USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=29 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 110:sc= -0.663 USER MOD Set 1.2: A 103 ASN : amide:sc= -5.03! C(o=-5.7!,f=-4.5!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 162:sc= -2.86! (180deg=-3.33!) USER MOD Set 2.2: A 12 GLN : amide:sc= -0.353 K(o=-3.2,f=-5.9!) 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 13 LYS NZ :NH3+ -172:sc= -1.14 (180deg=-1.28) USER MOD Single : A 16 GLN : amide:sc= -0.137 X(o=-0.14,f=0.0031) USER MOD Single : A 18 HIS : no HE2:sc= -12.6! C(o=-13!,f=-15!) USER MOD Single : A 19 THR OG1 : rot -126:sc= -4.27! USER MOD Single : A 22 LYS NZ :NH3+ -127:sc= -3.67! (180deg=-8.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.153! C(o=0.15!,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= -0.0891 (180deg=-0.758) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 31 ASN : amide:sc= -4.78! C(o=-4.8!,f=-9.9!) USER MOD Single : A 33 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.21) USER MOD Single : A 39 LYS NZ :NH3+ 139:sc= -4.61! (180deg=-8.51!) USER MOD Single : A 40 THR OG1 : rot 46:sc= -3.51! USER MOD Single : A 42 GLN : amide:sc= -14.4! C(o=-14!,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= 0.00759 USER MOD Single : A 52 ASN : amide:sc= -2.18! K(o=-2.2!,f=-0.61) USER MOD Single : A 53 LYS NZ :NH3+ -121:sc= -3.54! (180deg=-8.79!) USER MOD Single : A 54 ASN : amide:sc= -8.62! C(o=-8.6!,f=-3.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 59:sc= 0.171 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 174:sc= -5.21! (180deg=-5.32!) 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= -0.0502 (180deg=-0.0502) USER MOD Single : A 73 LYS NZ :NH3+ 144:sc= -0.48 (180deg=-1.19) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -100:sc= -1.07 USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.0161 (180deg=-0.159) USER MOD Single : A 80 MET CE :methyl -129:sc= -7.59! (180deg=-11.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= -0.189 (180deg=-0.989) USER MOD Single : A 88 LYS NZ :NH3+ -110:sc= -5.31! (180deg=-9.11!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.251 USER MOD Single : A 99 LYS NZ :NH3+ -148:sc= -10.1! (180deg=-11.9!) USER MOD Single : A 100 LYS NZ :NH3+ 131:sc= -4.12! (180deg=-7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.734 4.281 -1.174 1.00 0.00 N ATOM 2 CA GLY A 1 -17.351 4.323 -0.622 1.00 0.00 C ATOM 3 C GLY A 1 -16.838 5.740 -0.450 1.00 0.00 C ATOM 4 O GLY A 1 -16.728 6.489 -1.420 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.039 3.291 -1.273 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.380 4.780 -0.530 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.750 4.743 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.332 3.814 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.682 3.775 -1.285 1.00 0.00 H new ATOM 10 N ASP A 2 -16.471 6.001 0.824 1.00 0.00 N ATOM 11 CA ASP A 2 -15.967 7.337 1.119 1.00 0.00 C ATOM 12 C ASP A 2 -14.525 7.276 1.610 1.00 0.00 C ATOM 13 O ASP A 2 -14.068 6.242 2.099 1.00 0.00 O ATOM 14 CB ASP A 2 -16.847 8.015 2.170 1.00 0.00 C ATOM 15 CG ASP A 2 -18.327 7.799 1.912 1.00 0.00 C ATOM 16 OD1 ASP A 2 -18.680 7.391 0.785 1.00 0.00 O ATOM 17 OD2 ASP A 2 -19.137 8.010 2.893 1.00 0.00 O ATOM 0 H ASP A 2 -16.512 5.349 1.607 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.995 7.922 0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.593 7.628 3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.635 9.084 2.182 1.00 0.00 H new ATOM 22 N VAL A 3 -13.813 8.390 1.477 1.00 0.00 N ATOM 23 CA VAL A 3 -12.420 8.464 1.907 1.00 0.00 C ATOM 24 C VAL A 3 -12.305 8.229 3.467 1.00 0.00 C ATOM 25 O VAL A 3 -11.402 7.537 3.936 1.00 0.00 O ATOM 26 CB VAL A 3 -11.789 9.818 1.537 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.746 10.221 2.569 1.00 0.00 C ATOM 28 CG2 VAL A 3 -11.179 9.759 0.145 1.00 0.00 C ATOM 0 H VAL A 3 -14.177 9.254 1.075 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.875 7.677 1.385 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.573 10.575 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.311 11.181 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.217 10.306 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.962 9.465 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.737 10.725 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.407 8.990 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.955 9.520 -0.582 1.00 0.00 H new ATOM 38 N GLU A 4 -13.221 8.831 4.219 1.00 0.00 N ATOM 39 CA GLU A 4 -13.217 8.709 5.673 1.00 0.00 C ATOM 40 C GLU A 4 -13.334 7.247 6.093 1.00 0.00 C ATOM 41 O GLU A 4 -12.598 6.780 6.964 1.00 0.00 O ATOM 42 CB GLU A 4 -14.362 9.520 6.279 1.00 0.00 C ATOM 43 CG GLU A 4 -14.497 9.353 7.782 1.00 0.00 C ATOM 44 CD GLU A 4 -15.832 9.846 8.307 1.00 0.00 C ATOM 45 OE1 GLU A 4 -16.608 9.018 8.827 1.00 0.00 O ATOM 46 OE2 GLU A 4 -16.100 11.062 8.196 1.00 0.00 O ATOM 0 H GLU A 4 -13.975 9.408 3.846 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.270 9.102 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.209 10.575 6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.297 9.224 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.376 8.301 8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.693 9.897 8.278 1.00 0.00 H new ATOM 53 N LYS A 5 -14.260 6.538 5.474 1.00 0.00 N ATOM 54 CA LYS A 5 -14.473 5.121 5.780 1.00 0.00 C ATOM 55 C LYS A 5 -13.249 4.294 5.403 1.00 0.00 C ATOM 56 O LYS A 5 -12.879 3.356 6.110 1.00 0.00 O ATOM 57 CB LYS A 5 -15.706 4.595 5.040 1.00 0.00 C ATOM 58 CG LYS A 5 -16.962 5.412 5.294 1.00 0.00 C ATOM 59 CD LYS A 5 -18.169 4.520 5.538 1.00 0.00 C ATOM 60 CE LYS A 5 -19.038 4.409 4.296 1.00 0.00 C ATOM 61 NZ LYS A 5 -19.142 3.003 3.815 1.00 0.00 N ATOM 0 H LYS A 5 -14.880 6.913 4.756 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.636 5.028 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.500 4.584 3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.887 3.563 5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.807 6.060 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.154 6.060 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.834 3.527 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.759 4.921 6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -20.035 4.793 4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.623 5.034 3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.743 2.970 2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.194 2.645 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.562 2.411 4.560 1.00 0.00 H new ATOM 75 N GLY A 6 -12.625 4.650 4.285 1.00 0.00 N ATOM 76 CA GLY A 6 -11.448 3.932 3.833 1.00 0.00 C ATOM 77 C GLY A 6 -10.262 3.999 4.784 1.00 0.00 C ATOM 78 O GLY A 6 -9.590 3.068 5.053 1.00 0.00 O ATOM 0 H GLY A 6 -12.913 5.422 3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.714 2.886 3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.144 4.331 2.865 1.00 0.00 H new ATOM 82 N LYS A 7 -10.052 5.166 5.132 1.00 0.00 N ATOM 83 CA LYS A 7 -8.921 5.432 5.964 1.00 0.00 C ATOM 84 C LYS A 7 -9.018 4.658 7.392 1.00 0.00 C ATOM 85 O LYS A 7 -8.003 4.126 7.770 1.00 0.00 O ATOM 86 CB LYS A 7 -8.900 6.945 6.194 1.00 0.00 C ATOM 87 CG LYS A 7 -8.831 7.336 7.662 1.00 0.00 C ATOM 88 CD LYS A 7 -8.092 8.650 7.852 1.00 0.00 C ATOM 89 CE LYS A 7 -6.749 8.645 7.141 1.00 0.00 C ATOM 90 NZ LYS A 7 -5.875 9.759 7.596 1.00 0.00 N ATOM 0 H LYS A 7 -10.620 5.974 4.877 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.011 5.077 5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.043 7.372 5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.794 7.384 5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.840 7.423 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.329 6.550 8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.702 9.469 7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.940 8.832 8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.247 7.694 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.908 8.724 6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.969 9.720 7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.342 10.668 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.702 9.670 8.618 1.00 0.00 H new ATOM 104 N LYS A 8 -10.156 4.458 8.050 1.00 0.00 N ATOM 105 CA LYS A 8 -10.526 3.598 9.170 1.00 0.00 C ATOM 106 C LYS A 8 -10.301 2.129 8.827 1.00 0.00 C ATOM 107 O LYS A 8 -9.830 1.349 9.659 1.00 0.00 O ATOM 108 CB LYS A 8 -11.989 3.826 9.553 1.00 0.00 C ATOM 109 CG LYS A 8 -12.673 2.586 10.108 1.00 0.00 C ATOM 110 CD LYS A 8 -13.404 1.817 9.019 1.00 0.00 C ATOM 111 CE LYS A 8 -13.812 0.433 9.493 1.00 0.00 C ATOM 112 NZ LYS A 8 -12.753 -0.580 9.226 1.00 0.00 N ATOM 0 H LYS A 8 -10.977 4.988 7.756 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.891 3.855 10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.042 4.623 10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.536 4.171 8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.931 1.939 10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.379 2.876 10.886 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.290 2.373 8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.763 1.728 8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.024 0.463 10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.734 0.135 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.920 -1.420 9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.777 -0.851 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.822 -0.177 9.453 1.00 0.00 H new ATOM 126 N ILE A 9 -10.634 1.757 7.596 1.00 0.00 N ATOM 127 CA ILE A 9 -10.465 0.397 7.185 1.00 0.00 C ATOM 128 C ILE A 9 -9.001 -0.024 7.189 1.00 0.00 C ATOM 129 O ILE A 9 -8.678 -1.104 7.660 1.00 0.00 O ATOM 130 CB ILE A 9 -10.999 0.190 5.713 1.00 0.00 C ATOM 131 CG1 ILE A 9 -12.500 -0.105 5.737 1.00 0.00 C ATOM 132 CG2 ILE A 9 -10.245 -0.932 5.014 1.00 0.00 C ATOM 133 CD1 ILE A 9 -13.117 -0.211 4.360 1.00 0.00 C ATOM 0 H ILE A 9 -11.016 2.380 6.885 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.026 -0.207 7.899 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.829 1.109 5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.670 -1.037 6.275 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.008 0.682 6.294 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.631 -1.055 4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.184 -0.685 4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.379 -1.861 5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.182 -0.421 4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.978 0.729 3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.635 -1.017 3.807 1.00 0.00 H new ATOM 145 N PHE A 10 -8.134 0.856 6.696 1.00 0.00 N ATOM 146 CA PHE A 10 -6.696 0.603 6.680 1.00 0.00 C ATOM 147 C PHE A 10 -6.137 0.527 8.095 1.00 0.00 C ATOM 148 O PHE A 10 -5.231 -0.256 8.371 1.00 0.00 O ATOM 149 CB PHE A 10 -5.975 1.704 5.900 1.00 0.00 C ATOM 150 CG PHE A 10 -4.567 1.944 6.366 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.494 1.720 5.519 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.317 2.394 7.655 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.198 1.940 5.946 1.00 0.00 C ATOM 154 CE2 PHE A 10 -3.023 2.614 8.087 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.962 2.387 7.232 1.00 0.00 C ATOM 0 H PHE A 10 -8.404 1.756 6.300 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.529 -0.357 6.191 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.959 1.439 4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.541 2.631 5.988 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.672 1.369 4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.143 2.574 8.328 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.370 1.763 5.275 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.841 2.963 9.093 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.950 2.559 7.568 1.00 0.00 H new ATOM 165 N VAL A 11 -6.687 1.380 8.999 1.00 0.00 N ATOM 166 CA VAL A 11 -6.227 1.431 10.379 1.00 0.00 C ATOM 167 C VAL A 11 -6.215 0.050 11.027 1.00 0.00 C ATOM 168 O VAL A 11 -5.214 -0.343 11.629 1.00 0.00 O ATOM 169 CB VAL A 11 -7.109 2.369 11.226 1.00 0.00 C ATOM 170 CG1 VAL A 11 -6.764 2.237 12.702 1.00 0.00 C ATOM 171 CG2 VAL A 11 -6.957 3.810 10.761 1.00 0.00 C ATOM 0 H VAL A 11 -7.443 2.030 8.782 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.207 1.815 10.349 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.151 2.077 11.093 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.397 2.907 13.285 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.930 1.209 13.024 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.718 2.501 12.856 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.587 4.457 11.371 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.916 4.117 10.862 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.259 3.889 9.717 1.00 0.00 H new ATOM 181 N GLN A 12 -7.316 -0.689 10.917 1.00 0.00 N ATOM 182 CA GLN A 12 -7.379 -2.075 11.544 1.00 0.00 C ATOM 183 C GLN A 12 -6.771 -3.064 10.560 1.00 0.00 C ATOM 184 O GLN A 12 -5.770 -3.733 10.821 1.00 0.00 O ATOM 185 CB GLN A 12 -8.825 -2.460 11.862 1.00 0.00 C ATOM 186 CG GLN A 12 -9.807 -1.308 11.719 1.00 0.00 C ATOM 187 CD GLN A 12 -10.853 -1.314 12.898 1.00 0.00 C ATOM 188 OE1 GLN A 12 -10.619 -1.855 13.898 1.00 0.00 O ATOM 189 NE2 GLN A 12 -11.974 -0.637 12.562 1.00 0.00 N ATOM 0 H GLN A 12 -8.162 -0.398 10.428 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.823 -2.085 12.482 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.130 -3.271 11.201 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.874 -2.844 12.881 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.266 -0.362 11.712 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.328 -1.385 10.765 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.052 -0.204 11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.742 -0.559 13.229 1.00 0.00 H new ATOM 198 N LYS A 13 -7.230 -2.849 9.368 1.00 0.00 N ATOM 199 CA LYS A 13 -6.658 -3.358 8.159 1.00 0.00 C ATOM 200 C LYS A 13 -5.298 -4.077 8.299 1.00 0.00 C ATOM 201 O LYS A 13 -5.114 -5.257 7.870 1.00 0.00 O ATOM 202 CB LYS A 13 -6.501 -2.234 7.140 1.00 0.00 C ATOM 203 CG LYS A 13 -7.153 -2.535 5.797 1.00 0.00 C ATOM 204 CD LYS A 13 -7.361 -4.118 5.554 1.00 0.00 C ATOM 205 CE LYS A 13 -7.711 -4.448 4.112 1.00 0.00 C ATOM 206 NZ LYS A 13 -7.946 -3.220 3.302 1.00 0.00 N ATOM 0 H LYS A 13 -8.061 -2.282 9.202 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.367 -4.120 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.934 -1.321 7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.440 -2.041 6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.119 -2.032 5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.536 -2.125 4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.450 -4.647 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.154 -4.481 6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.903 -5.028 3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.603 -5.074 4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.313 -3.486 2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.639 -2.613 3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.051 -2.702 3.189 1.00 0.00 H new ATOM 220 N CYS A 14 -4.362 -3.366 8.890 1.00 0.00 N ATOM 221 CA CYS A 14 -2.987 -3.740 8.763 1.00 0.00 C ATOM 222 C CYS A 14 -2.017 -2.714 9.165 1.00 0.00 C ATOM 223 O CYS A 14 -0.841 -2.896 8.852 1.00 0.00 O ATOM 224 CB CYS A 14 -2.575 -4.689 7.501 1.00 0.00 C ATOM 225 SG CYS A 14 -3.220 -4.174 5.810 1.00 0.00 S ATOM 0 H CYS A 14 -4.534 -2.535 9.456 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.894 -4.476 9.561 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.487 -4.735 7.451 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.927 -5.700 7.706 1.00 0.00 H new ATOM 230 N ALA A 15 -2.540 -1.494 9.597 1.00 0.00 N ATOM 231 CA ALA A 15 -1.690 -0.312 9.656 1.00 0.00 C ATOM 232 C ALA A 15 -0.456 -0.568 10.515 1.00 0.00 C ATOM 233 O ALA A 15 0.702 -0.005 10.284 1.00 0.00 O ATOM 234 CB ALA A 15 -2.474 0.875 10.194 1.00 0.00 C ATOM 0 H ALA A 15 -3.506 -1.347 9.888 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.356 -0.083 8.644 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.827 1.751 10.233 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.321 1.078 9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.837 0.647 11.196 1.00 0.00 H new ATOM 240 N GLN A 16 -0.596 -1.441 11.504 1.00 0.00 N ATOM 241 CA GLN A 16 0.609 -1.792 12.394 1.00 0.00 C ATOM 242 C GLN A 16 1.827 -2.234 11.587 1.00 0.00 C ATOM 243 O GLN A 16 2.965 -1.939 11.952 1.00 0.00 O ATOM 244 CB GLN A 16 0.199 -2.898 13.369 1.00 0.00 C ATOM 245 CG GLN A 16 -1.403 -2.999 13.551 1.00 0.00 C ATOM 246 CD GLN A 16 -1.776 -3.826 14.766 1.00 0.00 C ATOM 247 OE1 GLN A 16 -2.535 -4.790 14.665 1.00 0.00 O ATOM 248 NE2 GLN A 16 -1.242 -3.452 15.923 1.00 0.00 N ATOM 0 H GLN A 16 -1.465 -1.921 11.739 1.00 0.00 H new ATOM 0 HA GLN A 16 0.900 -0.891 12.934 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.582 -3.854 13.011 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.661 -2.713 14.339 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.822 -1.998 13.649 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.844 -3.443 12.659 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.618 -2.646 15.960 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.456 -3.971 16.775 1.00 0.00 H new ATOM 257 N CYS A 17 1.523 -2.951 10.421 1.00 0.00 N ATOM 258 CA CYS A 17 2.594 -3.431 9.558 1.00 0.00 C ATOM 259 C CYS A 17 3.139 -2.300 8.691 1.00 0.00 C ATOM 260 O CYS A 17 4.256 -2.379 8.179 1.00 0.00 O ATOM 261 CB CYS A 17 2.090 -4.568 8.667 1.00 0.00 C ATOM 262 SG CYS A 17 1.958 -6.072 9.553 1.00 0.00 S ATOM 0 H CYS A 17 0.579 -3.178 10.107 1.00 0.00 H new ATOM 0 HA CYS A 17 3.398 -3.803 10.193 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.117 -4.303 8.253 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.770 -4.700 7.825 1.00 0.00 H new ATOM 267 N HIS A 18 2.340 -1.251 8.529 1.00 0.00 N ATOM 268 CA HIS A 18 2.739 -0.105 7.722 1.00 0.00 C ATOM 269 C HIS A 18 2.958 1.127 8.595 1.00 0.00 C ATOM 270 O HIS A 18 2.938 2.257 8.107 1.00 0.00 O ATOM 271 CB HIS A 18 1.677 0.187 6.659 1.00 0.00 C ATOM 272 CG HIS A 18 1.373 -0.991 5.788 1.00 0.00 C ATOM 273 ND1 HIS A 18 1.468 -0.958 4.413 1.00 0.00 N ATOM 274 CD2 HIS A 18 0.974 -2.246 6.105 1.00 0.00 C ATOM 275 CE1 HIS A 18 1.142 -2.141 3.922 1.00 0.00 C ATOM 276 NE2 HIS A 18 0.838 -2.941 4.928 1.00 0.00 N ATOM 0 H HIS A 18 1.413 -1.171 8.946 1.00 0.00 H new ATOM 0 HA HIS A 18 3.681 -0.347 7.229 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.760 0.513 7.151 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.015 1.014 6.035 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.746 -0.147 3.861 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.796 -2.629 7.099 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.127 -2.408 2.876 1.00 0.00 H new ATOM 284 N THR A 19 3.221 0.912 9.954 1.00 0.00 N ATOM 285 CA THR A 19 3.446 2.000 10.896 1.00 0.00 C ATOM 286 C THR A 19 2.372 3.072 10.761 1.00 0.00 C ATOM 287 O THR A 19 1.706 3.176 9.731 1.00 0.00 O ATOM 288 CB THR A 19 4.829 2.615 10.679 1.00 0.00 C ATOM 289 OG1 THR A 19 5.834 1.621 10.720 1.00 0.00 O ATOM 290 CG2 THR A 19 5.182 3.671 11.705 1.00 0.00 C ATOM 0 H THR A 19 3.273 -0.016 10.375 1.00 0.00 H new ATOM 0 HA THR A 19 3.394 1.588 11.904 1.00 0.00 H new ATOM 0 HB THR A 19 4.783 3.087 9.697 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.517 1.873 11.377 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.175 4.066 11.493 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.453 4.480 11.660 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.172 3.228 12.701 1.00 0.00 H new ATOM 298 N VAL A 20 2.212 3.866 11.811 1.00 0.00 N ATOM 299 CA VAL A 20 1.221 4.936 11.826 1.00 0.00 C ATOM 300 C VAL A 20 1.769 6.205 11.178 1.00 0.00 C ATOM 301 O VAL A 20 2.445 6.147 10.151 1.00 0.00 O ATOM 302 CB VAL A 20 0.664 5.274 13.259 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.691 5.963 13.245 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.617 4.004 14.092 1.00 0.00 C ATOM 0 H VAL A 20 2.759 3.789 12.669 1.00 0.00 H new ATOM 0 HA VAL A 20 0.383 4.554 11.244 1.00 0.00 H new ATOM 0 HB VAL A 20 1.349 5.994 13.707 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.008 6.163 14.268 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.616 6.903 12.698 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.422 5.318 12.758 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.232 4.234 15.085 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.035 3.276 13.609 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.621 3.589 14.180 1.00 0.00 H new ATOM 314 N GLU A 21 1.363 7.367 11.778 1.00 0.00 N ATOM 315 CA GLU A 21 1.916 8.642 11.264 1.00 0.00 C ATOM 316 C GLU A 21 3.431 8.764 11.351 1.00 0.00 C ATOM 317 O GLU A 21 4.057 8.258 12.284 1.00 0.00 O ATOM 318 CB GLU A 21 1.148 9.799 12.023 1.00 0.00 C ATOM 319 CG GLU A 21 0.038 9.344 12.955 1.00 0.00 C ATOM 320 CD GLU A 21 -0.614 10.498 13.690 1.00 0.00 C ATOM 321 OE1 GLU A 21 -1.753 10.325 14.177 1.00 0.00 O ATOM 322 OE2 GLU A 21 0.010 11.575 13.781 1.00 0.00 O ATOM 0 H GLU A 21 0.707 7.441 12.556 1.00 0.00 H new ATOM 0 HA GLU A 21 1.750 8.702 10.188 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.872 10.374 12.601 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.722 10.476 11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.719 8.810 12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.444 8.639 13.680 1.00 0.00 H new ATOM 329 N LYS A 22 4.016 9.442 10.367 1.00 0.00 N ATOM 330 CA LYS A 22 5.460 9.636 10.329 1.00 0.00 C ATOM 331 C LYS A 22 5.961 10.212 11.646 1.00 0.00 C ATOM 332 O LYS A 22 5.538 11.287 12.071 1.00 0.00 O ATOM 333 CB LYS A 22 5.841 10.564 9.174 1.00 0.00 C ATOM 334 CG LYS A 22 7.299 10.451 8.758 1.00 0.00 C ATOM 335 CD LYS A 22 8.229 10.593 9.952 1.00 0.00 C ATOM 336 CE LYS A 22 8.010 11.908 10.678 1.00 0.00 C ATOM 337 NZ LYS A 22 8.787 11.981 11.946 1.00 0.00 N ATOM 0 H LYS A 22 3.512 9.865 9.587 1.00 0.00 H new ATOM 0 HA LYS A 22 5.930 8.665 10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.208 10.340 8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.633 11.594 9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.468 9.488 8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.530 11.221 8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.066 9.765 10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.264 10.530 9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.299 12.734 10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.949 12.030 10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.149 12.223 12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.233 11.060 12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.523 12.711 11.861 1.00 0.00 H new ATOM 351 N GLY A 23 6.862 9.481 12.290 1.00 0.00 N ATOM 352 CA GLY A 23 7.410 9.919 13.558 1.00 0.00 C ATOM 353 C GLY A 23 7.743 8.750 14.462 1.00 0.00 C ATOM 354 O GLY A 23 8.689 8.810 15.248 1.00 0.00 O ATOM 0 H GLY A 23 7.224 8.588 11.954 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.309 10.509 13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.694 10.572 14.057 1.00 0.00 H new ATOM 358 N GLY A 24 6.966 7.677 14.342 1.00 0.00 N ATOM 359 CA GLY A 24 7.200 6.498 15.155 1.00 0.00 C ATOM 360 C GLY A 24 8.358 5.665 14.639 1.00 0.00 C ATOM 361 O GLY A 24 9.443 6.186 14.389 1.00 0.00 O ATOM 0 H GLY A 24 6.179 7.604 13.697 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.403 6.802 16.182 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.297 5.888 15.175 1.00 0.00 H new ATOM 365 N LYS A 25 8.124 4.365 14.477 1.00 0.00 N ATOM 366 CA LYS A 25 9.156 3.460 13.986 1.00 0.00 C ATOM 367 C LYS A 25 8.827 2.976 12.577 1.00 0.00 C ATOM 368 O LYS A 25 7.666 2.972 12.167 1.00 0.00 O ATOM 369 CB LYS A 25 9.306 2.262 14.926 1.00 0.00 C ATOM 370 CG LYS A 25 8.564 2.427 16.242 1.00 0.00 C ATOM 371 CD LYS A 25 8.076 1.090 16.777 1.00 0.00 C ATOM 372 CE LYS A 25 7.177 0.385 15.774 1.00 0.00 C ATOM 373 NZ LYS A 25 7.697 -0.964 15.415 1.00 0.00 N ATOM 0 H LYS A 25 7.230 3.917 14.679 1.00 0.00 H new ATOM 0 HA LYS A 25 10.098 4.007 13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.941 1.367 14.422 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.364 2.102 15.132 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.221 2.896 16.975 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.715 3.096 16.101 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.931 0.456 17.010 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.532 1.246 17.709 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.174 0.289 16.190 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.091 0.993 14.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.056 -1.412 14.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.644 -0.871 14.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.755 -1.553 16.270 1.00 0.00 H new ATOM 387 N HIS A 26 9.855 2.567 11.838 1.00 0.00 N ATOM 388 CA HIS A 26 9.667 2.080 10.476 1.00 0.00 C ATOM 389 C HIS A 26 8.810 0.820 10.466 1.00 0.00 C ATOM 390 O HIS A 26 8.936 -0.037 11.340 1.00 0.00 O ATOM 391 CB HIS A 26 10.998 1.800 9.811 1.00 0.00 C ATOM 392 CG HIS A 26 12.144 2.092 10.693 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.415 1.434 11.890 1.00 0.00 N ATOM 394 CD2 HIS A 26 13.220 2.953 10.543 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.524 1.894 12.440 1.00 0.00 C ATOM 396 NE2 HIS A 26 14.031 2.815 11.642 1.00 0.00 N ATOM 0 H HIS A 26 10.823 2.563 12.159 1.00 0.00 H new ATOM 0 HA HIS A 26 9.154 2.861 9.914 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.035 0.754 9.507 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.080 2.399 8.904 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.390 3.616 9.708 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.944 1.572 13.381 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.888 3.340 11.814 1.00 0.00 H new ATOM 405 N LYS A 27 7.936 0.717 9.472 1.00 0.00 N ATOM 406 CA LYS A 27 7.053 -0.435 9.345 1.00 0.00 C ATOM 407 C LYS A 27 7.732 -1.559 8.572 1.00 0.00 C ATOM 408 O LYS A 27 8.828 -1.386 8.036 1.00 0.00 O ATOM 409 CB LYS A 27 5.758 -0.032 8.642 1.00 0.00 C ATOM 410 CG LYS A 27 5.827 -0.135 7.129 1.00 0.00 C ATOM 411 CD LYS A 27 5.313 1.121 6.454 1.00 0.00 C ATOM 412 CE LYS A 27 5.754 2.374 7.193 1.00 0.00 C ATOM 413 NZ LYS A 27 6.340 3.386 6.269 1.00 0.00 N ATOM 0 H LYS A 27 7.820 1.419 8.741 1.00 0.00 H new ATOM 0 HA LYS A 27 6.821 -0.796 10.347 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.947 -0.664 9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.510 0.993 8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.858 -0.315 6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.241 -0.992 6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.676 1.157 5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.224 1.090 6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.900 2.808 7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.488 2.108 7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.247 3.722 6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.497 2.954 5.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.686 4.189 6.174 1.00 0.00 H new ATOM 427 N THR A 28 7.075 -2.713 8.517 1.00 0.00 N ATOM 428 CA THR A 28 7.613 -3.867 7.807 1.00 0.00 C ATOM 429 C THR A 28 7.627 -3.621 6.301 1.00 0.00 C ATOM 430 O THR A 28 8.565 -4.011 5.607 1.00 0.00 O ATOM 431 CB THR A 28 6.791 -5.117 8.126 1.00 0.00 C ATOM 432 OG1 THR A 28 6.191 -5.011 9.404 1.00 0.00 O ATOM 433 CG2 THR A 28 7.590 -6.481 8.063 1.00 0.00 C ATOM 0 H THR A 28 6.168 -2.874 8.956 1.00 0.00 H new ATOM 0 HA THR A 28 8.639 -4.022 8.140 1.00 0.00 H new ATOM 0 HB THR A 28 6.043 -5.153 7.334 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.669 -5.819 9.588 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.920 -7.306 8.304 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.992 -6.621 7.060 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.409 -6.456 8.782 1.00 0.00 H new ATOM 441 N GLY A 29 6.581 -2.967 5.794 1.00 0.00 N ATOM 442 CA GLY A 29 6.489 -2.684 4.384 1.00 0.00 C ATOM 443 C GLY A 29 6.021 -1.268 4.111 1.00 0.00 C ATOM 444 O GLY A 29 5.257 -0.701 4.892 1.00 0.00 O ATOM 0 H GLY A 29 5.794 -2.629 6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.463 -2.838 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.800 -3.388 3.918 1.00 0.00 H new ATOM 448 N PRO A 30 6.464 -0.667 2.997 1.00 0.00 N ATOM 449 CA PRO A 30 6.079 0.696 2.626 1.00 0.00 C ATOM 450 C PRO A 30 4.594 0.963 2.833 1.00 0.00 C ATOM 451 O PRO A 30 3.742 0.269 2.281 1.00 0.00 O ATOM 452 CB PRO A 30 6.439 0.798 1.051 1.00 0.00 C ATOM 453 CG PRO A 30 7.594 -0.136 0.904 1.00 0.00 C ATOM 454 CD PRO A 30 7.373 -1.274 2.006 1.00 0.00 C ATOM 0 HA PRO A 30 6.597 1.429 3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.598 0.500 0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.705 1.815 0.764 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.627 -0.563 -0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.540 0.383 1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.937 -2.171 1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.317 -1.570 2.464 1.00 0.00 H new ATOM 462 N ASN A 31 4.289 1.959 3.663 1.00 0.00 N ATOM 463 CA ASN A 31 2.907 2.315 3.957 1.00 0.00 C ATOM 464 C ASN A 31 2.121 2.569 2.676 1.00 0.00 C ATOM 465 O ASN A 31 1.141 1.884 2.383 1.00 0.00 O ATOM 466 CB ASN A 31 2.856 3.555 4.854 1.00 0.00 C ATOM 467 CG ASN A 31 1.664 3.544 5.790 1.00 0.00 C ATOM 468 OD1 ASN A 31 0.908 2.573 5.841 1.00 0.00 O ATOM 469 ND2 ASN A 31 1.488 4.627 6.537 1.00 0.00 N ATOM 0 H ASN A 31 4.983 2.533 4.143 1.00 0.00 H new ATOM 0 HA ASN A 31 2.449 1.476 4.480 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.773 3.614 5.440 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.817 4.449 4.231 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.702 4.677 7.185 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.139 5.409 6.463 1.00 0.00 H new ATOM 476 N LEU A 32 2.565 3.602 1.816 1.00 0.00 N ATOM 477 CA LEU A 32 1.899 3.946 0.665 1.00 0.00 C ATOM 478 C LEU A 32 2.660 5.041 -0.175 1.00 0.00 C ATOM 479 O LEU A 32 2.614 5.120 -1.402 1.00 0.00 O ATOM 480 CB LEU A 32 0.465 4.402 0.736 1.00 0.00 C ATOM 481 CG LEU A 32 -0.070 5.578 1.573 1.00 0.00 C ATOM 482 CD1 LEU A 32 0.510 5.523 2.977 1.00 0.00 C ATOM 483 CD2 LEU A 32 0.325 6.863 0.885 1.00 0.00 C ATOM 0 H LEU A 32 3.403 4.157 1.991 1.00 0.00 H new ATOM 0 HA LEU A 32 1.878 2.960 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.173 4.616 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.106 3.530 1.055 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.155 5.522 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.126 6.359 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.223 4.585 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.597 5.586 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.044 7.712 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.411 6.918 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.107 6.888 -0.115 1.00 0.00 H new ATOM 495 N HIS A 33 3.362 5.881 0.579 1.00 0.00 N ATOM 496 CA HIS A 33 4.134 6.970 -0.010 1.00 0.00 C ATOM 497 C HIS A 33 4.999 6.461 -1.158 1.00 0.00 C ATOM 498 O HIS A 33 5.803 5.544 -0.984 1.00 0.00 O ATOM 499 CB HIS A 33 5.013 7.632 1.053 1.00 0.00 C ATOM 500 CG HIS A 33 4.858 9.121 1.114 1.00 0.00 C ATOM 501 ND1 HIS A 33 5.829 9.958 1.622 1.00 0.00 N ATOM 502 CD2 HIS A 33 3.838 9.922 0.724 1.00 0.00 C ATOM 503 CE1 HIS A 33 5.412 11.208 1.545 1.00 0.00 C ATOM 504 NE2 HIS A 33 4.208 11.215 1.003 1.00 0.00 N ATOM 0 H HIS A 33 3.412 5.829 1.596 1.00 0.00 H new ATOM 0 HA HIS A 33 3.436 7.708 -0.404 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.771 7.209 2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.057 7.391 0.851 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.908 9.604 0.277 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.963 12.078 1.870 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.644 12.045 0.821 1.00 0.00 H new ATOM 513 N GLY A 34 4.828 7.062 -2.331 1.00 0.00 N ATOM 514 CA GLY A 34 5.599 6.654 -3.490 1.00 0.00 C ATOM 515 C GLY A 34 5.172 5.301 -4.024 1.00 0.00 C ATOM 516 O GLY A 34 5.898 4.671 -4.793 1.00 0.00 O ATOM 0 H GLY A 34 4.170 7.823 -2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.491 7.402 -4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.656 6.620 -3.226 1.00 0.00 H new ATOM 520 N LEU A 35 3.991 4.862 -3.611 1.00 0.00 N ATOM 521 CA LEU A 35 3.464 3.567 -4.057 1.00 0.00 C ATOM 522 C LEU A 35 3.296 3.541 -5.573 1.00 0.00 C ATOM 523 O LEU A 35 3.719 2.596 -6.237 1.00 0.00 O ATOM 524 CB LEU A 35 2.124 3.279 -3.377 1.00 0.00 C ATOM 525 CG LEU A 35 1.554 1.884 -3.636 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.570 0.815 -3.263 1.00 0.00 C ATOM 527 CD2 LEU A 35 0.162 1.704 -2.862 1.00 0.00 C ATOM 0 H LEU A 35 3.380 5.373 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 35 4.180 2.794 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.243 3.412 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.398 4.020 -3.711 1.00 0.00 H new ATOM 0 HG LEU A 35 1.350 1.769 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.147 -0.171 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.472 0.945 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.820 0.904 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.235 0.707 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.322 1.831 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.549 2.451 -3.214 1.00 0.00 H new ATOM 539 N PHE A 36 2.678 4.588 -6.110 1.00 0.00 N ATOM 540 CA PHE A 36 2.456 4.687 -7.548 1.00 0.00 C ATOM 541 C PHE A 36 3.334 5.772 -8.158 1.00 0.00 C ATOM 542 O PHE A 36 3.113 6.200 -9.292 1.00 0.00 O ATOM 543 CB PHE A 36 0.884 4.999 -7.841 1.00 0.00 C ATOM 544 CG PHE A 36 -0.052 4.488 -6.783 1.00 0.00 C ATOM 545 CD1 PHE A 36 -0.645 3.242 -6.906 1.00 0.00 C ATOM 546 CD2 PHE A 36 -0.339 5.254 -5.663 1.00 0.00 C ATOM 547 CE1 PHE A 36 -1.508 2.769 -5.935 1.00 0.00 C ATOM 548 CE2 PHE A 36 -1.200 4.787 -4.689 1.00 0.00 C ATOM 549 CZ PHE A 36 -1.784 3.543 -4.826 1.00 0.00 C ATOM 0 H PHE A 36 2.323 5.378 -5.572 1.00 0.00 H new ATOM 0 HA PHE A 36 2.725 3.737 -8.009 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.751 6.076 -7.939 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.609 4.556 -8.798 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.430 2.632 -7.771 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.116 6.227 -5.551 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.965 1.797 -6.044 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.416 5.394 -3.822 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.457 3.176 -4.065 1.00 0.00 H new ATOM 559 N GLY A 37 4.332 6.214 -7.399 1.00 0.00 N ATOM 560 CA GLY A 37 5.231 7.247 -7.879 1.00 0.00 C ATOM 561 C GLY A 37 6.686 6.818 -7.825 1.00 0.00 C ATOM 562 O GLY A 37 7.466 7.125 -8.727 1.00 0.00 O ATOM 0 H GLY A 37 4.534 5.874 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.969 7.505 -8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.098 8.148 -7.280 1.00 0.00 H new ATOM 566 N ARG A 38 7.049 6.104 -6.764 1.00 0.00 N ATOM 567 CA ARG A 38 8.417 5.628 -6.593 1.00 0.00 C ATOM 568 C ARG A 38 8.598 4.262 -7.248 1.00 0.00 C ATOM 569 O ARG A 38 7.623 3.619 -7.637 1.00 0.00 O ATOM 570 CB ARG A 38 8.771 5.551 -5.108 1.00 0.00 C ATOM 571 CG ARG A 38 8.849 6.901 -4.435 1.00 0.00 C ATOM 572 CD ARG A 38 9.556 6.821 -3.088 1.00 0.00 C ATOM 573 NE ARG A 38 10.671 7.758 -2.990 1.00 0.00 N ATOM 574 CZ ARG A 38 10.570 9.055 -3.268 1.00 0.00 C ATOM 575 NH1 ARG A 38 9.408 9.562 -3.657 1.00 0.00 N ATOM 576 NH2 ARG A 38 11.628 9.843 -3.156 1.00 0.00 N ATOM 0 H ARG A 38 6.414 5.842 -6.010 1.00 0.00 H new ATOM 0 HA ARG A 38 9.089 6.336 -7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.026 4.942 -4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.729 5.043 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.378 7.600 -5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.843 7.296 -4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.840 7.027 -2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.922 5.806 -2.932 1.00 0.00 H new ATOM 0 HE ARG A 38 11.578 7.398 -2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.591 8.957 -3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.331 10.557 -3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.523 9.456 -2.856 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.548 10.837 -3.370 1.00 0.00 H new ATOM 590 N LYS A 39 9.848 3.827 -7.378 1.00 0.00 N ATOM 591 CA LYS A 39 10.143 2.540 -7.999 1.00 0.00 C ATOM 592 C LYS A 39 9.380 1.411 -7.321 1.00 0.00 C ATOM 593 O LYS A 39 8.227 1.142 -7.659 1.00 0.00 O ATOM 594 CB LYS A 39 11.644 2.248 -7.964 1.00 0.00 C ATOM 595 CG LYS A 39 12.034 0.953 -8.672 1.00 0.00 C ATOM 596 CD LYS A 39 10.914 0.377 -9.644 1.00 0.00 C ATOM 597 CE LYS A 39 10.603 1.398 -10.723 1.00 0.00 C ATOM 598 NZ LYS A 39 9.279 1.151 -11.358 1.00 0.00 N ATOM 0 H LYS A 39 10.669 4.344 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 39 9.820 2.599 -9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.178 3.079 -8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.971 2.197 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.944 1.126 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.270 0.199 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.255 -0.554 -10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.012 0.144 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.617 2.398 -10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.382 1.369 -11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.791 2.057 -11.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.416 0.676 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.704 0.547 -10.737 1.00 0.00 H new ATOM 612 N THR A 40 10.031 0.538 -6.580 1.00 0.00 N ATOM 613 CA THR A 40 9.303 -0.375 -5.682 1.00 0.00 C ATOM 614 C THR A 40 10.006 -0.497 -4.243 1.00 0.00 C ATOM 615 O THR A 40 10.954 -1.093 -3.993 1.00 0.00 O ATOM 616 CB THR A 40 9.131 -1.785 -6.081 1.00 0.00 C ATOM 617 OG1 THR A 40 10.334 -2.485 -6.299 1.00 0.00 O ATOM 618 CG2 THR A 40 8.047 -2.135 -6.932 1.00 0.00 C ATOM 0 H THR A 40 11.045 0.431 -6.571 1.00 0.00 H new ATOM 0 HA THR A 40 8.330 0.116 -5.701 1.00 0.00 H new ATOM 0 HB THR A 40 8.731 -2.194 -5.153 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.959 -2.298 -5.568 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.068 -3.207 -7.126 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.106 -1.872 -6.449 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.135 -1.594 -7.874 1.00 0.00 H new ATOM 626 N GLY A 41 9.144 0.051 -3.302 1.00 0.00 N ATOM 627 CA GLY A 41 9.523 -0.027 -1.900 1.00 0.00 C ATOM 628 C GLY A 41 10.919 0.503 -1.629 1.00 0.00 C ATOM 629 O GLY A 41 11.641 -0.038 -0.793 1.00 0.00 O ATOM 0 H GLY A 41 8.256 0.511 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.805 0.537 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.465 -1.065 -1.572 1.00 0.00 H new ATOM 633 N GLN A 42 11.303 1.563 -2.334 1.00 0.00 N ATOM 634 CA GLN A 42 12.625 2.159 -2.155 1.00 0.00 C ATOM 635 C GLN A 42 12.550 3.410 -1.288 1.00 0.00 C ATOM 636 O GLN A 42 13.165 4.431 -1.599 1.00 0.00 O ATOM 637 CB GLN A 42 13.243 2.501 -3.513 1.00 0.00 C ATOM 638 CG GLN A 42 12.233 2.568 -4.646 1.00 0.00 C ATOM 639 CD GLN A 42 11.082 3.503 -4.343 1.00 0.00 C ATOM 640 OE1 GLN A 42 11.286 4.655 -3.960 1.00 0.00 O ATOM 641 NE2 GLN A 42 9.861 3.011 -4.513 1.00 0.00 N ATOM 0 H GLN A 42 10.721 2.026 -3.032 1.00 0.00 H new ATOM 0 HA GLN A 42 13.256 1.429 -1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.755 3.460 -3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.999 1.754 -3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.734 2.897 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.843 1.569 -4.841 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.738 2.050 -4.832 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.045 3.594 -4.324 1.00 0.00 H new ATOM 650 N ALA A 43 11.794 3.328 -0.197 1.00 0.00 N ATOM 651 CA ALA A 43 11.640 4.455 0.716 1.00 0.00 C ATOM 652 C ALA A 43 12.997 4.976 1.183 1.00 0.00 C ATOM 653 O ALA A 43 14.039 4.423 0.835 1.00 0.00 O ATOM 654 CB ALA A 43 10.790 4.053 1.912 1.00 0.00 C ATOM 0 H ALA A 43 11.278 2.492 0.076 1.00 0.00 H new ATOM 0 HA ALA A 43 11.137 5.258 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.683 4.904 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.805 3.736 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.272 3.230 2.441 1.00 0.00 H new ATOM 660 N PRO A 44 12.996 6.057 1.977 1.00 0.00 N ATOM 661 CA PRO A 44 14.223 6.665 2.494 1.00 0.00 C ATOM 662 C PRO A 44 14.789 5.913 3.696 1.00 0.00 C ATOM 663 O PRO A 44 15.398 4.856 3.547 1.00 0.00 O ATOM 664 CB PRO A 44 13.761 8.063 2.899 1.00 0.00 C ATOM 665 CG PRO A 44 12.337 7.880 3.301 1.00 0.00 C ATOM 666 CD PRO A 44 11.790 6.778 2.430 1.00 0.00 C ATOM 0 HA PRO A 44 15.030 6.657 1.761 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.359 8.457 3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.853 8.767 2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.262 7.616 4.356 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.772 8.802 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.118 6.124 2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.223 7.177 1.589 1.00 0.00 H new ATOM 674 N GLY A 45 14.550 6.437 4.901 1.00 0.00 N ATOM 675 CA GLY A 45 15.043 5.791 6.147 1.00 0.00 C ATOM 676 C GLY A 45 14.285 4.525 6.498 1.00 0.00 C ATOM 677 O GLY A 45 14.512 3.927 7.548 1.00 0.00 O ATOM 0 H GLY A 45 14.025 7.298 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.101 5.555 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.961 6.498 6.973 1.00 0.00 H new ATOM 681 N PHE A 46 13.365 4.112 5.585 1.00 0.00 N ATOM 682 CA PHE A 46 12.566 2.910 5.797 1.00 0.00 C ATOM 683 C PHE A 46 13.346 1.661 5.402 1.00 0.00 C ATOM 684 O PHE A 46 13.983 1.625 4.348 1.00 0.00 O ATOM 685 CB PHE A 46 11.265 2.986 4.999 1.00 0.00 C ATOM 686 CG PHE A 46 10.383 1.784 5.182 1.00 0.00 C ATOM 687 CD1 PHE A 46 9.648 1.621 6.343 1.00 0.00 C ATOM 688 CD2 PHE A 46 10.292 0.819 4.193 1.00 0.00 C ATOM 689 CE1 PHE A 46 8.836 0.516 6.517 1.00 0.00 C ATOM 690 CE2 PHE A 46 9.481 -0.288 4.360 1.00 0.00 C ATOM 691 CZ PHE A 46 8.753 -0.440 5.524 1.00 0.00 C ATOM 0 H PHE A 46 13.172 4.599 4.710 1.00 0.00 H new ATOM 0 HA PHE A 46 12.328 2.848 6.859 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.716 3.879 5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.502 3.096 3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.710 2.366 7.122 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.861 0.932 3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.267 0.401 7.428 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.417 -1.033 3.581 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.120 -1.305 5.657 1.00 0.00 H new ATOM 701 N THR A 47 13.323 0.649 6.289 1.00 0.00 N ATOM 702 CA THR A 47 14.026 -0.601 6.019 1.00 0.00 C ATOM 703 C THR A 47 13.234 -1.460 5.040 1.00 0.00 C ATOM 704 O THR A 47 12.259 -2.109 5.413 1.00 0.00 O ATOM 705 CB THR A 47 14.264 -1.370 7.319 1.00 0.00 C ATOM 706 OG1 THR A 47 15.611 -1.794 7.411 1.00 0.00 O ATOM 707 CG2 THR A 47 13.387 -2.586 7.485 1.00 0.00 C ATOM 0 H THR A 47 12.831 0.678 7.182 1.00 0.00 H new ATOM 0 HA THR A 47 14.990 -0.362 5.571 1.00 0.00 H new ATOM 0 HB THR A 47 14.012 -0.664 8.110 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.744 -2.283 8.250 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.618 -3.075 8.431 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.340 -2.283 7.479 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.568 -3.280 6.664 1.00 0.00 H new ATOM 715 N TYR A 48 13.660 -1.444 3.781 1.00 0.00 N ATOM 716 CA TYR A 48 12.992 -2.208 2.735 1.00 0.00 C ATOM 717 C TYR A 48 13.281 -3.698 2.858 1.00 0.00 C ATOM 718 O TYR A 48 14.272 -4.107 3.462 1.00 0.00 O ATOM 719 CB TYR A 48 13.444 -1.694 1.300 1.00 0.00 C ATOM 720 CG TYR A 48 14.492 -0.607 1.347 1.00 0.00 C ATOM 721 CD1 TYR A 48 15.783 -0.877 1.786 1.00 0.00 C ATOM 722 CD2 TYR A 48 14.193 0.691 0.951 1.00 0.00 C ATOM 723 CE1 TYR A 48 16.744 0.115 1.830 1.00 0.00 C ATOM 724 CE2 TYR A 48 15.150 1.688 0.991 1.00 0.00 C ATOM 725 CZ TYR A 48 16.422 1.395 1.431 1.00 0.00 C ATOM 726 OH TYR A 48 17.378 2.384 1.474 1.00 0.00 O ATOM 0 H TYR A 48 14.467 -0.909 3.461 1.00 0.00 H new ATOM 0 HA TYR A 48 11.919 -2.057 2.855 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.832 -2.536 0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 48 12.570 -1.321 0.765 1.00 0.00 H new ATOM 0 HD1 TYR A 48 16.039 -1.879 2.098 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.197 0.925 0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.742 -0.111 2.175 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.901 2.692 0.679 1.00 0.00 H new ATOM 0 HH TYR A 48 16.991 3.227 1.159 1.00 0.00 H new ATOM 736 N THR A 49 12.401 -4.556 2.232 1.00 0.00 N ATOM 737 CA THR A 49 12.554 -6.003 2.238 1.00 0.00 C ATOM 738 C THR A 49 13.561 -6.413 1.177 1.00 0.00 C ATOM 739 O THR A 49 13.985 -5.589 0.370 1.00 0.00 O ATOM 740 CB THR A 49 11.210 -6.683 1.977 1.00 0.00 C ATOM 741 OG1 THR A 49 10.801 -6.486 0.635 1.00 0.00 O ATOM 742 CG2 THR A 49 10.105 -6.157 2.886 1.00 0.00 C ATOM 0 H THR A 49 11.580 -4.234 1.720 1.00 0.00 H new ATOM 0 HA THR A 49 12.915 -6.317 3.218 1.00 0.00 H new ATOM 0 HB THR A 49 11.363 -7.742 2.183 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.940 -6.930 0.487 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.172 -6.673 2.660 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.375 -6.335 3.927 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.977 -5.087 2.722 1.00 0.00 H new ATOM 750 N ASP A 50 13.950 -7.679 1.173 1.00 0.00 N ATOM 751 CA ASP A 50 14.913 -8.154 0.192 1.00 0.00 C ATOM 752 C ASP A 50 14.444 -7.793 -1.271 1.00 0.00 C ATOM 753 O ASP A 50 15.246 -7.468 -2.148 1.00 0.00 O ATOM 754 CB ASP A 50 15.120 -9.664 0.333 1.00 0.00 C ATOM 755 CG ASP A 50 15.534 -10.314 -0.971 1.00 0.00 C ATOM 756 OD1 ASP A 50 16.707 -10.729 -1.083 1.00 0.00 O ATOM 757 OD2 ASP A 50 14.684 -10.411 -1.883 1.00 0.00 O ATOM 0 H ASP A 50 13.619 -8.387 1.828 1.00 0.00 H new ATOM 0 HA ASP A 50 15.865 -7.656 0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.882 -9.855 1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.197 -10.123 0.688 1.00 0.00 H new ATOM 762 N ALA A 51 13.132 -7.862 -1.479 1.00 0.00 N ATOM 763 CA ALA A 51 12.548 -7.553 -2.779 1.00 0.00 C ATOM 764 C ALA A 51 12.635 -6.058 -3.082 1.00 0.00 C ATOM 765 O ALA A 51 13.002 -5.658 -4.187 1.00 0.00 O ATOM 766 CB ALA A 51 11.101 -8.021 -2.830 1.00 0.00 C ATOM 0 H ALA A 51 12.455 -8.129 -0.765 1.00 0.00 H new ATOM 0 HA ALA A 51 13.118 -8.084 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.676 -7.785 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.061 -9.098 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.528 -7.516 -2.053 1.00 0.00 H new ATOM 772 N ASN A 52 12.294 -5.236 -2.091 1.00 0.00 N ATOM 773 CA ASN A 52 12.332 -3.787 -2.257 1.00 0.00 C ATOM 774 C ASN A 52 13.747 -3.318 -2.575 1.00 0.00 C ATOM 775 O ASN A 52 13.954 -2.498 -3.470 1.00 0.00 O ATOM 776 CB ASN A 52 11.826 -3.094 -0.990 1.00 0.00 C ATOM 777 CG ASN A 52 10.371 -3.412 -0.700 1.00 0.00 C ATOM 778 OD1 ASN A 52 9.879 -3.169 0.404 1.00 0.00 O ATOM 779 ND2 ASN A 52 9.676 -3.959 -1.690 1.00 0.00 N ATOM 0 H ASN A 52 11.990 -5.548 -1.169 1.00 0.00 H new ATOM 0 HA ASN A 52 11.682 -3.522 -3.091 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.438 -3.401 -0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.946 -2.016 -1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.693 -4.196 -1.553 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.125 -4.142 -2.587 1.00 0.00 H new ATOM 786 N LYS A 53 14.719 -3.853 -1.845 1.00 0.00 N ATOM 787 CA LYS A 53 16.115 -3.498 -2.060 1.00 0.00 C ATOM 788 C LYS A 53 16.528 -3.832 -3.486 1.00 0.00 C ATOM 789 O LYS A 53 17.375 -3.160 -4.076 1.00 0.00 O ATOM 790 CB LYS A 53 17.013 -4.241 -1.068 1.00 0.00 C ATOM 791 CG LYS A 53 16.714 -5.727 -0.972 1.00 0.00 C ATOM 792 CD LYS A 53 17.770 -6.456 -0.156 1.00 0.00 C ATOM 793 CE LYS A 53 17.414 -6.496 1.377 1.00 0.00 C ATOM 794 NZ LYS A 53 17.222 -7.880 1.889 1.00 0.00 N ATOM 0 H LYS A 53 14.566 -4.533 -1.100 1.00 0.00 H new ATOM 0 HA LYS A 53 16.228 -2.426 -1.900 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.054 -4.107 -1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.900 -3.792 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.735 -5.874 -0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.667 -6.155 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.876 -7.475 -0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.734 -5.965 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.210 -6.011 1.943 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.504 -5.920 1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.263 -7.976 2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.348 -8.559 1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.921 -8.074 2.634 1.00 0.00 H new ATOM 808 N ASN A 54 15.913 -4.873 -4.041 1.00 0.00 N ATOM 809 CA ASN A 54 16.201 -5.296 -5.403 1.00 0.00 C ATOM 810 C ASN A 54 15.541 -4.351 -6.399 1.00 0.00 C ATOM 811 O ASN A 54 15.895 -4.325 -7.578 1.00 0.00 O ATOM 812 CB ASN A 54 15.712 -6.727 -5.634 1.00 0.00 C ATOM 813 CG ASN A 54 16.351 -7.717 -4.679 1.00 0.00 C ATOM 814 OD1 ASN A 54 16.110 -8.922 -4.764 1.00 0.00 O ATOM 815 ND2 ASN A 54 17.172 -7.211 -3.767 1.00 0.00 N ATOM 0 H ASN A 54 15.211 -5.439 -3.565 1.00 0.00 H new ATOM 0 HA ASN A 54 17.280 -5.268 -5.552 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.629 -6.761 -5.518 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.932 -7.022 -6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 54 17.634 -7.828 -3.098 1.00 0.00 H new ATOM 0 HD22 ASN A 54 17.341 -6.206 -3.735 1.00 0.00 H new ATOM 822 N LYS A 55 14.579 -3.575 -5.911 1.00 0.00 N ATOM 823 CA LYS A 55 13.863 -2.622 -6.749 1.00 0.00 C ATOM 824 C LYS A 55 12.895 -3.336 -7.683 1.00 0.00 C ATOM 825 O LYS A 55 13.031 -3.270 -8.904 1.00 0.00 O ATOM 826 CB LYS A 55 14.851 -1.786 -7.564 1.00 0.00 C ATOM 827 CG LYS A 55 15.587 -0.678 -6.717 1.00 0.00 C ATOM 828 CD LYS A 55 17.064 -0.616 -7.072 1.00 0.00 C ATOM 829 CE LYS A 55 17.662 -2.062 -7.188 1.00 0.00 C ATOM 830 NZ LYS A 55 19.130 -2.043 -6.942 1.00 0.00 N ATOM 0 H LYS A 55 14.277 -3.588 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 55 13.290 -1.963 -6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.595 -2.448 -8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.319 -1.309 -8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.124 0.292 -6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.473 -0.891 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.196 -0.085 -8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.604 -0.053 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.176 -2.721 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.459 -2.467 -8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.508 -3.008 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.592 -1.430 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.317 -1.677 -5.987 1.00 0.00 H new ATOM 844 N GLY A 56 11.929 -4.026 -7.125 1.00 0.00 N ATOM 845 CA GLY A 56 10.947 -4.735 -7.921 1.00 0.00 C ATOM 846 C GLY A 56 10.293 -3.836 -8.946 1.00 0.00 C ATOM 847 O GLY A 56 10.909 -3.496 -9.902 1.00 0.00 O ATOM 0 H GLY A 56 11.799 -4.114 -6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.427 -5.573 -8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.183 -5.154 -7.266 1.00 0.00 H new ATOM 851 N ILE A 57 9.045 -3.460 -8.696 1.00 0.00 N ATOM 852 CA ILE A 57 8.331 -2.583 -9.610 1.00 0.00 C ATOM 853 C ILE A 57 7.255 -1.600 -8.908 1.00 0.00 C ATOM 854 O ILE A 57 6.894 -1.847 -7.688 1.00 0.00 O ATOM 855 CB ILE A 57 7.589 -3.370 -10.698 1.00 0.00 C ATOM 856 CG1 ILE A 57 7.917 -2.776 -12.055 1.00 0.00 C ATOM 857 CG2 ILE A 57 6.093 -3.357 -10.456 1.00 0.00 C ATOM 858 CD1 ILE A 57 8.209 -1.298 -11.993 1.00 0.00 C ATOM 0 H ILE A 57 8.512 -3.746 -7.875 1.00 0.00 H new ATOM 0 HA ILE A 57 9.125 -1.969 -10.036 1.00 0.00 H new ATOM 0 HB ILE A 57 7.916 -4.409 -10.669 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.779 -3.294 -12.474 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.081 -2.948 -12.733 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.592 -3.922 -11.242 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.877 -3.811 -9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.732 -2.328 -10.463 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.437 -0.930 -12.993 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.339 -0.771 -11.602 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.063 -1.123 -11.339 1.00 0.00 H new ATOM 870 N THR A 58 6.823 -0.686 -9.600 1.00 0.00 N ATOM 871 CA THR A 58 5.882 0.262 -9.030 1.00 0.00 C ATOM 872 C THR A 58 4.483 -0.331 -8.973 1.00 0.00 C ATOM 873 O THR A 58 3.864 -0.606 -10.001 1.00 0.00 O ATOM 874 CB THR A 58 5.869 1.551 -9.854 1.00 0.00 C ATOM 875 OG1 THR A 58 6.069 2.772 -8.996 1.00 0.00 O ATOM 876 CG2 THR A 58 4.546 1.808 -10.542 1.00 0.00 C ATOM 0 H THR A 58 7.072 -0.523 -10.576 1.00 0.00 H new ATOM 0 HA THR A 58 6.201 0.490 -8.013 1.00 0.00 H new ATOM 0 HB THR A 58 6.675 1.399 -10.572 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.928 2.706 -8.529 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.605 2.737 -11.109 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.322 0.984 -11.219 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.757 1.889 -9.795 1.00 0.00 H new ATOM 884 N TRP A 59 3.996 -0.520 -7.759 1.00 0.00 N ATOM 885 CA TRP A 59 2.670 -1.079 -7.533 1.00 0.00 C ATOM 886 C TRP A 59 1.586 -0.125 -8.019 1.00 0.00 C ATOM 887 O TRP A 59 1.346 0.922 -7.417 1.00 0.00 O ATOM 888 CB TRP A 59 2.484 -1.384 -6.047 1.00 0.00 C ATOM 889 CG TRP A 59 3.785 -1.539 -5.320 1.00 0.00 C ATOM 890 CD1 TRP A 59 4.591 -0.537 -4.861 1.00 0.00 C ATOM 891 CD2 TRP A 59 4.437 -2.768 -4.979 1.00 0.00 C ATOM 892 NE1 TRP A 59 5.705 -1.067 -4.258 1.00 0.00 N ATOM 893 CE2 TRP A 59 5.633 -2.435 -4.316 1.00 0.00 C ATOM 894 CE3 TRP A 59 4.127 -4.118 -5.172 1.00 0.00 C ATOM 895 CZ2 TRP A 59 6.517 -3.403 -3.844 1.00 0.00 C ATOM 896 CZ3 TRP A 59 5.005 -5.076 -4.701 1.00 0.00 C ATOM 897 CH2 TRP A 59 6.188 -4.714 -4.045 1.00 0.00 C ATOM 0 H TRP A 59 4.504 -0.292 -6.904 1.00 0.00 H new ATOM 0 HA TRP A 59 2.582 -2.005 -8.102 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.908 -0.582 -5.585 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.901 -2.298 -5.938 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.383 0.518 -4.958 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.463 -0.530 -3.836 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.218 -4.407 -5.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 7.430 -3.127 -3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.775 -6.122 -4.841 1.00 0.00 H new ATOM 0 HH2 TRP A 59 6.854 -5.487 -3.691 1.00 0.00 H new ATOM 908 N LYS A 60 0.934 -0.498 -9.115 1.00 0.00 N ATOM 909 CA LYS A 60 -0.228 0.335 -9.696 1.00 0.00 C ATOM 910 C LYS A 60 -1.594 -0.245 -9.350 1.00 0.00 C ATOM 911 O LYS A 60 -1.690 -1.338 -8.799 1.00 0.00 O ATOM 912 CB LYS A 60 -0.058 0.424 -11.214 1.00 0.00 C ATOM 913 CG LYS A 60 -1.287 -0.012 -11.998 1.00 0.00 C ATOM 914 CD LYS A 60 -2.137 1.178 -12.413 1.00 0.00 C ATOM 915 CE LYS A 60 -2.606 1.052 -13.852 1.00 0.00 C ATOM 916 NZ LYS A 60 -2.149 2.197 -14.689 1.00 0.00 N ATOM 0 H LYS A 60 1.148 -1.344 -9.643 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.191 1.328 -9.248 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.187 1.452 -11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.789 -0.194 -11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.976 -0.565 -12.885 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.884 -0.692 -11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.001 1.257 -11.753 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.561 2.096 -12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.231 0.120 -14.276 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.694 0.997 -13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.490 2.073 -15.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.528 3.084 -14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.110 2.235 -14.688 1.00 0.00 H new ATOM 930 N GLU A 61 -2.628 0.500 -9.643 1.00 0.00 N ATOM 931 CA GLU A 61 -3.986 0.053 -9.359 1.00 0.00 C ATOM 932 C GLU A 61 -4.305 -1.264 -10.109 1.00 0.00 C ATOM 933 O GLU A 61 -4.673 -2.247 -9.485 1.00 0.00 O ATOM 934 CB GLU A 61 -4.994 1.134 -9.755 1.00 0.00 C ATOM 935 CG GLU A 61 -6.020 1.433 -8.674 1.00 0.00 C ATOM 936 CD GLU A 61 -7.438 1.133 -9.117 1.00 0.00 C ATOM 937 OE1 GLU A 61 -8.347 1.910 -8.764 1.00 0.00 O ATOM 938 OE2 GLU A 61 -7.640 0.118 -9.820 1.00 0.00 O ATOM 0 H GLU A 61 -2.566 1.420 -10.078 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.062 -0.133 -8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.456 2.050 -9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.513 0.821 -10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.789 0.845 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.947 2.483 -8.389 1.00 0.00 H new ATOM 945 N GLU A 62 -4.157 -1.222 -11.422 1.00 0.00 N ATOM 946 CA GLU A 62 -4.432 -2.395 -12.249 1.00 0.00 C ATOM 947 C GLU A 62 -3.489 -3.548 -11.914 1.00 0.00 C ATOM 948 O GLU A 62 -3.913 -4.699 -11.811 1.00 0.00 O ATOM 949 CB GLU A 62 -4.308 -2.036 -13.731 1.00 0.00 C ATOM 950 CG GLU A 62 -2.900 -2.200 -14.280 1.00 0.00 C ATOM 951 CD GLU A 62 -2.774 -1.721 -15.734 1.00 0.00 C ATOM 952 OE1 GLU A 62 -3.819 -1.632 -16.403 1.00 0.00 O ATOM 953 OE2 GLU A 62 -1.639 -1.464 -16.158 1.00 0.00 O ATOM 0 H GLU A 62 -3.851 -0.398 -11.939 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.451 -2.719 -12.038 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.989 -2.663 -14.307 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.627 -1.004 -13.874 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.203 -1.641 -13.655 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.611 -3.249 -14.221 1.00 0.00 H new ATOM 960 N THR A 63 -2.210 -3.232 -11.748 1.00 0.00 N ATOM 961 CA THR A 63 -1.209 -4.245 -11.429 1.00 0.00 C ATOM 962 C THR A 63 -1.485 -4.878 -10.073 1.00 0.00 C ATOM 963 O THR A 63 -1.162 -6.036 -9.831 1.00 0.00 O ATOM 964 CB THR A 63 0.251 -3.641 -11.433 1.00 0.00 C ATOM 965 OG1 THR A 63 1.089 -4.306 -12.359 1.00 0.00 O ATOM 966 CG2 THR A 63 0.930 -3.689 -10.079 1.00 0.00 C ATOM 0 H THR A 63 -1.841 -2.284 -11.829 1.00 0.00 H new ATOM 0 HA THR A 63 -1.275 -5.009 -12.204 1.00 0.00 H new ATOM 0 HB THR A 63 0.114 -2.598 -11.718 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.983 -3.906 -12.337 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.928 -3.258 -10.157 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.344 -3.119 -9.358 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.007 -4.724 -9.747 1.00 0.00 H new ATOM 974 N LEU A 64 -2.121 -4.102 -9.195 1.00 0.00 N ATOM 975 CA LEU A 64 -2.465 -4.576 -7.863 1.00 0.00 C ATOM 976 C LEU A 64 -3.610 -5.580 -7.933 1.00 0.00 C ATOM 977 O LEU A 64 -3.659 -6.535 -7.160 1.00 0.00 O ATOM 978 CB LEU A 64 -2.856 -3.396 -6.967 1.00 0.00 C ATOM 979 CG LEU A 64 -1.798 -2.981 -5.945 1.00 0.00 C ATOM 980 CD1 LEU A 64 -2.307 -1.824 -5.097 1.00 0.00 C ATOM 981 CD2 LEU A 64 -1.416 -4.161 -5.062 1.00 0.00 C ATOM 0 H LEU A 64 -2.407 -3.142 -9.387 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.593 -5.071 -7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.083 -2.538 -7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.772 -3.652 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.908 -2.652 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.543 -1.539 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.533 -0.973 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.210 -2.130 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.662 -3.847 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.298 -4.519 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.014 -4.963 -5.681 1.00 0.00 H new ATOM 993 N MET A 65 -4.661 -5.395 -8.911 1.00 0.00 N ATOM 994 CA MET A 65 -5.803 -6.286 -9.086 1.00 0.00 C ATOM 995 C MET A 65 -5.331 -7.698 -9.410 1.00 0.00 C ATOM 996 O MET A 65 -5.849 -8.676 -8.870 1.00 0.00 O ATOM 997 CB MET A 65 -6.715 -5.772 -10.202 1.00 0.00 C ATOM 998 CG MET A 65 -7.505 -4.532 -9.817 1.00 0.00 C ATOM 999 SD MET A 65 -8.359 -4.713 -8.239 1.00 0.00 S ATOM 1000 CE MET A 65 -7.089 -4.164 -7.103 1.00 0.00 C ATOM 0 H MET A 65 -4.670 -4.607 -9.559 1.00 0.00 H new ATOM 0 HA MET A 65 -6.366 -6.309 -8.153 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.110 -5.549 -11.081 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.410 -6.562 -10.485 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.830 -3.678 -9.764 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.234 -4.314 -10.597 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.499 -4.116 -6.094 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.255 -4.866 -7.123 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.738 -3.175 -7.399 1.00 0.00 H new ATOM 1010 N GLU A 66 -4.204 -7.750 -10.252 1.00 0.00 N ATOM 1011 CA GLU A 66 -3.652 -9.042 -10.643 1.00 0.00 C ATOM 1012 C GLU A 66 -2.716 -9.570 -9.563 1.00 0.00 C ATOM 1013 O GLU A 66 -2.667 -10.762 -9.290 1.00 0.00 O ATOM 1014 CB GLU A 66 -2.902 -8.922 -11.972 1.00 0.00 C ATOM 1015 CG GLU A 66 -2.076 -7.659 -12.081 1.00 0.00 C ATOM 1016 CD GLU A 66 -1.241 -7.618 -13.358 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -0.426 -8.590 -13.613 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -1.358 -6.622 -14.102 1.00 0.00 O ATOM 0 H GLU A 66 -3.718 -6.936 -10.629 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.477 -9.744 -10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.249 -9.786 -12.092 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.621 -8.949 -12.791 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.737 -6.793 -12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.417 -7.584 -11.216 1.00 0.00 H new ATOM 1025 N TYR A 67 -1.973 -8.657 -8.942 1.00 0.00 N ATOM 1026 CA TYR A 67 -0.979 -9.029 -7.882 1.00 0.00 C ATOM 1027 C TYR A 67 -1.772 -9.639 -6.701 1.00 0.00 C ATOM 1028 O TYR A 67 -1.125 -10.392 -5.911 1.00 0.00 O ATOM 1029 CB TYR A 67 -0.205 -7.792 -7.423 1.00 0.00 C ATOM 1030 CG TYR A 67 0.167 -7.819 -5.958 1.00 0.00 C ATOM 1031 CD1 TYR A 67 1.407 -8.289 -5.543 1.00 0.00 C ATOM 1032 CD2 TYR A 67 -0.724 -7.374 -4.988 1.00 0.00 C ATOM 1033 CE1 TYR A 67 1.750 -8.313 -4.204 1.00 0.00 C ATOM 1034 CE2 TYR A 67 -0.389 -7.396 -3.647 1.00 0.00 C ATOM 1035 CZ TYR A 67 0.848 -7.866 -3.260 1.00 0.00 C ATOM 1036 OH TYR A 67 1.180 -7.914 -1.874 1.00 0.00 O ATOM 0 H TYR A 67 -2.023 -7.657 -9.137 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.255 -9.746 -8.268 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.704 -7.701 -8.018 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.806 -6.904 -7.620 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.115 -8.641 -6.279 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.694 -7.005 -5.287 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.719 -8.680 -3.898 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.093 -7.047 -2.906 1.00 0.00 H new ATOM 0 HH TYR A 67 0.434 -7.560 -1.346 1.00 0.00 H new ATOM 1046 N LEU A 68 -3.058 -9.328 -6.582 1.00 0.00 N ATOM 1047 CA LEU A 68 -3.876 -9.854 -5.495 1.00 0.00 C ATOM 1048 C LEU A 68 -3.954 -11.375 -5.561 1.00 0.00 C ATOM 1049 O LEU A 68 -4.335 -12.056 -4.536 1.00 0.00 O ATOM 1050 CB LEU A 68 -5.281 -9.256 -5.552 1.00 0.00 C ATOM 1051 CG LEU A 68 -5.405 -7.830 -4.984 1.00 0.00 C ATOM 1052 CD1 LEU A 68 -6.783 -7.265 -5.290 1.00 0.00 C ATOM 1053 CD2 LEU A 68 -5.129 -7.784 -3.644 1.00 0.00 C ATOM 0 H LEU A 68 -3.557 -8.714 -7.225 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.408 -9.573 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.614 -9.248 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.960 -9.909 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.657 -7.206 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.861 -6.256 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.932 -7.235 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.545 -7.899 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.229 -6.759 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.827 -8.425 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.110 -8.131 -3.470 1.00 0.00 H new ATOM 1065 N GLU A 69 -3.614 -11.937 -6.741 1.00 0.00 N ATOM 1066 CA GLU A 69 -3.642 -13.381 -6.934 1.00 0.00 C ATOM 1067 C GLU A 69 -2.671 -14.071 -5.915 1.00 0.00 C ATOM 1068 O GLU A 69 -3.110 -14.624 -4.861 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.253 -13.731 -8.371 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.158 -14.770 -9.011 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.777 -15.070 -10.448 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.725 -14.571 -10.900 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.529 -15.807 -11.121 1.00 0.00 O ATOM 0 H GLU A 69 -3.321 -11.407 -7.562 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.654 -13.746 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.272 -12.824 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.227 -14.099 -8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.117 -15.690 -8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.189 -14.418 -8.978 1.00 0.00 H new ATOM 1080 N ASN A 70 -1.314 -14.085 -6.270 1.00 0.00 N ATOM 1081 CA ASN A 70 -0.322 -14.756 -5.330 1.00 0.00 C ATOM 1082 C ASN A 70 0.672 -13.726 -4.804 1.00 0.00 C ATOM 1083 O ASN A 70 1.691 -13.373 -5.530 1.00 0.00 O ATOM 1084 CB ASN A 70 0.420 -15.849 -6.103 1.00 0.00 C ATOM 1085 CG ASN A 70 -0.331 -17.167 -6.104 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -0.309 -17.908 -5.122 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -0.987 -17.424 -7.303 1.00 0.00 N ATOM 0 H ASN A 70 -0.919 -13.679 -7.118 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.850 -15.194 -4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.575 -15.522 -7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.406 -15.996 -5.663 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.509 -18.292 -7.423 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.946 -16.744 -8.062 1.00 0.00 H new ATOM 1094 N PRO A 71 0.375 -13.158 -3.619 1.00 0.00 N ATOM 1095 CA PRO A 71 1.249 -12.127 -3.007 1.00 0.00 C ATOM 1096 C PRO A 71 2.704 -12.581 -2.941 1.00 0.00 C ATOM 1097 O PRO A 71 3.623 -11.766 -3.022 1.00 0.00 O ATOM 1098 CB PRO A 71 0.669 -11.981 -1.598 1.00 0.00 C ATOM 1099 CG PRO A 71 -0.762 -12.371 -1.737 1.00 0.00 C ATOM 1100 CD PRO A 71 -0.782 -13.437 -2.802 1.00 0.00 C ATOM 0 HA PRO A 71 1.264 -11.198 -3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.188 -12.624 -0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.767 -10.959 -1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.160 -12.749 -0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.376 -11.517 -2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.728 -14.434 -2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.700 -13.395 -3.388 1.00 0.00 H new ATOM 1108 N LYS A 72 2.905 -13.886 -2.795 1.00 0.00 N ATOM 1109 CA LYS A 72 4.247 -14.448 -2.720 1.00 0.00 C ATOM 1110 C LYS A 72 4.862 -14.577 -4.109 1.00 0.00 C ATOM 1111 O LYS A 72 6.100 -14.519 -4.214 1.00 0.00 O ATOM 1112 CB LYS A 72 4.212 -15.817 -2.034 1.00 0.00 C ATOM 1113 CG LYS A 72 4.669 -16.956 -2.931 1.00 0.00 C ATOM 1114 CD LYS A 72 6.176 -17.142 -2.871 1.00 0.00 C ATOM 1115 CE LYS A 72 6.822 -16.894 -4.225 1.00 0.00 C ATOM 1116 NZ LYS A 72 7.650 -18.051 -4.666 1.00 0.00 N ATOM 0 H LYS A 72 2.155 -14.574 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 72 4.865 -13.770 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.845 -15.787 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.196 -16.018 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.175 -17.879 -2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.367 -16.755 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.599 -16.459 -2.134 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.406 -18.154 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.047 -16.699 -4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.445 -16.001 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.073 -17.842 -5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.405 -18.222 -3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.051 -18.898 -4.742 1.00 0.00 H new ATOM 1130 N LYS A 73 4.007 -14.650 -5.123 1.00 0.00 N ATOM 1131 CA LYS A 73 4.471 -14.749 -6.555 1.00 0.00 C ATOM 1132 C LYS A 73 5.127 -13.452 -7.017 1.00 0.00 C ATOM 1133 O LYS A 73 6.030 -13.478 -7.864 1.00 0.00 O ATOM 1134 CB LYS A 73 3.300 -15.109 -7.474 1.00 0.00 C ATOM 1135 CG LYS A 73 2.541 -13.901 -7.981 1.00 0.00 C ATOM 1136 CD LYS A 73 3.023 -13.464 -9.352 1.00 0.00 C ATOM 1137 CE LYS A 73 3.272 -14.657 -10.261 1.00 0.00 C ATOM 1138 NZ LYS A 73 2.138 -15.623 -10.232 1.00 0.00 N ATOM 0 H LYS A 73 2.993 -14.645 -5.011 1.00 0.00 H new ATOM 0 HA LYS A 73 5.218 -15.541 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.677 -15.676 -8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.612 -15.761 -6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.477 -14.134 -8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.657 -13.078 -7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.282 -12.807 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.941 -12.886 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.427 -14.309 -11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.188 -15.163 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.006 -16.032 -11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.346 -16.383 -9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.269 -15.130 -9.944 1.00 0.00 H new ATOM 1152 N TYR A 74 4.637 -12.313 -6.453 1.00 0.00 N ATOM 1153 CA TYR A 74 5.206 -11.038 -6.866 1.00 0.00 C ATOM 1154 C TYR A 74 6.494 -10.740 -6.094 1.00 0.00 C ATOM 1155 O TYR A 74 7.475 -10.267 -6.666 1.00 0.00 O ATOM 1156 CB TYR A 74 4.178 -9.930 -6.595 1.00 0.00 C ATOM 1157 CG TYR A 74 3.349 -9.571 -7.808 1.00 0.00 C ATOM 1158 CD1 TYR A 74 2.357 -10.424 -8.272 1.00 0.00 C ATOM 1159 CD2 TYR A 74 3.560 -8.378 -8.488 1.00 0.00 C ATOM 1160 CE1 TYR A 74 1.597 -10.099 -9.380 1.00 0.00 C ATOM 1161 CE2 TYR A 74 2.805 -8.045 -9.596 1.00 0.00 C ATOM 1162 CZ TYR A 74 1.825 -8.910 -10.038 1.00 0.00 C ATOM 1163 OH TYR A 74 1.071 -8.581 -11.141 1.00 0.00 O ATOM 0 H TYR A 74 3.895 -12.266 -5.755 1.00 0.00 H new ATOM 0 HA TYR A 74 5.447 -11.083 -7.928 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.514 -10.249 -5.792 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.699 -9.039 -6.243 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.176 -11.357 -7.759 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.327 -7.700 -8.145 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.829 -10.773 -9.728 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.981 -7.113 -10.113 1.00 0.00 H new ATOM 0 HH TYR A 74 1.358 -7.710 -11.486 1.00 0.00 H new ATOM 1173 N ILE A 75 6.502 -11.033 -4.818 1.00 0.00 N ATOM 1174 CA ILE A 75 7.668 -10.813 -3.979 1.00 0.00 C ATOM 1175 C ILE A 75 7.946 -12.070 -3.013 1.00 0.00 C ATOM 1176 O ILE A 75 7.613 -12.089 -1.829 1.00 0.00 O ATOM 1177 CB ILE A 75 7.480 -9.578 -3.078 1.00 0.00 C ATOM 1178 CG1 ILE A 75 7.532 -8.297 -3.913 1.00 0.00 C ATOM 1179 CG2 ILE A 75 8.531 -9.593 -1.898 1.00 0.00 C ATOM 1180 CD1 ILE A 75 8.577 -8.331 -5.005 1.00 0.00 C ATOM 0 H ILE A 75 5.703 -11.431 -4.325 1.00 0.00 H new ATOM 0 HA ILE A 75 8.508 -10.667 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 75 6.493 -9.609 -2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.554 -8.126 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.733 -7.452 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.386 -8.714 -1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.393 -10.493 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.540 -9.582 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.558 -7.391 -5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.563 -8.471 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.365 -9.155 -5.686 1.00 0.00 H new ATOM 1192 N PRO A 76 8.535 -13.030 -3.619 1.00 0.00 N ATOM 1193 CA PRO A 76 8.909 -14.336 -2.872 1.00 0.00 C ATOM 1194 C PRO A 76 9.803 -14.074 -1.665 1.00 0.00 C ATOM 1195 O PRO A 76 10.780 -13.330 -1.757 1.00 0.00 O ATOM 1196 CB PRO A 76 9.653 -15.176 -3.915 1.00 0.00 C ATOM 1197 CG PRO A 76 9.244 -14.577 -5.323 1.00 0.00 C ATOM 1198 CD PRO A 76 8.959 -13.080 -5.026 1.00 0.00 C ATOM 0 HA PRO A 76 8.023 -14.833 -2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.731 -15.121 -3.765 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.374 -16.227 -3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.044 -14.694 -6.054 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.365 -15.078 -5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.849 -12.472 -5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.182 -12.691 -5.684 1.00 0.00 H new ATOM 1206 N GLY A 77 9.464 -14.690 -0.539 1.00 0.00 N ATOM 1207 CA GLY A 77 10.250 -14.511 0.669 1.00 0.00 C ATOM 1208 C GLY A 77 9.560 -13.625 1.688 1.00 0.00 C ATOM 1209 O GLY A 77 9.921 -13.631 2.864 1.00 0.00 O ATOM 0 H GLY A 77 8.660 -15.310 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.449 -15.485 1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.215 -14.076 0.409 1.00 0.00 H new ATOM 1213 N THR A 78 8.569 -12.862 1.238 1.00 0.00 N ATOM 1214 CA THR A 78 7.836 -11.969 2.128 1.00 0.00 C ATOM 1215 C THR A 78 6.500 -12.583 2.539 1.00 0.00 C ATOM 1216 O THR A 78 5.710 -13.003 1.694 1.00 0.00 O ATOM 1217 CB THR A 78 7.599 -10.620 1.448 1.00 0.00 C ATOM 1218 OG1 THR A 78 7.917 -9.556 2.326 1.00 0.00 O ATOM 1219 CG2 THR A 78 6.171 -10.423 0.987 1.00 0.00 C ATOM 0 H THR A 78 8.256 -12.844 0.267 1.00 0.00 H new ATOM 0 HA THR A 78 8.438 -11.818 3.024 1.00 0.00 H new ATOM 0 HB THR A 78 8.248 -10.620 0.573 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.093 -9.200 2.720 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.073 -9.446 0.514 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.909 -11.201 0.270 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.501 -10.479 1.845 1.00 0.00 H new ATOM 1227 N LYS A 79 6.256 -12.629 3.845 1.00 0.00 N ATOM 1228 CA LYS A 79 5.017 -13.188 4.374 1.00 0.00 C ATOM 1229 C LYS A 79 4.106 -12.085 4.901 1.00 0.00 C ATOM 1230 O LYS A 79 4.567 -11.133 5.529 1.00 0.00 O ATOM 1231 CB LYS A 79 5.321 -14.193 5.486 1.00 0.00 C ATOM 1232 CG LYS A 79 4.232 -15.235 5.678 1.00 0.00 C ATOM 1233 CD LYS A 79 3.607 -15.631 4.343 1.00 0.00 C ATOM 1234 CE LYS A 79 4.658 -16.067 3.346 1.00 0.00 C ATOM 1235 NZ LYS A 79 5.549 -17.128 3.895 1.00 0.00 N ATOM 0 H LYS A 79 6.901 -12.286 4.557 1.00 0.00 H new ATOM 0 HA LYS A 79 4.502 -13.702 3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.260 -14.698 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.466 -13.654 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.650 -16.117 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.461 -14.842 6.341 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.895 -16.441 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.047 -14.788 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.170 -16.436 2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.259 -15.206 3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.922 -17.706 3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.339 -16.687 4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.008 -17.733 4.546 1.00 0.00 H new ATOM 1249 N MET A 80 2.808 -12.222 4.646 1.00 0.00 N ATOM 1250 CA MET A 80 1.835 -11.235 5.102 1.00 0.00 C ATOM 1251 C MET A 80 1.045 -11.763 6.296 1.00 0.00 C ATOM 1252 O MET A 80 0.250 -12.695 6.164 1.00 0.00 O ATOM 1253 CB MET A 80 0.879 -10.867 3.965 1.00 0.00 C ATOM 1254 CG MET A 80 1.420 -9.788 3.041 1.00 0.00 C ATOM 1255 SD MET A 80 1.262 -8.134 3.740 1.00 0.00 S ATOM 1256 CE MET A 80 -0.134 -7.505 2.811 1.00 0.00 C ATOM 0 H MET A 80 2.407 -13.004 4.128 1.00 0.00 H new ATOM 0 HA MET A 80 2.378 -10.343 5.414 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.663 -11.761 3.379 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.066 -10.529 4.391 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.470 -9.990 2.828 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.889 -9.829 2.090 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.120 -6.534 2.386 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.380 -8.200 2.008 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.993 -7.398 3.473 1.00 0.00 H new ATOM 1266 N ILE A 81 1.443 -11.291 7.467 1.00 0.00 N ATOM 1267 CA ILE A 81 0.898 -11.617 8.779 1.00 0.00 C ATOM 1268 C ILE A 81 -0.139 -10.587 9.217 1.00 0.00 C ATOM 1269 O ILE A 81 0.111 -9.383 9.170 1.00 0.00 O ATOM 1270 CB ILE A 81 2.005 -11.697 9.848 1.00 0.00 C ATOM 1271 CG1 ILE A 81 3.018 -12.783 9.482 1.00 0.00 C ATOM 1272 CG2 ILE A 81 1.403 -11.963 11.219 1.00 0.00 C ATOM 1273 CD1 ILE A 81 4.170 -12.280 8.643 1.00 0.00 C ATOM 0 H ILE A 81 2.210 -10.622 7.532 1.00 0.00 H new ATOM 0 HA ILE A 81 0.422 -12.593 8.686 1.00 0.00 H new ATOM 0 HB ILE A 81 2.525 -10.739 9.884 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.412 -13.224 10.398 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.506 -13.578 8.941 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.199 -12.016 11.962 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.718 -11.156 11.479 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.860 -12.908 11.201 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.847 -13.105 8.423 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.787 -11.866 7.710 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.708 -11.506 9.190 1.00 0.00 H new ATOM 1285 N PHE A 82 -1.302 -11.068 9.642 1.00 0.00 N ATOM 1286 CA PHE A 82 -2.474 -10.170 10.089 1.00 0.00 C ATOM 1287 C PHE A 82 -3.335 -9.717 8.914 1.00 0.00 C ATOM 1288 O PHE A 82 -2.948 -9.864 7.755 1.00 0.00 O ATOM 1289 CB PHE A 82 -1.895 -8.952 10.811 1.00 0.00 C ATOM 1290 CG PHE A 82 -2.845 -8.331 11.796 1.00 0.00 C ATOM 1291 CD1 PHE A 82 -2.899 -8.778 13.095 1.00 0.00 C ATOM 1292 CD2 PHE A 82 -3.683 -7.296 11.411 1.00 0.00 C ATOM 1293 CE1 PHE A 82 -3.772 -8.213 14.012 1.00 0.00 C ATOM 1294 CE2 PHE A 82 -4.559 -6.723 12.315 1.00 0.00 C ATOM 1295 CZ PHE A 82 -4.603 -7.181 13.617 1.00 0.00 C ATOM 0 H PHE A 82 -1.504 -12.066 9.703 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.120 -10.746 10.751 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.985 -9.248 11.333 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.610 -8.203 10.072 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.250 -9.583 13.407 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.651 -6.933 10.394 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.803 -8.577 15.028 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.208 -5.918 12.003 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.285 -6.734 14.325 1.00 0.00 H new ATOM 1305 N ALA A 83 -4.505 -9.169 9.224 1.00 0.00 N ATOM 1306 CA ALA A 83 -5.424 -8.692 8.196 1.00 0.00 C ATOM 1307 C ALA A 83 -6.871 -8.970 8.584 1.00 0.00 C ATOM 1308 O ALA A 83 -7.424 -10.018 8.252 1.00 0.00 O ATOM 1309 CB ALA A 83 -5.102 -9.342 6.859 1.00 0.00 C ATOM 0 H ALA A 83 -4.840 -9.044 10.179 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.299 -7.613 8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.795 -8.977 6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.082 -9.091 6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.198 -10.424 6.948 1.00 0.00 H new ATOM 1315 N GLY A 84 -7.481 -8.025 9.293 1.00 0.00 N ATOM 1316 CA GLY A 84 -8.858 -8.189 9.714 1.00 0.00 C ATOM 1317 C GLY A 84 -9.845 -7.875 8.609 1.00 0.00 C ATOM 1318 O GLY A 84 -11.038 -7.703 8.859 1.00 0.00 O ATOM 0 H GLY A 84 -7.045 -7.149 9.583 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.011 -9.214 10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.054 -7.539 10.567 1.00 0.00 H new ATOM 1322 N ILE A 85 -9.347 -7.803 7.380 1.00 0.00 N ATOM 1323 CA ILE A 85 -10.191 -7.512 6.228 1.00 0.00 C ATOM 1324 C ILE A 85 -9.923 -8.491 5.091 1.00 0.00 C ATOM 1325 O ILE A 85 -8.797 -8.953 4.907 1.00 0.00 O ATOM 1326 CB ILE A 85 -9.968 -6.076 5.713 1.00 0.00 C ATOM 1327 CG1 ILE A 85 -10.315 -5.061 6.805 1.00 0.00 C ATOM 1328 CG2 ILE A 85 -10.801 -5.826 4.465 1.00 0.00 C ATOM 1329 CD1 ILE A 85 -11.566 -4.259 6.509 1.00 0.00 C ATOM 0 H ILE A 85 -8.362 -7.942 7.156 1.00 0.00 H new ATOM 0 HA ILE A 85 -11.224 -7.615 6.561 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.916 -5.957 5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.445 -5.587 7.751 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.476 -4.377 6.934 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.633 -4.808 4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.511 -6.532 3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -11.857 -5.959 4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.752 -3.560 7.325 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.432 -3.705 5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.416 -4.934 6.409 1.00 0.00 H new ATOM 1341 N LYS A 86 -10.965 -8.802 4.328 1.00 0.00 N ATOM 1342 CA LYS A 86 -10.842 -9.727 3.206 1.00 0.00 C ATOM 1343 C LYS A 86 -11.840 -9.380 2.109 1.00 0.00 C ATOM 1344 O LYS A 86 -11.521 -9.448 0.921 1.00 0.00 O ATOM 1345 CB LYS A 86 -11.059 -11.165 3.678 1.00 0.00 C ATOM 1346 CG LYS A 86 -12.024 -11.285 4.845 1.00 0.00 C ATOM 1347 CD LYS A 86 -11.353 -11.900 6.061 1.00 0.00 C ATOM 1348 CE LYS A 86 -12.046 -11.482 7.350 1.00 0.00 C ATOM 1349 NZ LYS A 86 -11.115 -11.502 8.512 1.00 0.00 N ATOM 0 H LYS A 86 -11.904 -8.428 4.465 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.835 -9.637 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.435 -11.759 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.099 -11.592 3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.411 -10.299 5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.878 -11.896 4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.366 -12.987 5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.307 -11.596 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.458 -10.480 7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.884 -12.151 7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.625 -11.211 9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.741 -12.464 8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.328 -10.845 8.338 1.00 0.00 H new ATOM 1363 N LYS A 87 -13.069 -9.021 2.508 1.00 0.00 N ATOM 1364 CA LYS A 87 -14.091 -8.645 1.572 1.00 0.00 C ATOM 1365 C LYS A 87 -13.506 -7.919 0.364 1.00 0.00 C ATOM 1366 O LYS A 87 -12.949 -6.829 0.494 1.00 0.00 O ATOM 1367 CB LYS A 87 -15.130 -7.760 2.258 1.00 0.00 C ATOM 1368 CG LYS A 87 -16.550 -8.277 2.123 1.00 0.00 C ATOM 1369 CD LYS A 87 -17.122 -8.693 3.469 1.00 0.00 C ATOM 1370 CE LYS A 87 -18.387 -9.517 3.306 1.00 0.00 C ATOM 1371 NZ LYS A 87 -18.200 -10.642 2.350 1.00 0.00 N ATOM 0 H LYS A 87 -13.362 -8.989 3.484 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.568 -9.558 1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.882 -7.675 3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.076 -6.756 1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.179 -7.504 1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.565 -9.127 1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.379 -9.271 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.339 -7.805 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.690 -9.912 4.276 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.195 -8.875 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.913 -11.376 2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.307 -10.292 1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.249 -11.045 2.470 1.00 0.00 H new ATOM 1385 N LYS A 88 -13.637 -8.529 -0.809 1.00 0.00 N ATOM 1386 CA LYS A 88 -13.123 -7.938 -2.039 1.00 0.00 C ATOM 1387 C LYS A 88 -13.579 -6.490 -2.177 1.00 0.00 C ATOM 1388 O LYS A 88 -12.827 -5.633 -2.640 1.00 0.00 O ATOM 1389 CB LYS A 88 -13.584 -8.749 -3.251 1.00 0.00 C ATOM 1390 CG LYS A 88 -13.113 -8.130 -4.670 1.00 0.00 C ATOM 1391 CD LYS A 88 -13.347 -9.106 -5.811 1.00 0.00 C ATOM 1392 CE LYS A 88 -13.460 -10.579 -5.219 1.00 0.00 C ATOM 1393 NZ LYS A 88 -14.680 -10.791 -4.394 1.00 0.00 N ATOM 0 H LYS A 88 -14.095 -9.432 -0.934 1.00 0.00 H new ATOM 0 HA LYS A 88 -12.034 -7.954 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.200 -9.765 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.672 -8.817 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.658 -7.206 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.055 -7.872 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -14.259 -8.845 -6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.528 -9.050 -6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.457 -11.295 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.579 -10.788 -4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.410 -10.891 -3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.317 -9.976 -4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.167 -11.654 -4.709 1.00 0.00 H new ATOM 1407 N THR A 89 -14.818 -6.227 -1.775 1.00 0.00 N ATOM 1408 CA THR A 89 -15.378 -4.884 -1.855 1.00 0.00 C ATOM 1409 C THR A 89 -14.699 -3.947 -0.860 1.00 0.00 C ATOM 1410 O THR A 89 -14.583 -2.747 -1.103 1.00 0.00 O ATOM 1411 CB THR A 89 -16.883 -4.923 -1.586 1.00 0.00 C ATOM 1412 OG1 THR A 89 -17.148 -4.815 -0.199 1.00 0.00 O ATOM 1413 CG2 THR A 89 -17.546 -6.190 -2.082 1.00 0.00 C ATOM 0 H THR A 89 -15.453 -6.927 -1.391 1.00 0.00 H new ATOM 0 HA THR A 89 -15.201 -4.504 -2.861 1.00 0.00 H new ATOM 0 HB THR A 89 -17.296 -4.076 -2.134 1.00 0.00 H new ATOM 0 HG1 THR A 89 -18.116 -4.840 -0.048 1.00 0.00 H new ATOM 0 HG21 THR A 89 -18.612 -6.154 -1.860 1.00 0.00 H new ATOM 0 HG22 THR A 89 -17.402 -6.278 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 89 -17.101 -7.052 -1.585 1.00 0.00 H new ATOM 1421 N GLU A 90 -14.185 -4.451 0.233 1.00 0.00 N ATOM 1422 CA GLU A 90 -13.512 -3.667 1.263 1.00 0.00 C ATOM 1423 C GLU A 90 -12.103 -3.305 0.814 1.00 0.00 C ATOM 1424 O GLU A 90 -11.679 -2.154 0.921 1.00 0.00 O ATOM 1425 CB GLU A 90 -13.457 -4.448 2.579 1.00 0.00 C ATOM 1426 CG GLU A 90 -14.819 -4.923 3.059 1.00 0.00 C ATOM 1427 CD GLU A 90 -15.423 -4.002 4.102 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -15.952 -2.937 3.717 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -15.368 -4.345 5.301 1.00 0.00 O ATOM 0 H GLU A 90 -14.219 -5.448 0.447 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.079 -2.750 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.804 -5.311 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.009 -3.818 3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.496 -4.995 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.724 -5.926 3.476 1.00 0.00 H new ATOM 1436 N ARG A 91 -11.388 -4.300 0.304 1.00 0.00 N ATOM 1437 CA ARG A 91 -10.029 -4.103 -0.175 1.00 0.00 C ATOM 1438 C ARG A 91 -10.004 -3.111 -1.334 1.00 0.00 C ATOM 1439 O ARG A 91 -9.238 -2.148 -1.325 1.00 0.00 O ATOM 1440 CB ARG A 91 -9.303 -5.371 -0.627 1.00 0.00 C ATOM 1441 CG ARG A 91 -8.897 -6.280 0.518 1.00 0.00 C ATOM 1442 CD ARG A 91 -7.541 -6.918 0.268 1.00 0.00 C ATOM 1443 NE ARG A 91 -7.571 -8.365 0.467 1.00 0.00 N ATOM 1444 CZ ARG A 91 -6.781 -9.213 -0.180 1.00 0.00 C ATOM 1445 NH1 ARG A 91 -5.901 -8.760 -1.064 1.00 0.00 N ATOM 1446 NH2 ARG A 91 -6.867 -10.515 0.055 1.00 0.00 N ATOM 0 H ARG A 91 -11.731 -5.256 0.212 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.496 -3.725 0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.948 -5.925 -1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.413 -5.089 -1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.866 -5.707 1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.648 -7.059 0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.220 -6.699 -0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.803 -6.475 0.937 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.236 -8.745 1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.831 -7.759 -1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.295 -9.413 -1.560 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.541 -10.867 0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.259 -11.164 -0.444 1.00 0.00 H new ATOM 1460 N GLU A 92 -10.882 -3.361 -2.370 1.00 0.00 N ATOM 1461 CA GLU A 92 -10.960 -2.490 -3.537 1.00 0.00 C ATOM 1462 C GLU A 92 -11.315 -1.060 -3.136 1.00 0.00 C ATOM 1463 O GLU A 92 -10.781 -0.099 -3.672 1.00 0.00 O ATOM 1464 CB GLU A 92 -11.995 -3.022 -4.530 1.00 0.00 C ATOM 1465 CG GLU A 92 -11.926 -2.357 -5.894 1.00 0.00 C ATOM 1466 CD GLU A 92 -10.618 -2.629 -6.611 1.00 0.00 C ATOM 1467 OE1 GLU A 92 -9.851 -3.494 -6.137 1.00 0.00 O ATOM 1468 OE2 GLU A 92 -10.361 -1.978 -7.645 1.00 0.00 O ATOM 0 H GLU A 92 -11.524 -4.154 -2.393 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.979 -2.480 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.852 -4.096 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.992 -2.878 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.753 -2.711 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.054 -1.281 -5.776 1.00 0.00 H new ATOM 1475 N ASP A 93 -12.220 -0.940 -2.158 1.00 0.00 N ATOM 1476 CA ASP A 93 -12.643 0.361 -1.680 1.00 0.00 C ATOM 1477 C ASP A 93 -11.448 1.152 -1.141 1.00 0.00 C ATOM 1478 O ASP A 93 -11.251 2.378 -1.445 1.00 0.00 O ATOM 1479 CB ASP A 93 -13.700 0.218 -0.582 1.00 0.00 C ATOM 1480 CG ASP A 93 -13.925 1.535 0.264 1.00 0.00 C ATOM 1481 OD1 ASP A 93 -14.380 1.463 1.425 1.00 0.00 O ATOM 1482 OD2 ASP A 93 -13.644 2.641 -0.352 1.00 0.00 O ATOM 0 H ASP A 93 -12.666 -1.729 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.077 0.901 -2.521 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.646 -0.076 -1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.405 -0.588 0.090 1.00 0.00 H new ATOM 1487 N GLY A 94 -10.636 0.493 -0.322 1.00 0.00 N ATOM 1488 CA GLY A 94 -9.454 1.194 0.261 1.00 0.00 C ATOM 1489 C GLY A 94 -8.511 1.678 -0.820 1.00 0.00 C ATOM 1490 O GLY A 94 -7.884 2.729 -0.683 1.00 0.00 O ATOM 0 H GLY A 94 -10.748 -0.482 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.790 2.041 0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.924 0.519 0.933 1.00 0.00 H new ATOM 1494 N ILE A 95 -8.425 0.856 -1.925 1.00 0.00 N ATOM 1495 CA ILE A 95 -7.558 1.207 -3.039 1.00 0.00 C ATOM 1496 C ILE A 95 -7.963 2.591 -3.632 1.00 0.00 C ATOM 1497 O ILE A 95 -7.126 3.403 -3.998 1.00 0.00 O ATOM 1498 CB ILE A 95 -7.572 0.110 -4.115 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -6.460 -0.897 -3.845 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -7.428 0.712 -5.508 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -6.286 -1.910 -4.949 1.00 0.00 C ATOM 0 H ILE A 95 -8.939 -0.018 -2.038 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.536 1.287 -2.667 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.531 -0.406 -4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.522 -0.361 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.673 -1.420 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.441 -0.085 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.255 1.397 -5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.485 1.255 -5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.478 -2.595 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.211 -2.472 -5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.042 -1.396 -5.879 1.00 0.00 H new ATOM 1513 N ALA A 96 -9.270 2.818 -3.730 1.00 0.00 N ATOM 1514 CA ALA A 96 -9.779 4.063 -4.290 1.00 0.00 C ATOM 1515 C ALA A 96 -9.224 5.247 -3.510 1.00 0.00 C ATOM 1516 O ALA A 96 -8.710 6.207 -4.089 1.00 0.00 O ATOM 1517 CB ALA A 96 -11.301 4.072 -4.270 1.00 0.00 C ATOM 0 H ALA A 96 -9.990 2.160 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.453 4.144 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.665 5.009 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.678 3.237 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.652 3.976 -3.243 1.00 0.00 H new ATOM 1523 N TYR A 97 -9.314 5.159 -2.186 1.00 0.00 N ATOM 1524 CA TYR A 97 -8.801 6.209 -1.319 1.00 0.00 C ATOM 1525 C TYR A 97 -7.304 6.378 -1.547 1.00 0.00 C ATOM 1526 O TYR A 97 -6.784 7.491 -1.534 1.00 0.00 O ATOM 1527 CB TYR A 97 -9.077 5.873 0.148 1.00 0.00 C ATOM 1528 CG TYR A 97 -8.307 6.737 1.122 1.00 0.00 C ATOM 1529 CD1 TYR A 97 -7.747 6.192 2.271 1.00 0.00 C ATOM 1530 CD2 TYR A 97 -8.144 8.097 0.894 1.00 0.00 C ATOM 1531 CE1 TYR A 97 -7.045 6.978 3.163 1.00 0.00 C ATOM 1532 CE2 TYR A 97 -7.441 8.890 1.783 1.00 0.00 C ATOM 1533 CZ TYR A 97 -6.895 8.326 2.916 1.00 0.00 C ATOM 1534 OH TYR A 97 -6.196 9.112 3.802 1.00 0.00 O ATOM 0 H TYR A 97 -9.737 4.372 -1.693 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.307 7.144 -1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.144 5.983 0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.826 4.827 0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.863 5.137 2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.573 8.543 0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.615 6.538 4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.321 9.946 1.590 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.183 10.037 3.479 1.00 0.00 H new ATOM 1544 N LEU A 98 -6.626 5.255 -1.765 1.00 0.00 N ATOM 1545 CA LEU A 98 -5.187 5.259 -2.010 1.00 0.00 C ATOM 1546 C LEU A 98 -4.862 6.024 -3.287 1.00 0.00 C ATOM 1547 O LEU A 98 -3.830 6.687 -3.380 1.00 0.00 O ATOM 1548 CB LEU A 98 -4.673 3.821 -2.122 1.00 0.00 C ATOM 1549 CG LEU A 98 -3.456 3.494 -1.258 1.00 0.00 C ATOM 1550 CD1 LEU A 98 -3.218 1.992 -1.221 1.00 0.00 C ATOM 1551 CD2 LEU A 98 -2.223 4.219 -1.780 1.00 0.00 C ATOM 0 H LEU A 98 -7.051 4.328 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.695 5.754 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.482 3.141 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.422 3.622 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.651 3.836 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.348 1.777 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.093 1.495 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.042 1.626 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.365 3.975 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.024 3.907 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.396 5.295 -1.756 1.00 0.00 H new ATOM 1563 N LYS A 99 -5.749 5.923 -4.272 1.00 0.00 N ATOM 1564 CA LYS A 99 -5.557 6.601 -5.547 1.00 0.00 C ATOM 1565 C LYS A 99 -5.439 8.107 -5.348 1.00 0.00 C ATOM 1566 O LYS A 99 -4.574 8.753 -5.938 1.00 0.00 O ATOM 1567 CB LYS A 99 -6.717 6.291 -6.495 1.00 0.00 C ATOM 1568 CG LYS A 99 -7.070 4.787 -6.582 1.00 0.00 C ATOM 1569 CD LYS A 99 -5.863 3.978 -6.980 1.00 0.00 C ATOM 1570 CE LYS A 99 -5.062 3.523 -5.772 1.00 0.00 C ATOM 1571 NZ LYS A 99 -5.107 1.990 -5.633 1.00 0.00 N ATOM 0 H LYS A 99 -6.608 5.377 -4.210 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.630 6.235 -5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.598 6.843 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.466 6.654 -7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.445 4.440 -5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.869 4.638 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.182 3.107 -7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.226 4.574 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.028 3.854 -5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.461 3.987 -4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.064 1.731 -4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.991 1.630 -6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.296 1.572 -6.133 1.00 0.00 H new ATOM 1585 N LYS A 100 -6.289 8.615 -4.495 1.00 0.00 N ATOM 1586 CA LYS A 100 -6.272 10.047 -4.222 1.00 0.00 C ATOM 1587 C LYS A 100 -5.140 10.400 -3.262 1.00 0.00 C ATOM 1588 O LYS A 100 -4.493 11.460 -3.390 1.00 0.00 O ATOM 1589 CB LYS A 100 -7.613 10.484 -3.626 1.00 0.00 C ATOM 1590 CG LYS A 100 -7.474 11.391 -2.414 1.00 0.00 C ATOM 1591 CD LYS A 100 -8.824 11.684 -1.781 1.00 0.00 C ATOM 1592 CE LYS A 100 -9.837 12.143 -2.815 1.00 0.00 C ATOM 1593 NZ LYS A 100 -9.595 13.548 -3.245 1.00 0.00 N ATOM 0 H LYS A 100 -6.991 8.082 -3.982 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.107 10.573 -5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.190 11.002 -4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.181 9.598 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.821 10.921 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.999 12.326 -2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.194 10.789 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.709 12.453 -1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.793 11.485 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.842 12.058 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.600 13.599 -4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.344 14.161 -2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.672 13.866 -2.888 1.00 0.00 H new ATOM 1607 N ALA A 101 -4.933 9.532 -2.323 1.00 0.00 N ATOM 1608 CA ALA A 101 -3.894 9.678 -1.309 1.00 0.00 C ATOM 1609 C ALA A 101 -2.527 9.838 -1.942 1.00 0.00 C ATOM 1610 O ALA A 101 -1.636 10.469 -1.372 1.00 0.00 O ATOM 1611 CB ALA A 101 -3.907 8.488 -0.361 1.00 0.00 C ATOM 0 H ALA A 101 -5.483 8.679 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.106 10.582 -0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.126 8.612 0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.877 8.426 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.727 7.572 -0.924 1.00 0.00 H new ATOM 1617 N THR A 102 -2.374 9.291 -3.136 1.00 0.00 N ATOM 1618 CA THR A 102 -1.122 9.406 -3.855 1.00 0.00 C ATOM 1619 C THR A 102 -1.305 10.482 -4.900 1.00 0.00 C ATOM 1620 O THR A 102 -0.353 11.133 -5.330 1.00 0.00 O ATOM 1621 CB THR A 102 -0.744 8.076 -4.509 1.00 0.00 C ATOM 1622 OG1 THR A 102 0.183 8.279 -5.561 1.00 0.00 O ATOM 1623 CG2 THR A 102 -1.932 7.333 -5.082 1.00 0.00 C ATOM 0 H THR A 102 -3.099 8.766 -3.624 1.00 0.00 H new ATOM 0 HA THR A 102 -0.313 9.666 -3.173 1.00 0.00 H new ATOM 0 HB THR A 102 -0.309 7.475 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.059 7.927 -5.298 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.595 6.399 -5.531 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.644 7.117 -4.286 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.413 7.948 -5.842 1.00 0.00 H new ATOM 1631 N ASN A 103 -2.619 10.818 -5.277 1.00 0.00 N ATOM 1632 CA ASN A 103 -2.977 11.874 -6.199 1.00 0.00 C ATOM 1633 C ASN A 103 -4.427 12.304 -5.984 1.00 0.00 C ATOM 1634 O ASN A 103 -5.356 11.564 -6.296 1.00 0.00 O ATOM 1635 CB ASN A 103 -2.777 11.410 -7.645 1.00 0.00 C ATOM 1636 CG ASN A 103 -1.724 10.325 -7.762 1.00 0.00 C ATOM 1637 OD1 ASN A 103 -0.566 10.602 -8.072 1.00 0.00 O ATOM 1638 ND2 ASN A 103 -2.124 9.084 -7.516 1.00 0.00 N ATOM 0 H ASN A 103 -3.432 10.321 -4.912 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.327 12.729 -6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.723 11.039 -8.039 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.488 12.262 -8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.460 8.312 -7.581 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.095 8.902 -7.262 1.00 0.00 H new ATOM 1645 N GLU A 104 -4.601 13.513 -5.476 1.00 0.00 N ATOM 1646 CA GLU A 104 -5.927 14.076 -5.231 1.00 0.00 C ATOM 1647 C GLU A 104 -5.880 15.096 -4.098 1.00 0.00 C ATOM 1648 O GLU A 104 -6.233 16.269 -4.345 1.00 0.00 O ATOM 1649 CB GLU A 104 -6.925 12.974 -4.893 1.00 0.00 C ATOM 1650 CG GLU A 104 -7.591 12.360 -6.116 1.00 0.00 C ATOM 1651 CD GLU A 104 -9.025 12.819 -6.289 1.00 0.00 C ATOM 1652 OE1 GLU A 104 -9.255 13.773 -7.063 1.00 0.00 O ATOM 1653 OE2 GLU A 104 -9.919 12.223 -5.653 1.00 0.00 O ATOM 1654 OXT GLU A 104 -5.405 14.698 -2.971 1.00 0.00 O ATOM 0 H GLU A 104 -3.833 14.133 -5.221 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.251 14.578 -6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.413 12.189 -4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.694 13.381 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.019 12.622 -7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.569 11.274 -6.031 1.00 0.00 H new TER 1661 GLU A 104 HETATM 1662 FE HEC A 201 1.650 -4.769 3.377 1.00 0.00 FE HETATM 1663 CHA HEC A 201 4.409 -4.864 1.413 1.00 0.00 C HETATM 1664 CHB HEC A 201 -0.009 -3.080 1.122 1.00 0.00 C HETATM 1665 CHC HEC A 201 -1.230 -5.634 4.913 1.00 0.00 C HETATM 1666 CHD HEC A 201 3.407 -5.855 5.970 1.00 0.00 C HETATM 1667 NA HEC A 201 2.097 -4.301 1.522 1.00 0.00 N HETATM 1668 C1A HEC A 201 3.353 -4.079 1.061 1.00 0.00 C HETATM 1669 C2A HEC A 201 3.429 -2.906 0.222 1.00 0.00 C HETATM 1670 C3A HEC A 201 2.185 -2.395 0.173 1.00 0.00 C HETATM 1671 C4A HEC A 201 1.350 -3.259 0.977 1.00 0.00 C HETATM 1672 CMA HEC A 201 1.751 -1.150 -0.582 1.00 0.00 C HETATM 1673 CAA HEC A 201 4.665 -2.353 -0.472 1.00 0.00 C HETATM 1674 CBA HEC A 201 4.452 -0.937 -0.983 1.00 0.00 C HETATM 1675 CGA HEC A 201 5.781 -0.341 -1.414 1.00 0.00 C HETATM 1676 O1A HEC A 201 5.961 0.843 -1.174 1.00 0.00 O HETATM 1677 O2A HEC A 201 6.571 -1.086 -1.971 1.00 0.00 O HETATM 1678 NB HEC A 201 -0.245 -4.492 3.022 1.00 0.00 N HETATM 1679 C1B HEC A 201 -0.766 -3.655 2.094 1.00 0.00 C HETATM 1680 C2B HEC A 201 -2.182 -3.437 2.286 1.00 0.00 C HETATM 1681 C3B HEC A 201 -2.537 -4.196 3.439 1.00 0.00 C HETATM 1682 C4B HEC A 201 -1.319 -4.813 3.819 1.00 0.00 C HETATM 1683 CMB HEC A 201 -3.101 -2.567 1.444 1.00 0.00 C HETATM 1684 CAB HEC A 201 -3.924 -4.286 4.032 1.00 0.00 C HETATM 1685 CBB HEC A 201 -5.102 -4.217 3.028 1.00 0.00 C HETATM 1686 NC HEC A 201 1.190 -5.505 5.127 1.00 0.00 N HETATM 1687 C1C HEC A 201 -0.060 -5.921 5.565 1.00 0.00 C HETATM 1688 C2C HEC A 201 0.032 -6.705 6.781 1.00 0.00 C HETATM 1689 C3C HEC A 201 1.418 -6.777 7.075 1.00 0.00 C HETATM 1690 C4C HEC A 201 2.044 -6.030 6.059 1.00 0.00 C HETATM 1691 CMC HEC A 201 -1.113 -7.333 7.568 1.00 0.00 C HETATM 1692 CAC HEC A 201 2.033 -7.451 8.232 1.00 0.00 C HETATM 1693 CBC HEC A 201 2.412 -8.894 8.524 1.00 0.00 C HETATM 1694 ND HEC A 201 3.537 -5.271 3.645 1.00 0.00 N HETATM 1695 C1D HEC A 201 4.121 -5.726 4.803 1.00 0.00 C HETATM 1696 C2D HEC A 201 5.518 -6.027 4.637 1.00 0.00 C HETATM 1697 C3D HEC A 201 5.797 -5.748 3.354 1.00 0.00 C HETATM 1698 C4D HEC A 201 4.586 -5.274 2.715 1.00 0.00 C HETATM 1699 CMD HEC A 201 6.473 -6.552 5.700 1.00 0.00 C HETATM 1700 CAD HEC A 201 7.120 -5.872 2.601 1.00 0.00 C HETATM 1701 CBD HEC A 201 7.024 -6.748 1.362 1.00 0.00 C HETATM 1702 CGD HEC A 201 5.632 -7.364 1.249 1.00 0.00 C HETATM 1703 O1D HEC A 201 5.178 -7.501 0.125 1.00 0.00 O HETATM 1704 O2D HEC A 201 5.076 -7.671 2.292 1.00 0.00 O HETATM 0 HMD3 HEC A 201 6.526 -5.841 6.524 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 6.113 -7.511 6.071 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 7.465 -6.680 5.267 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 -1.797 -6.552 7.901 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 -1.648 -8.038 6.932 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 -0.713 -7.859 8.435 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 -2.747 -1.536 1.465 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 -3.103 -2.929 0.416 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 -4.113 -2.611 1.846 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 2.304 -0.288 -0.210 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 1.953 -1.280 -1.645 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 0.683 -0.988 -0.433 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 7.239 -6.155 0.473 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.775 -7.537 1.408 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 1.521 -9.521 8.477 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 3.136 -9.237 7.785 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 2.851 -8.961 9.519 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 -5.066 -3.270 2.489 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 -5.024 -5.041 2.319 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 -6.046 -4.291 3.569 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.757 -0.944 -1.822 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 4.003 -0.322 -0.203 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 7.459 -4.878 2.310 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 7.875 -6.283 3.271 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 5.505 -2.364 0.222 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 4.932 -3.002 -1.306 1.00 0.00 H new HETATM 0 HHD HEC A 201 3.967 -5.815 6.904 1.00 0.00 H new HETATM 0 HHC HEC A 201 -2.148 -6.087 5.288 1.00 0.00 H new HETATM 0 HHB HEC A 201 -0.513 -2.431 0.406 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.125 -5.172 0.652 1.00 0.00 H new