.764 -0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.406 -11.512 -2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.807 -14.424 -2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.722 -13.338 -3.600 1.00 0.00 H new ATOM 1108 N LYS A 72 2.906 -13.905 -2.920 1.00 0.00 N ATOM 1109 CA LYS A 72 4.224 -14.430 -2.852 1.00 0.00 C ATOM 1110 C LYS A 72 4.848 -14.570 -4.249 1.00 0.00 C ATOM 1111 O LYS A 72 6.072 -14.592 -4.345 1.00 0.00 O ATOM 1112 CB LYS A 72 4.166 -15.847 -2.172 1.00 0.00 C ATOM 1113 CG LYS A 72 4.662 -16.956 -3.065 1.00 0.00 C ATOM 1114 CD LYS A 72 6.167 -17.149 -2.990 1.00 0.00 C ATOM 1115 CE LYS A 72 6.825 -16.914 -4.347 1.00 0.00 C ATOM 1116 NZ LYS A 72 7.622 -18.063 -4.794 1.00 0.00 N ATOM 0 H LYS A 72 2.161 -14.599 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 72 4.841 -13.743 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.763 -15.830 -1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.138 -16.059 -1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.167 -17.887 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.380 -16.739 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.588 -16.462 -2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.389 -18.159 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.055 -16.700 -5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.465 -16.033 -4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.047 -17.852 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.375 -18.253 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.009 -18.899 -4.877 1.00 0.00 H new ATOM 1130 N LYS A 73 4.009 -14.600 -5.261 1.00 0.00 N ATOM 1131 CA LYS A 73 4.509 -14.728 -6.674 1.00 0.00 C ATOM 1132 C LYS A 73 5.152 -13.395 -7.121 1.00 0.00 C ATOM 1133 O LYS A 73 6.094 -13.420 -7.936 1.00 0.00 O ATOM 1134 CB LYS A 73 3.322 -15.037 -7.597 1.00 0.00 C ATOM 1135 CG LYS A 73 2.561 -13.831 -8.070 1.00 0.00 C ATOM 1136 CD LYS A 73 3.094 -13.412 -9.443 1.00 0.00 C ATOM 1137 CE LYS A 73 3.317 -14.588 -10.366 1.00 0.00 C ATOM 1138 NZ LYS A 73 2.188 -15.510 -10.374 1.00 0.00 N ATOM 0 H LYS A 73 2.995 -14.541 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 73 5.248 -15.527 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.689 -15.582 -8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.634 -15.700 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.497 -14.058 -8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.671 -13.013 -7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.390 -12.721 -9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.033 -12.873 -9.315 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.492 -14.224 -11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.216 -15.122 -10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.976 -15.790 -11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.426 -16.355 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.356 -15.044 -9.959 1.00 0.00 H new ATOM 1152 N TYR A 74 4.683 -12.307 -6.578 1.00 0.00 N ATOM 1153 CA TYR A 74 5.262 -11.021 -6.897 1.00 0.00 C ATOM 1154 C TYR A 74 6.550 -10.708 -6.125 1.00 0.00 C ATOM 1155 O TYR A 74 7.505 -10.252 -6.695 1.00 0.00 O ATOM 1156 CB TYR A 74 4.214 -9.874 -6.642 1.00 0.00 C ATOM 1157 CG TYR A 74 3.430 -9.502 -7.858 1.00 0.00 C ATOM 1158 CD1 TYR A 74 2.439 -10.344 -8.345 1.00 0.00 C ATOM 1159 CD2 TYR A 74 3.646 -8.341 -8.507 1.00 0.00 C ATOM 1160 CE1 TYR A 74 1.685 -10.041 -9.442 1.00 0.00 C ATOM 1161 CE2 TYR A 74 2.879 -7.958 -9.606 1.00 0.00 C ATOM 1162 CZ TYR A 74 1.904 -8.798 -10.096 1.00 0.00 C ATOM 1163 OH TYR A 74 1.193 -8.459 -11.202 1.00 0.00 O ATOM 0 H TYR A 74 3.907 -12.278 -5.916 1.00 0.00 H new ATOM 0 HA TYR A 74 5.532 -11.072 -7.952 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.526 -10.189 -5.858 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.736 -8.992 -6.272 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.257 -11.278 -7.834 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.436 -7.689 -8.166 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.938 -10.731 -9.805 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.050 -7.000 -10.074 1.00 0.00 H new ATOM 0 HH TYR A 74 1.475 -7.574 -11.514 1.00 0.00 H new ATOM 1173 N ILE A 75 6.490 -11.020 -4.806 1.00 0.00 N ATOM 1174 CA ILE A 75 7.674 -10.841 -3.959 1.00 0.00 C ATOM 1175 C ILE A 75 7.952 -12.041 -3.083 1.00 0.00 C ATOM 1176 O ILE A 75 7.576 -12.067 -1.904 1.00 0.00 O ATOM 1177 CB ILE A 75 7.455 -9.598 -3.072 1.00 0.00 C ATOM 1178 CG1 ILE A 75 7.524 -8.293 -3.849 1.00 0.00 C ATOM 1179 CG2 ILE A 75 8.502 -9.603 -1.945 1.00 0.00 C ATOM 1180 CD1 ILE A 75 8.576 -8.344 -4.944 1.00 0.00 C ATOM 0 H ILE A 75 5.664 -11.382 -4.329 1.00 0.00 H new ATOM 0 HA ILE A 75 8.539 -10.717 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 75 6.447 -9.655 -2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.550 -8.081 -4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.750 -7.474 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.358 -8.729 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.389 -10.508 -1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.502 -9.576 -2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.594 -7.393 -5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.554 -8.530 -4.500 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.336 -9.146 -5.642 1.00 0.00 H new ATOM 1192 N PRO A 76 8.544 -13.092 -3.685 1.00 0.00 N ATOM 1193 CA PRO A 76 8.868 -14.334 -2.975 1.00 0.00 C ATOM 1194 C PRO A 76 9.742 -14.131 -1.743 1.00 0.00 C ATOM 1195 O PRO A 76 10.763 -13.344 -1.786 1.00 0.00 O ATOM 1196 CB PRO A 76 9.622 -15.151 -3.981 1.00 0.00 C ATOM 1197 CG PRO A 76 9.221 -14.575 -5.362 1.00 0.00 C ATOM 1198 CD PRO A 76 8.983 -13.126 -5.088 1.00 0.00 C ATOM 0 HA PRO A 76 7.954 -14.799 -2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.698 -15.076 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.361 -16.207 -3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.011 -14.718 -6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.327 -15.060 -5.754 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.889 -12.539 -5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.224 -12.714 -5.753 1.00 0.00 H new ATOM 1206 N GLY A 77 9.426 -14.727 -0.640 1.00 0.00 N ATOM 1207 CA GLY A 77 10.200 -14.567 0.577 1.00 0.00 C ATOM 1208 C GLY A 77 9.528 -13.710 1.628 1.00 0.00 C ATOM 1209 O GLY A 77 9.826 -13.682 2.793 1.00 0.00 O ATOM 0 H GLY A 77 8.621 -15.346 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.400 -15.552 1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.165 -14.126 0.326 1.00 0.00 H new ATOM 1213 N THR A 78 8.491 -12.913 1.150 1.00 0.00 N ATOM 1214 CA THR A 78 7.780 -12.033 2.044 1.00 0.00 C ATOM 1215 C THR A 78 6.405 -12.653 2.458 1.00 0.00 C ATOM 1216 O THR A 78 5.623 -13.058 1.599 1.00 0.00 O ATOM 1217 CB THR A 78 7.559 -10.660 1.418 1.00 0.00 C ATOM 1218 OG1 THR A 78 7.877 -9.596 2.287 1.00 0.00 O ATOM 1219 CG2 THR A 78 6.138 -10.451 0.945 1.00 0.00 C ATOM 0 H THR A 78 8.173 -12.894 0.181 1.00 0.00 H new ATOM 0 HA THR A 78 8.397 -11.909 2.934 1.00 0.00 H new ATOM 0 HB THR A 78 8.239 -10.651 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.082 -9.345 2.801 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.042 -9.457 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.890 -11.202 0.194 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.456 -10.544 1.790 1.00 0.00 H new ATOM 1227 N LYS A 79 6.180 -12.708 3.734 1.00 0.00 N ATOM 1228 CA LYS A 79 4.937 -13.241 4.255 1.00 0.00 C ATOM 1229 C LYS A 79 4.016 -12.185 4.810 1.00 0.00 C ATOM 1230 O LYS A 79 4.485 -11.198 5.432 1.00 0.00 O ATOM 1231 CB LYS A 79 5.220 -14.288 5.345 1.00 0.00 C ATOM 1232 CG LYS A 79 4.091 -15.334 5.538 1.00 0.00 C ATOM 1233 CD LYS A 79 3.482 -15.688 4.215 1.00 0.00 C ATOM 1234 CE LYS A 79 4.577 -16.105 3.188 1.00 0.00 C ATOM 1235 NZ LYS A 79 5.452 -17.204 3.718 1.00 0.00 N ATOM 0 H LYS A 79 6.838 -12.391 4.446 1.00 0.00 H new ATOM 0 HA LYS A 79 4.428 -13.699 3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.144 -14.810 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.387 -13.773 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.492 -16.229 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.326 -14.935 6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.771 -16.504 4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.922 -14.836 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.102 -16.433 2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.191 -15.239 2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.807 -17.777 2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.255 -16.790 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.901 -17.807 4.362 1.00 0.00 H new ATOM 1249 N MET A 80 2.765 -12.268 4.635 1.00 0.00 N ATOM 1250 CA MET A 80 1.847 -11.278 5.128 1.00 0.00 C ATOM 1251 C MET A 80 1.103 -11.792 6.369 1.00 0.00 C ATOM 1252 O MET A 80 0.308 -12.725 6.317 1.00 0.00 O ATOM 1253 CB MET A 80 0.827 -10.852 4.078 1.00 0.00 C ATOM 1254 CG MET A 80 0.099 -9.529 4.373 1.00 0.00 C ATOM 1255 SD MET A 80 1.024 -8.138 3.717 1.00 0.00 S ATOM 1256 CE MET A 80 1.435 -8.726 2.100 1.00 0.00 C ATOM 0 H MET A 80 2.317 -13.036 4.136 1.00 0.00 H new ATOM 0 HA MET A 80 2.449 -10.408 5.389 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.334 -10.763 3.117 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.084 -11.642 3.975 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.898 -9.550 3.932 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.031 -9.411 5.449 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.476 -7.886 1.407 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.406 -9.221 2.129 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.677 -9.434 1.767 1.00 0.00 H new ATOM 1266 N ILE A 81 1.427 -11.177 7.532 1.00 0.00 N ATOM 1267 CA ILE A 81 0.821 -11.497 8.831 1.00 0.00 C ATOM 1268 C ILE A 81 -0.210 -10.523 9.277 1.00 0.00 C ATOM 1269 O ILE A 81 0.136 -9.342 9.345 1.00 0.00 O ATOM 1270 CB ILE A 81 1.757 -11.554 9.938 1.00 0.00 C ATOM 1271 CG1 ILE A 81 2.770 -12.648 9.594 1.00 0.00 C ATOM 1272 CG2 ILE A 81 1.166 -11.801 11.314 1.00 0.00 C ATOM 1273 CD1 ILE A 81 3.914 -12.161 8.741 1.00 0.00 C ATOM 0 H ILE A 81 2.126 -10.436 7.586 1.00 0.00 H new ATOM 0 HA ILE A 81 0.393 -12.477 8.621 1.00 0.00 H new ATOM 0 HB ILE A 81 2.198 -10.562 10.034 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.169 -13.067 10.518 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.257 -13.456 9.073 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.965 -11.822 12.055 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.466 -11.002 11.558 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.642 -12.757 11.319 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.593 -12.989 8.536 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.526 -11.769 7.801 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.451 -11.373 9.269 1.00 0.00 H new ATOM 1285 N PHE A 82 -1.538 -10.898 9.716 1.00 0.00 N ATOM 1286 CA PHE A 82 -2.613 -10.033 10.212 1.00 0.00 C ATOM 1287 C PHE A 82 -3.482 -9.618 9.021 1.00 0.00 C ATOM 1288 O PHE A 82 -3.128 -9.775 7.862 1.00 0.00 O ATOM 1289 CB PHE A 82 -2.051 -8.791 10.888 1.00 0.00 C ATOM 1290 CG PHE A 82 -2.973 -8.199 11.884 1.00 0.00 C ATOM 1291 CD1 PHE A 82 -3.050 -8.600 13.210 1.00 0.00 C ATOM 1292 CD2 PHE A 82 -3.799 -7.125 11.476 1.00 0.00 C ATOM 1293 CE1 PHE A 82 -3.886 -8.021 14.115 1.00 0.00 C ATOM 1294 CE2 PHE A 82 -4.702 -6.557 12.361 1.00 0.00 C ATOM 1295 CZ PHE A 82 -4.709 -6.978 13.683 1.00 0.00 C ATOM 0 H PHE A 82 -1.829 -11.876 9.704 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.201 -10.579 10.950 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.112 -9.046 11.379 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.820 -8.045 10.128 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.417 -9.410 13.540 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.725 -6.745 10.468 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.912 -8.359 15.140 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.391 -5.796 12.026 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.363 -6.490 14.391 1.00 0.00 H new ATOM 1305 N ALA A 83 -4.682 -9.080 9.314 1.00 0.00 N ATOM 1306 CA ALA A 83 -5.597 -8.585 8.297 1.00 0.00 C ATOM 1307 C ALA A 83 -7.041 -8.837 8.667 1.00 0.00 C ATOM 1308 O ALA A 83 -7.573 -9.906 8.378 1.00 0.00 O ATOM 1309 CB ALA A 83 -5.280 -9.241 6.939 1.00 0.00 C ATOM 0 H ALA A 83 -5.034 -8.982 10.266 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.458 -7.506 8.225 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.970 -8.865 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.257 -9.001 6.649 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.389 -10.322 7.023 1.00 0.00 H new ATOM 1315 N GLY A 84 -7.643 -7.881 9.366 1.00 0.00 N ATOM 1316 CA GLY A 84 -9.023 -8.045 9.823 1.00 0.00 C ATOM 1317 C GLY A 84 -10.012 -7.741 8.717 1.00 0.00 C ATOM 1318 O GLY A 84 -11.201 -7.547 8.942 1.00 0.00 O ATOM 0 H GLY A 84 -7.207 -6.996 9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.172 -9.065 10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.208 -7.385 10.670 1.00 0.00 H new ATOM 1322 N ILE A 85 -9.490 -7.697 7.495 1.00 0.00 N ATOM 1323 CA ILE A 85 -10.362 -7.392 6.306 1.00 0.00 C ATOM 1324 C ILE A 85 -10.102 -8.374 5.220 1.00 0.00 C ATOM 1325 O ILE A 85 -8.984 -8.869 5.025 1.00 0.00 O ATOM 1326 CB ILE A 85 -10.108 -5.983 5.800 1.00 0.00 C ATOM 1327 CG1 ILE A 85 -10.477 -4.955 6.875 1.00 0.00 C ATOM 1328 CG2 ILE A 85 -10.974 -5.739 4.552 1.00 0.00 C ATOM 1329 CD1 ILE A 85 -11.693 -4.149 6.579 1.00 0.00 C ATOM 0 H ILE A 85 -8.506 -7.859 7.279 1.00 0.00 H new ATOM 0 HA ILE A 85 -11.404 -7.466 6.616 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.051 -5.876 5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.626 -5.477 7.820 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.634 -4.278 7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.800 -4.729 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.710 -6.461 3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -12.026 -5.853 4.811 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.874 -3.450 7.396 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.545 -3.594 5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.552 -4.812 6.472 1.00 0.00 H new ATOM 1341 N LYS A 86 -11.124 -8.722 4.453 1.00 0.00 N ATOM 1342 CA LYS A 86 -11.040 -9.654 3.341 1.00 0.00 C ATOM 1343 C LYS A 86 -12.040 -9.317 2.244 1.00 0.00 C ATOM 1344 O LYS A 86 -11.688 -9.368 1.044 1.00 0.00 O ATOM 1345 CB LYS A 86 -11.263 -11.085 3.831 1.00 0.00 C ATOM 1346 CG LYS A 86 -12.220 -11.174 4.978 1.00 0.00 C ATOM 1347 CD LYS A 86 -11.518 -11.781 6.200 1.00 0.00 C ATOM 1348 CE LYS A 86 -12.230 -11.325 7.524 1.00 0.00 C ATOM 1349 NZ LYS A 86 -11.268 -11.355 8.644 1.00 0.00 N ATOM 0 H LYS A 86 -12.064 -8.351 4.593 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.040 -9.569 2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.638 -11.690 3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.306 -11.513 4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.601 -10.182 5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.078 -11.786 4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.528 -12.869 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.473 -11.473 6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.632 -10.319 7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.073 -11.981 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.743 -11.053 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.905 -12.322 8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.477 -10.711 8.440 1.00 0.00 H new ATOM 1363 N LYS A 87 -13.233 -8.892 2.637 1.00 0.00 N ATOM 1364 CA LYS A 87 -14.286 -8.563 1.679 1.00 0.00 C ATOM 1365 C LYS A 87 -13.671 -7.849 0.501 1.00 0.00 C ATOM 1366 O LYS A 87 -13.134 -6.742 0.587 1.00 0.00 O ATOM 1367 CB LYS A 87 -15.283 -7.645 2.373 1.00 0.00 C ATOM 1368 CG LYS A 87 -16.707 -8.157 2.249 1.00 0.00 C ATOM 1369 CD LYS A 87 -17.278 -8.567 3.630 1.00 0.00 C ATOM 1370 CE LYS A 87 -18.551 -9.398 3.441 1.00 0.00 C ATOM 1371 NZ LYS A 87 -18.376 -10.550 2.526 1.00 0.00 N ATOM 0 H LYS A 87 -13.499 -8.766 3.614 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.788 -9.465 1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.020 -7.555 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.218 -6.646 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.337 -7.385 1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.731 -9.013 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.536 -9.143 4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.498 -7.678 4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.884 -9.763 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.341 -8.754 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.110 -11.261 2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.457 -10.226 1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.437 -10.972 2.675 1.00 0.00 H new ATOM 1385 N LYS A 88 -13.810 -8.473 -0.664 1.00 0.00 N ATOM 1386 CA LYS A 88 -13.300 -7.922 -1.947 1.00 0.00 C ATOM 1387 C LYS A 88 -13.744 -6.439 -2.084 1.00 0.00 C ATOM 1388 O LYS A 88 -13.022 -5.597 -2.533 1.00 0.00 O ATOM 1389 CB LYS A 88 -13.799 -8.731 -3.143 1.00 0.00 C ATOM 1390 CG LYS A 88 -13.306 -8.153 -4.467 1.00 0.00 C ATOM 1391 CD LYS A 88 -13.575 -9.123 -5.622 1.00 0.00 C ATOM 1392 CE LYS A 88 -13.663 -10.591 -5.022 1.00 0.00 C ATOM 1393 NZ LYS A 88 -14.874 -10.761 -4.242 1.00 0.00 N ATOM 0 H LYS A 88 -14.277 -9.375 -0.762 1.00 0.00 H new ATOM 0 HA LYS A 88 -12.212 -7.984 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.461 -9.763 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.889 -8.751 -3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.804 -7.203 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.238 -7.946 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -14.504 -8.863 -6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.779 -9.062 -6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.642 -11.321 -5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.792 -10.785 -4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.630 -10.837 -3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.498 -9.942 -4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.364 -11.627 -4.545 1.00 0.00 H new ATOM 1407 N THR A 89 -15.009 -6.158 -1.681 1.00 0.00 N ATOM 1408 CA THR A 89 -15.541 -4.858 -1.762 1.00 0.00 C ATOM 1409 C THR A 89 -14.845 -3.873 -0.794 1.00 0.00 C ATOM 1410 O THR A 89 -14.762 -2.710 -1.040 1.00 0.00 O ATOM 1411 CB THR A 89 -17.075 -4.880 -1.488 1.00 0.00 C ATOM 1412 OG1 THR A 89 -17.304 -4.759 -0.100 1.00 0.00 O ATOM 1413 CG2 THR A 89 -17.741 -6.124 -1.952 1.00 0.00 C ATOM 0 H THR A 89 -15.651 -6.852 -1.299 1.00 0.00 H new ATOM 0 HA THR A 89 -15.357 -4.503 -2.776 1.00 0.00 H new ATOM 0 HB THR A 89 -17.498 -4.046 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 89 -18.268 -4.771 0.075 1.00 0.00 H new ATOM 0 HG21 THR A 89 -18.807 -6.071 -1.729 1.00 0.00 H new ATOM 0 HG22 THR A 89 -17.600 -6.233 -3.027 1.00 0.00 H new ATOM 0 HG23 THR A 89 -17.306 -6.982 -1.440 1.00 0.00 H new ATOM 1421 N GLU A 90 -14.397 -4.448 0.313 1.00 0.00 N ATOM 1422 CA GLU A 90 -13.748 -3.662 1.356 1.00 0.00 C ATOM 1423 C GLU A 90 -12.305 -3.292 0.912 1.00 0.00 C ATOM 1424 O GLU A 90 -11.907 -2.149 0.960 1.00 0.00 O ATOM 1425 CB GLU A 90 -13.655 -4.392 2.669 1.00 0.00 C ATOM 1426 CG GLU A 90 -15.052 -4.876 3.147 1.00 0.00 C ATOM 1427 CD GLU A 90 -15.618 -3.944 4.180 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -16.146 -2.895 3.811 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -15.560 -4.272 5.383 1.00 0.00 O ATOM 0 H GLU A 90 -14.469 -5.446 0.513 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.364 -2.774 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.987 -5.247 2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.218 -3.736 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.731 -4.938 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.971 -5.880 3.563 1.00 0.00 H new ATOM 1436 N ARG A 91 -11.624 -4.278 0.384 1.00 0.00 N ATOM 1437 CA ARG A 91 -10.245 -4.139 -0.089 1.00 0.00 C ATOM 1438 C ARG A 91 -10.216 -3.149 -1.287 1.00 0.00 C ATOM 1439 O ARG A 91 -9.466 -2.145 -1.307 1.00 0.00 O ATOM 1440 CB ARG A 91 -9.515 -5.377 -0.539 1.00 0.00 C ATOM 1441 CG ARG A 91 -9.157 -6.300 0.596 1.00 0.00 C ATOM 1442 CD ARG A 91 -7.798 -6.930 0.323 1.00 0.00 C ATOM 1443 NE ARG A 91 -7.815 -8.412 0.485 1.00 0.00 N ATOM 1444 CZ ARG A 91 -7.048 -9.222 -0.154 1.00 0.00 C ATOM 1445 NH1 ARG A 91 -6.133 -8.793 -0.967 1.00 0.00 N ATOM 1446 NH2 ARG A 91 -7.118 -10.545 0.088 1.00 0.00 N ATOM 0 H ARG A 91 -12.005 -5.216 0.263 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.720 -3.803 0.805 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.135 -5.916 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.604 -5.084 -1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.132 -5.747 1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.915 -7.076 0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.483 -6.682 -0.690 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.059 -6.502 1.001 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.480 -8.810 1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.009 -7.791 -1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.538 -9.458 -1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.779 -10.903 0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.510 -11.189 -0.418 1.00 0.00 H new ATOM 1460 N GLU A 92 -11.068 -3.398 -2.276 1.00 0.00 N ATOM 1461 CA GLU A 92 -11.144 -2.542 -3.453 1.00 0.00 C ATOM 1462 C GLU A 92 -11.485 -1.071 -3.073 1.00 0.00 C ATOM 1463 O GLU A 92 -10.946 -0.114 -3.633 1.00 0.00 O ATOM 1464 CB GLU A 92 -12.207 -3.036 -4.450 1.00 0.00 C ATOM 1465 CG GLU A 92 -12.112 -2.393 -5.822 1.00 0.00 C ATOM 1466 CD GLU A 92 -10.816 -2.721 -6.526 1.00 0.00 C ATOM 1467 OE1 GLU A 92 -10.047 -3.557 -6.032 1.00 0.00 O ATOM 1468 OE2 GLU A 92 -10.580 -2.039 -7.585 1.00 0.00 O ATOM 0 H GLU A 92 -11.716 -4.186 -2.285 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.159 -2.584 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.114 -4.117 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.197 -2.841 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.949 -2.727 -6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.203 -1.312 -5.720 1.00 0.00 H new ATOM 1475 N ASP A 93 -12.416 -0.936 -2.077 1.00 0.00 N ATOM 1476 CA ASP A 93 -12.830 0.373 -1.658 1.00 0.00 C ATOM 1477 C ASP A 93 -11.627 1.178 -1.116 1.00 0.00 C ATOM 1478 O ASP A 93 -11.430 2.372 -1.448 1.00 0.00 O ATOM 1479 CB ASP A 93 -13.855 0.243 -0.508 1.00 0.00 C ATOM 1480 CG ASP A 93 -14.101 1.571 0.286 1.00 0.00 C ATOM 1481 OD1 ASP A 93 -14.551 1.520 1.418 1.00 0.00 O ATOM 1482 OD2 ASP A 93 -13.792 2.641 -0.321 1.00 0.00 O ATOM 0 H ASP A 93 -12.861 -1.711 -1.585 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.263 0.883 -2.519 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.804 -0.102 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.510 -0.524 0.186 1.00 0.00 H new ATOM 1487 N GLY A 94 -10.823 0.486 -0.278 1.00 0.00 N ATOM 1488 CA GLY A 94 -9.608 1.168 0.254 1.00 0.00 C ATOM 1489 C GLY A 94 -8.665 1.647 -0.796 1.00 0.00 C ATOM 1490 O GLY A 94 -8.037 2.670 -0.689 1.00 0.00 O ATOM 0 H GLY A 94 -10.970 -0.475 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.919 2.018 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.079 0.481 0.914 1.00 0.00 H new ATOM 1494 N ILE A 95 -8.608 0.857 -1.908 1.00 0.00 N ATOM 1495 CA ILE A 95 -7.723 1.144 -3.014 1.00 0.00 C ATOM 1496 C ILE A 95 -8.121 2.535 -3.648 1.00 0.00 C ATOM 1497 O ILE A 95 -7.275 3.310 -4.042 1.00 0.00 O ATOM 1498 CB ILE A 95 -7.771 0.067 -4.066 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -6.634 -0.949 -3.785 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -7.599 0.644 -5.464 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -6.503 -1.997 -4.890 1.00 0.00 C ATOM 0 H ILE A 95 -9.177 0.020 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.702 1.182 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.745 -0.420 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.690 -0.414 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.823 -1.448 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.639 -0.161 -6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.399 1.357 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.636 1.150 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.693 -2.684 -4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.437 -2.553 -4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.286 -1.502 -5.837 1.00 0.00 H new ATOM 1513 N ALA A 96 -9.427 2.766 -3.745 1.00 0.00 N ATOM 1514 CA ALA A 96 -9.963 4.001 -4.292 1.00 0.00 C ATOM 1515 C ALA A 96 -9.377 5.159 -3.541 1.00 0.00 C ATOM 1516 O ALA A 96 -8.882 6.151 -4.116 1.00 0.00 O ATOM 1517 CB ALA A 96 -11.461 3.985 -4.279 1.00 0.00 C ATOM 0 H ALA A 96 -10.140 2.101 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.679 4.105 -5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.838 4.920 -4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.821 3.150 -4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.815 3.873 -3.254 1.00 0.00 H new ATOM 1523 N TYR A 97 -9.485 5.120 -2.204 1.00 0.00 N ATOM 1524 CA TYR A 97 -8.968 6.152 -1.365 1.00 0.00 C ATOM 1525 C TYR A 97 -7.472 6.310 -1.601 1.00 0.00 C ATOM 1526 O TYR A 97 -6.937 7.460 -1.617 1.00 0.00 O ATOM 1527 CB TYR A 97 -9.265 5.868 0.119 1.00 0.00 C ATOM 1528 CG TYR A 97 -8.425 6.742 1.055 1.00 0.00 C ATOM 1529 CD1 TYR A 97 -7.901 6.174 2.221 1.00 0.00 C ATOM 1530 CD2 TYR A 97 -8.293 8.065 0.822 1.00 0.00 C ATOM 1531 CE1 TYR A 97 -7.158 6.976 3.075 1.00 0.00 C ATOM 1532 CE2 TYR A 97 -7.583 8.865 1.697 1.00 0.00 C ATOM 1533 CZ TYR A 97 -7.007 8.306 2.837 1.00 0.00 C ATOM 1534 OH TYR A 97 -6.326 9.118 3.683 1.00 0.00 O ATOM 0 H TYR A 97 -9.938 4.360 -1.697 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.465 7.087 -1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.323 6.041 0.315 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.069 4.817 0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.071 5.133 2.452 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.746 8.502 -0.056 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.691 6.536 3.944 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.475 9.921 1.498 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.331 10.033 3.333 1.00 0.00 H new ATOM 1544 N LEU A 98 -6.791 5.225 -1.830 1.00 0.00 N ATOM 1545 CA LEU A 98 -5.330 5.181 -2.084 1.00 0.00 C ATOM 1546 C LEU A 98 -5.058 5.967 -3.361 1.00 0.00 C ATOM 1547 O LEU A 98 -3.999 6.592 -3.478 1.00 0.00 O ATOM 1548 CB LEU A 98 -4.819 3.768 -2.167 1.00 0.00 C ATOM 1549 CG LEU A 98 -3.603 3.432 -1.277 1.00 0.00 C ATOM 1550 CD1 LEU A 98 -3.398 1.948 -1.250 1.00 0.00 C ATOM 1551 CD2 LEU A 98 -2.399 4.136 -1.853 1.00 0.00 C ATOM 0 H LEU A 98 -7.226 4.303 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.792 5.635 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.633 3.093 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.554 3.559 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.763 3.766 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.540 1.711 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.288 1.465 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.217 1.587 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.523 3.916 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.228 3.789 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.575 5.212 -1.860 1.00 0.00 H new ATOM 1563 N LYS A 99 -5.927 5.826 -4.353 1.00 0.00 N ATOM 1564 CA LYS A 99 -5.702 6.508 -5.623 1.00 0.00 C ATOM 1565 C LYS A 99 -5.604 8.021 -5.444 1.00 0.00 C ATOM 1566 O LYS A 99 -4.743 8.631 -6.059 1.00 0.00 O ATOM 1567 CB LYS A 99 -6.874 6.153 -6.549 1.00 0.00 C ATOM 1568 CG LYS A 99 -7.252 4.721 -6.618 1.00 0.00 C ATOM 1569 CD LYS A 99 -6.056 3.875 -7.023 1.00 0.00 C ATOM 1570 CE LYS A 99 -5.223 3.425 -5.811 1.00 0.00 C ATOM 1571 NZ LYS A 99 -5.303 1.914 -5.615 1.00 0.00 N ATOM 0 H LYS A 99 -6.775 5.260 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.753 6.183 -6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.747 6.721 -6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.627 6.490 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.628 4.391 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.061 4.586 -7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.402 2.998 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.424 4.445 -7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.183 3.721 -5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.580 3.930 -4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.607 1.706 -4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.989 1.513 -6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.367 1.492 -5.783 1.00 0.00 H new ATOM 1585 N LYS A 100 -6.446 8.557 -4.622 1.00 0.00 N ATOM 1586 CA LYS A 100 -6.424 9.980 -4.340 1.00 0.00 C ATOM 1587 C LYS A 100 -5.282 10.351 -3.415 1.00 0.00 C ATOM 1588 O LYS A 100 -4.631 11.407 -3.560 1.00 0.00 O ATOM 1589 CB LYS A 100 -7.751 10.469 -3.758 1.00 0.00 C ATOM 1590 CG LYS A 100 -7.612 11.352 -2.545 1.00 0.00 C ATOM 1591 CD LYS A 100 -8.953 11.686 -1.896 1.00 0.00 C ATOM 1592 CE LYS A 100 -9.968 12.137 -2.933 1.00 0.00 C ATOM 1593 NZ LYS A 100 -9.726 13.508 -3.395 1.00 0.00 N ATOM 0 H LYS A 100 -7.168 8.037 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.269 10.480 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.293 11.016 -4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.359 9.603 -3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.973 10.857 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.112 12.277 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.333 10.811 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.815 12.471 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.938 11.459 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.970 12.071 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.825 13.548 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.417 14.149 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.764 13.800 -3.128 1.00 0.00 H new ATOM 1607 N ALA A 101 -5.051 9.477 -2.438 1.00 0.00 N ATOM 1608 CA ALA A 101 -4.038 9.632 -1.398 1.00 0.00 C ATOM 1609 C ALA A 101 -2.679 9.741 -2.057 1.00 0.00 C ATOM 1610 O ALA A 101 -1.753 10.368 -1.498 1.00 0.00 O ATOM 1611 CB ALA A 101 -4.022 8.452 -0.468 1.00 0.00 C ATOM 0 H ALA A 101 -5.583 8.611 -2.346 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.272 10.527 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.257 8.600 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.996 8.353 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.801 7.546 -1.033 1.00 0.00 H new ATOM 1617 N THR A 102 -2.530 9.191 -3.272 1.00 0.00 N ATOM 1618 CA THR A 102 -1.276 9.318 -3.984 1.00 0.00 C ATOM 1619 C THR A 102 -1.475 10.344 -5.029 1.00 0.00 C ATOM 1620 O THR A 102 -0.472 11.024 -5.477 1.00 0.00 O ATOM 1621 CB THR A 102 -0.882 7.945 -4.635 1.00 0.00 C ATOM 1622 OG1 THR A 102 0.041 8.130 -5.693 1.00 0.00 O ATOM 1623 CG2 THR A 102 -2.101 7.233 -5.182 1.00 0.00 C ATOM 0 H THR A 102 -3.254 8.667 -3.763 1.00 0.00 H new ATOM 0 HA THR A 102 -0.471 9.606 -3.308 1.00 0.00 H new ATOM 0 HB THR A 102 -0.425 7.341 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.116 7.301 -6.211 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.799 6.285 -5.627 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.807 7.046 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.576 7.855 -5.941 1.00 0.00 H new ATOM 1631 N ASN A 103 -2.691 10.608 -5.380 1.00 0.00 N ATOM 1632 CA ASN A 103 -3.052 11.628 -6.329 1.00 0.00 C ATOM 1633 C ASN A 103 -4.523 12.101 -6.101 1.00 0.00 C ATOM 1634 O ASN A 103 -5.434 11.330 -6.412 1.00 0.00 O ATOM 1635 CB ASN A 103 -2.890 11.151 -7.769 1.00 0.00 C ATOM 1636 CG ASN A 103 -1.841 10.065 -7.887 1.00 0.00 C ATOM 1637 OD1 ASN A 103 -2.219 8.818 -7.613 1.00 0.00 O flip ATOM 1638 ND2 ASN A 103 -0.684 10.326 -8.195 1.00 0.00 N flip ATOM 0 H ASN A 103 -3.495 10.105 -5.004 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.372 12.464 -6.168 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.845 10.776 -8.137 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.613 11.994 -8.402 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.416 11.288 -8.401 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.011 9.581 -8.245 1.00 0.00 H new ATOM 1645 N GLU A 104 -4.691 13.317 -5.607 1.00 0.00 N ATOM 1646 CA GLU A 104 -6.010 13.894 -5.373 1.00 0.00 C ATOM 1647 C GLU A 104 -5.927 14.918 -4.243 1.00 0.00 C ATOM 1648 O GLU A 104 -6.312 16.055 -4.490 1.00 0.00 O ATOM 1649 CB GLU A 104 -6.986 12.791 -5.007 1.00 0.00 C ATOM 1650 CG GLU A 104 -7.686 12.185 -6.181 1.00 0.00 C ATOM 1651 CD GLU A 104 -9.126 12.608 -6.408 1.00 0.00 C ATOM 1652 OE1 GLU A 104 -9.320 13.575 -7.178 1.00 0.00 O ATOM 1653 OE2 GLU A 104 -9.994 12.007 -5.733 1.00 0.00 O ATOM 1654 OXT GLU A 104 -5.537 14.549 -3.115 1.00 0.00 O ATOM 0 H GLU A 104 -3.918 13.934 -5.356 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.358 14.392 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.449 12.007 -4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.731 13.192 -4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.115 12.424 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.663 11.101 -6.069 1.00 0.00 H new TER 1661 GLU A 104 HETATM 1662 FE HEC A 201 1.819 -4.877 3.325 1.00 0.00 FE HETATM 1663 CHA HEC A 201 4.562 -4.949 1.345 1.00 0.00 C HETATM 1664 CHB HEC A 201 0.156 -3.146 1.047 1.00 0.00 C HETATM 1665 CHC HEC A 201 -1.107 -5.731 4.832 1.00 0.00 C HETATM 1666 CHD HEC A 201 3.548 -6.045 5.896 1.00 0.00 C HETATM 1667 NA HEC A 201 2.253 -4.366 1.451 1.00 0.00 N HETATM 1668 C1A HEC A 201 3.514 -4.149 1.000 1.00 0.00 C HETATM 1669 C2A HEC A 201 3.606 -2.965 0.179 1.00 0.00 C HETATM 1670 C3A HEC A 201 2.366 -2.440 0.132 1.00 0.00 C HETATM 1671 C4A HEC A 201 1.510 -3.349 0.933 1.00 0.00 C HETATM 1672 CMA HEC A 201 1.945 -1.203 -0.652 1.00 0.00 C HETATM 1673 CAA HEC A 201 4.878 -2.432 -0.539 1.00 0.00 C HETATM 1674 CBA HEC A 201 4.690 -0.954 -1.003 1.00 0.00 C HETATM 1675 CGA HEC A 201 5.992 -0.384 -1.434 1.00 0.00 C HETATM 1676 O1A HEC A 201 6.216 0.814 -1.161 1.00 0.00 O HETATM 1677 O2A HEC A 201 6.775 -1.141 -1.971 1.00 0.00 O HETATM 1678 NB HEC A 201 -0.106 -4.597 2.949 1.00 0.00 N HETATM 1679 C1B HEC A 201 -0.611 -3.728 2.006 1.00 0.00 C HETATM 1680 C2B HEC A 201 -2.051 -3.468 2.207 1.00 0.00 C HETATM 1681 C3B HEC A 201 -2.393 -4.260 3.374 1.00 0.00 C HETATM 1682 C4B HEC A 201 -1.186 -4.920 3.737 1.00 0.00 C HETATM 1683 CMB HEC A 201 -2.933 -2.609 1.361 1.00 0.00 C HETATM 1684 CAB HEC A 201 -3.778 -4.330 3.923 1.00 0.00 C HETATM 1685 CBB HEC A 201 -4.991 -4.270 2.936 1.00 0.00 C HETATM 1686 NC HEC A 201 1.341 -5.649 5.021 1.00 0.00 N HETATM 1687 C1C HEC A 201 0.057 -6.054 5.445 1.00 0.00 C HETATM 1688 C2C HEC A 201 0.136 -6.843 6.690 1.00 0.00 C HETATM 1689 C3C HEC A 201 1.545 -6.965 6.977 1.00 0.00 C HETATM 1690 C4C HEC A 201 2.159 -6.176 5.988 1.00 0.00 C HETATM 1691 CMC HEC A 201 -1.018 -7.472 7.462 1.00 0.00 C HETATM 1692 CAC HEC A 201 2.122 -7.643 8.099 1.00 0.00 C HETATM 1693 CBC HEC A 201 2.501 -9.086 8.391 1.00 0.00 C HETATM 1694 ND HEC A 201 3.665 -5.422 3.580 1.00 0.00 N HETATM 1695 C1D HEC A 201 4.277 -5.867 4.721 1.00 0.00 C HETATM 1696 C2D HEC A 201 5.662 -6.217 4.570 1.00 0.00 C HETATM 1697 C3D HEC A 201 5.955 -5.908 3.265 1.00 0.00 C HETATM 1698 C4D HEC A 201 4.727 -5.381 2.641 1.00 0.00 C HETATM 1699 CMD HEC A 201 6.578 -6.761 5.629 1.00 0.00 C HETATM 1700 CAD HEC A 201 7.276 -6.046 2.544 1.00 0.00 C HETATM 1701 CBD HEC A 201 7.159 -6.858 1.278 1.00 0.00 C HETATM 1702 CGD HEC A 201 5.753 -7.497 1.162 1.00 0.00 C HETATM 1703 O1D HEC A 201 5.307 -7.586 0.048 1.00 0.00 O HETATM 1704 O2D HEC A 201 5.221 -7.808 2.173 1.00 0.00 O HETATM 0 HMD3 HEC A 201 6.650 -6.047 6.450 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 6.182 -7.705 6.003 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 7.568 -6.926 5.204 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 -1.712 -6.693 7.778 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 -1.539 -8.184 6.822 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 -0.630 -7.989 8.339 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 -2.551 -1.588 1.357 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 -2.947 -2.995 0.342 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 -3.945 -2.617 1.766 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 2.515 -0.341 -0.306 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 2.136 -1.362 -1.713 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 0.882 -1.020 -0.499 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 7.346 -6.221 0.414 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.920 -7.638 1.270 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 1.614 -9.716 8.323 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 3.241 -9.422 7.664 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 2.920 -9.156 9.395 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 -4.964 -3.331 2.383 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 -4.933 -5.104 2.237 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 -5.922 -4.333 3.499 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.976 -0.911 -1.825 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 4.276 -0.359 -0.189 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 7.660 -5.055 2.302 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.002 -6.516 3.208 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 5.733 -2.498 0.134 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 5.102 -3.060 -1.401 1.00 0.00 H new HETATM 0 HHD HEC A 201 4.112 -6.086 6.828 1.00 0.00 H new HETATM 0 HHC HEC A 201 -2.032 -6.142 5.236 1.00 0.00 H new HETATM 0 HHB HEC A 201 -0.329 -2.483 0.330 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.280 -5.251 0.583 1.00 0.00 H new