USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 862 hydrogens (28 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot -92:sc= 0.19 USER MOD Set 1.2: A 67 SER OG : rot -140:sc= 0.0665 USER MOD Set 1.3: A 70 GLN : amide:sc= -2.86! K(o=-2.6!,f=0.23) USER MOD Set 2.1: A 25 HIS : no HD1:sc= 0.642 K(o=2.4,f=-6.6!) USER MOD Set 2.2: A 39 SER OG : rot 90:sc= 1.75 USER MOD Set 3.1: A 27 THR OG1 : rot 180:sc= 1.26 USER MOD Set 3.2: A 38 SER OG : rot 104:sc= 0.713 USER MOD Set 4.1: A 1 GLY N :NH3+ -168:sc= 0.896 (180deg=0.00225) USER MOD Set 4.2: A 77 SER OG : rot 138:sc= 1.93 USER MOD Single : A 3 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.5) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0.696 (180deg=0.695) USER MOD Single : A 20 GLN : amide:sc= 0.319 K(o=0.32,f=-5.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -37:sc= 0.993 USER MOD Single : A 29 MET CE :methyl -113:sc= -0.0247 (180deg=-0.26) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -0.164 (180deg=-0.808) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 0.587 (180deg=0.455) USER MOD Single : A 43 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.2) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc=-0.000126 (180deg=-0.107) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0.245 (180deg=0.0538) USER MOD Single : A 49 MET CE :methyl -161:sc= -0.482 (180deg=-1.45!) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 0.0535 (180deg=0.0048) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 65 GLN : amide:sc= 0.248 X(o=0.25,f=0) USER MOD Single : A 66 MET CE :methyl 140:sc= -0.0901 (180deg=-0.543) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0.0383 (180deg=0.0258) USER MOD Single : A 75 THR OG1 : rot 91:sc= 0.788 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.258 K(o=-0.26,f=-1.1) USER MOD Single : A 94 HIS : no HD1:sc=-0.00458 X(o=-0.0046,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -153:sc= 0.248 (180deg=0.0564) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.465 -5.054 -15.083 1.00 6.24 N ATOM 2 CA GLY A 1 -8.314 -5.797 -14.588 1.00 5.48 C ATOM 3 C GLY A 1 -7.282 -4.752 -14.177 1.00 6.33 C ATOM 4 O GLY A 1 -7.667 -3.601 -13.962 1.00 5.75 O ATOM 0 H1 GLY A 1 -10.275 -5.698 -15.188 1.00 6.24 H new ATOM 0 H2 GLY A 1 -9.707 -4.300 -14.409 1.00 6.24 H new ATOM 0 H3 GLY A 1 -9.236 -4.633 -16.006 1.00 6.24 H new ATOM 0 HA2 GLY A 1 -8.590 -6.426 -13.742 1.00 5.48 H new ATOM 0 HA3 GLY A 1 -7.915 -6.457 -15.358 1.00 5.48 H new ATOM 10 N VAL A 2 -6.010 -5.158 -14.102 1.00 5.47 N ATOM 11 CA VAL A 2 -4.866 -4.304 -13.808 1.00 4.13 C ATOM 12 C VAL A 2 -3.933 -4.625 -14.974 1.00 4.43 C ATOM 13 O VAL A 2 -3.891 -5.737 -15.515 1.00 5.81 O ATOM 14 CB VAL A 2 -4.307 -4.689 -12.397 1.00 3.49 C ATOM 15 CG1 VAL A 2 -4.107 -6.188 -12.266 1.00 4.13 C ATOM 16 CG2 VAL A 2 -2.957 -4.008 -12.171 1.00 6.35 C ATOM 0 H VAL A 2 -5.744 -6.131 -14.251 1.00 5.47 H new ATOM 0 HA VAL A 2 -5.054 -3.232 -13.742 1.00 4.13 H new ATOM 0 HB VAL A 2 -5.037 -4.360 -11.657 1.00 3.49 H new ATOM 0 HG11 VAL A 2 -3.718 -6.418 -11.274 1.00 4.13 H new ATOM 0 HG12 VAL A 2 -5.061 -6.696 -12.409 1.00 4.13 H new ATOM 0 HG13 VAL A 2 -3.398 -6.528 -13.021 1.00 4.13 H new ATOM 0 HG21 VAL A 2 -2.573 -4.279 -11.188 1.00 6.35 H new ATOM 0 HG22 VAL A 2 -2.253 -4.332 -12.938 1.00 6.35 H new ATOM 0 HG23 VAL A 2 -3.081 -2.927 -12.226 1.00 6.35 H new ATOM 26 N GLN A 3 -3.253 -3.619 -15.448 1.00 4.31 N ATOM 27 CA GLN A 3 -2.298 -3.707 -16.528 1.00 5.50 C ATOM 28 C GLN A 3 -0.983 -3.300 -15.849 1.00 5.28 C ATOM 29 O GLN A 3 -0.959 -2.267 -15.177 1.00 5.22 O ATOM 30 CB GLN A 3 -2.733 -2.709 -17.511 1.00 7.13 C ATOM 31 CG GLN A 3 -1.782 -2.417 -18.617 1.00 11.82 C ATOM 32 CD GLN A 3 -2.422 -1.325 -19.439 1.00 15.85 C ATOM 33 OE1 GLN A 3 -3.568 -1.500 -19.864 1.00 16.98 O ATOM 34 NE2 GLN A 3 -1.764 -0.190 -19.654 1.00 16.20 N ATOM 0 H GLN A 3 -3.350 -2.673 -15.080 1.00 4.31 H new ATOM 0 HA GLN A 3 -2.201 -4.672 -17.026 1.00 5.50 H new ATOM 0 HB2 GLN A 3 -3.673 -3.046 -17.948 1.00 7.13 H new ATOM 0 HB3 GLN A 3 -2.942 -1.778 -16.984 1.00 7.13 H new ATOM 0 HG2 GLN A 3 -0.816 -2.096 -18.227 1.00 11.82 H new ATOM 0 HG3 GLN A 3 -1.602 -3.306 -19.222 1.00 11.82 H new ATOM 0 HE21 GLN A 3 -0.818 -0.072 -19.291 1.00 16.20 H new ATOM 0 HE22 GLN A 3 -2.205 0.563 -20.182 1.00 16.20 H new ATOM 43 N VAL A 4 0.093 -4.057 -15.996 1.00 5.58 N ATOM 44 CA VAL A 4 1.372 -3.821 -15.327 1.00 3.08 C ATOM 45 C VAL A 4 2.302 -3.361 -16.467 1.00 3.85 C ATOM 46 O VAL A 4 2.464 -4.069 -17.478 1.00 2.22 O ATOM 47 CB VAL A 4 1.886 -5.178 -14.673 1.00 2.68 C ATOM 48 CG1 VAL A 4 3.276 -4.926 -14.096 1.00 2.05 C ATOM 49 CG2 VAL A 4 0.943 -5.730 -13.559 1.00 2.28 C ATOM 0 H VAL A 4 0.105 -4.878 -16.601 1.00 5.58 H new ATOM 0 HA VAL A 4 1.319 -3.088 -14.522 1.00 3.08 H new ATOM 0 HB VAL A 4 1.905 -5.939 -15.453 1.00 2.68 H new ATOM 0 HG11 VAL A 4 3.652 -5.842 -13.641 1.00 2.05 H new ATOM 0 HG12 VAL A 4 3.950 -4.614 -14.894 1.00 2.05 H new ATOM 0 HG13 VAL A 4 3.220 -4.142 -13.341 1.00 2.05 H new ATOM 0 HG21 VAL A 4 1.356 -6.656 -13.159 1.00 2.28 H new ATOM 0 HG22 VAL A 4 0.856 -4.995 -12.759 1.00 2.28 H new ATOM 0 HG23 VAL A 4 -0.043 -5.925 -13.981 1.00 2.28 H new ATOM 59 N GLU A 5 2.825 -2.146 -16.447 1.00 2.00 N ATOM 60 CA GLU A 5 3.747 -1.705 -17.484 1.00 3.34 C ATOM 61 C GLU A 5 5.031 -1.377 -16.749 1.00 2.00 C ATOM 62 O GLU A 5 5.012 -0.611 -15.784 1.00 2.94 O ATOM 63 CB GLU A 5 3.234 -0.452 -18.200 1.00 5.96 C ATOM 64 CG GLU A 5 1.701 -0.538 -18.510 1.00 12.28 C ATOM 65 CD GLU A 5 0.886 0.657 -17.975 1.00 12.80 C ATOM 66 OE1 GLU A 5 0.964 1.681 -18.662 1.00 11.78 O ATOM 67 OE2 GLU A 5 0.193 0.566 -16.928 1.00 10.77 O ATOM 0 H GLU A 5 2.629 -1.449 -15.728 1.00 2.00 H new ATOM 0 HA GLU A 5 3.874 -2.472 -18.249 1.00 3.34 H new ATOM 0 HB2 GLU A 5 3.430 0.424 -17.582 1.00 5.96 H new ATOM 0 HB3 GLU A 5 3.785 -0.315 -19.131 1.00 5.96 H new ATOM 0 HG2 GLU A 5 1.562 -0.606 -19.589 1.00 12.28 H new ATOM 0 HG3 GLU A 5 1.304 -1.457 -18.079 1.00 12.28 H new ATOM 74 N THR A 6 6.169 -1.945 -17.098 1.00 2.69 N ATOM 75 CA THR A 6 7.427 -1.699 -16.390 1.00 2.32 C ATOM 76 C THR A 6 8.101 -0.338 -16.681 1.00 2.06 C ATOM 77 O THR A 6 8.133 0.151 -17.809 1.00 2.01 O ATOM 78 CB THR A 6 8.333 -2.889 -16.754 1.00 3.24 C ATOM 79 OG1 THR A 6 7.608 -4.083 -16.405 1.00 2.71 O ATOM 80 CG2 THR A 6 9.707 -2.779 -16.120 1.00 2.00 C ATOM 0 H THR A 6 6.256 -2.593 -17.881 1.00 2.69 H new ATOM 0 HA THR A 6 7.232 -1.627 -15.320 1.00 2.32 H new ATOM 0 HB THR A 6 8.555 -2.908 -17.821 1.00 3.24 H new ATOM 0 HG1 THR A 6 7.835 -4.348 -15.489 1.00 2.71 H new ATOM 0 HG21 THR A 6 10.310 -3.641 -16.406 1.00 2.00 H new ATOM 0 HG22 THR A 6 10.194 -1.866 -16.463 1.00 2.00 H new ATOM 0 HG23 THR A 6 9.606 -2.751 -15.035 1.00 2.00 H new ATOM 88 N ILE A 7 8.651 0.283 -15.642 1.00 2.06 N ATOM 89 CA ILE A 7 9.484 1.493 -15.701 1.00 3.36 C ATOM 90 C ILE A 7 10.945 1.007 -15.555 1.00 3.28 C ATOM 91 O ILE A 7 11.794 1.313 -16.396 1.00 2.33 O ATOM 92 CB ILE A 7 9.078 2.464 -14.539 1.00 2.81 C ATOM 93 CG1 ILE A 7 7.617 2.854 -14.789 1.00 2.08 C ATOM 94 CG2 ILE A 7 9.961 3.737 -14.454 1.00 2.00 C ATOM 95 CD1 ILE A 7 6.962 3.704 -13.689 1.00 4.79 C ATOM 0 H ILE A 7 8.526 -0.055 -14.688 1.00 2.06 H new ATOM 0 HA ILE A 7 9.357 2.044 -16.633 1.00 3.36 H new ATOM 0 HB ILE A 7 9.218 1.953 -13.586 1.00 2.81 H new ATOM 0 HG12 ILE A 7 7.561 3.402 -15.729 1.00 2.08 H new ATOM 0 HG13 ILE A 7 7.033 1.943 -14.916 1.00 2.08 H new ATOM 0 HG21 ILE A 7 9.621 4.361 -13.627 1.00 2.00 H new ATOM 0 HG22 ILE A 7 10.999 3.449 -14.289 1.00 2.00 H new ATOM 0 HG23 ILE A 7 9.884 4.296 -15.386 1.00 2.00 H new ATOM 0 HD11 ILE A 7 5.931 3.924 -13.965 1.00 4.79 H new ATOM 0 HD12 ILE A 7 6.977 3.155 -12.748 1.00 4.79 H new ATOM 0 HD13 ILE A 7 7.514 4.637 -13.573 1.00 4.79 H new ATOM 107 N SER A 8 11.285 0.209 -14.533 1.00 2.13 N ATOM 108 CA SER A 8 12.632 -0.325 -14.369 1.00 5.82 C ATOM 109 C SER A 8 12.467 -1.778 -13.921 1.00 3.98 C ATOM 110 O SER A 8 11.549 -2.093 -13.147 1.00 2.39 O ATOM 111 CB SER A 8 13.424 0.396 -13.283 1.00 4.18 C ATOM 112 OG SER A 8 13.399 1.784 -13.610 1.00 11.59 O ATOM 0 H SER A 8 10.633 -0.080 -13.804 1.00 2.13 H new ATOM 0 HA SER A 8 13.172 -0.208 -15.309 1.00 5.82 H new ATOM 0 HB2 SER A 8 12.982 0.222 -12.302 1.00 4.18 H new ATOM 0 HB3 SER A 8 14.449 0.027 -13.242 1.00 4.18 H new ATOM 0 HG SER A 8 13.898 2.288 -12.934 1.00 11.59 H new ATOM 118 N PRO A 9 13.287 -2.677 -14.455 1.00 4.08 N ATOM 119 CA PRO A 9 13.198 -4.116 -14.184 1.00 2.14 C ATOM 120 C PRO A 9 13.557 -4.451 -12.745 1.00 2.33 C ATOM 121 O PRO A 9 14.322 -3.714 -12.119 1.00 2.00 O ATOM 122 CB PRO A 9 14.136 -4.736 -15.167 1.00 2.10 C ATOM 123 CG PRO A 9 14.327 -3.677 -16.211 1.00 4.55 C ATOM 124 CD PRO A 9 14.315 -2.376 -15.444 1.00 3.80 C ATOM 0 HA PRO A 9 12.182 -4.495 -14.298 1.00 2.14 H new ATOM 0 HB2 PRO A 9 15.082 -5.008 -14.698 1.00 2.10 H new ATOM 0 HB3 PRO A 9 13.719 -5.647 -15.596 1.00 2.10 H new ATOM 0 HG2 PRO A 9 15.267 -3.813 -16.746 1.00 4.55 H new ATOM 0 HG3 PRO A 9 13.531 -3.706 -16.955 1.00 4.55 H new ATOM 0 HD2 PRO A 9 15.279 -2.152 -14.988 1.00 3.80 H new ATOM 0 HD3 PRO A 9 14.053 -1.524 -16.072 1.00 3.80 H new ATOM 132 N GLY A 10 13.027 -5.572 -12.276 1.00 2.00 N ATOM 133 CA GLY A 10 13.307 -6.125 -10.963 1.00 2.00 C ATOM 134 C GLY A 10 14.343 -7.251 -11.103 1.00 2.00 C ATOM 135 O GLY A 10 15.015 -7.344 -12.131 1.00 2.00 O ATOM 0 H GLY A 10 12.371 -6.137 -12.816 1.00 2.00 H new ATOM 0 HA2 GLY A 10 13.685 -5.347 -10.300 1.00 2.00 H new ATOM 0 HA3 GLY A 10 12.391 -6.510 -10.514 1.00 2.00 H new ATOM 139 N ASP A 11 14.525 -8.170 -10.162 1.00 2.00 N ATOM 140 CA ASP A 11 15.574 -9.183 -10.354 1.00 2.83 C ATOM 141 C ASP A 11 15.128 -10.357 -11.232 1.00 2.73 C ATOM 142 O ASP A 11 15.898 -11.270 -11.560 1.00 2.14 O ATOM 143 CB ASP A 11 16.059 -9.727 -8.990 1.00 2.14 C ATOM 144 CG ASP A 11 15.050 -10.535 -8.191 1.00 2.06 C ATOM 145 OD1 ASP A 11 13.887 -10.618 -8.548 1.00 3.24 O ATOM 146 OD2 ASP A 11 15.444 -11.104 -7.193 1.00 2.43 O ATOM 0 H ASP A 11 13.992 -8.242 -9.295 1.00 2.00 H new ATOM 0 HA ASP A 11 16.388 -8.677 -10.872 1.00 2.83 H new ATOM 0 HB2 ASP A 11 16.937 -10.350 -9.162 1.00 2.14 H new ATOM 0 HB3 ASP A 11 16.382 -8.883 -8.380 1.00 2.14 H new ATOM 151 N GLY A 12 13.823 -10.394 -11.534 1.00 2.91 N ATOM 152 CA GLY A 12 13.263 -11.489 -12.328 1.00 3.38 C ATOM 153 C GLY A 12 13.158 -12.792 -11.578 1.00 2.10 C ATOM 154 O GLY A 12 12.866 -13.789 -12.215 1.00 2.19 O ATOM 0 H GLY A 12 13.146 -9.688 -11.244 1.00 2.91 H new ATOM 0 HA2 GLY A 12 12.272 -11.201 -12.678 1.00 3.38 H new ATOM 0 HA3 GLY A 12 13.883 -11.638 -13.212 1.00 3.38 H new ATOM 158 N ARG A 13 13.361 -12.882 -10.266 1.00 3.67 N ATOM 159 CA ARG A 13 13.279 -14.167 -9.579 1.00 3.74 C ATOM 160 C ARG A 13 12.543 -14.116 -8.231 1.00 2.30 C ATOM 161 O ARG A 13 12.066 -15.154 -7.744 1.00 2.00 O ATOM 162 CB ARG A 13 14.706 -14.728 -9.312 1.00 8.46 C ATOM 163 CG ARG A 13 15.801 -14.463 -10.358 1.00 13.37 C ATOM 164 CD ARG A 13 17.212 -14.944 -10.003 1.00 17.99 C ATOM 165 NE ARG A 13 17.344 -16.354 -10.382 1.00 23.58 N ATOM 166 CZ ARG A 13 18.048 -16.733 -11.472 1.00 25.35 C ATOM 167 NH1 ARG A 13 18.706 -15.841 -12.233 1.00 26.59 N ATOM 168 NH2 ARG A 13 18.125 -18.035 -11.781 1.00 25.67 N ATOM 0 H ARG A 13 13.581 -12.089 -9.663 1.00 3.67 H new ATOM 0 HA ARG A 13 12.706 -14.808 -10.249 1.00 3.74 H new ATOM 0 HB2 ARG A 13 15.050 -14.322 -8.361 1.00 8.46 H new ATOM 0 HB3 ARG A 13 14.621 -15.807 -9.186 1.00 8.46 H new ATOM 0 HG2 ARG A 13 15.503 -14.938 -11.293 1.00 13.37 H new ATOM 0 HG3 ARG A 13 15.843 -13.390 -10.545 1.00 13.37 H new ATOM 0 HD2 ARG A 13 17.957 -14.343 -10.524 1.00 17.99 H new ATOM 0 HD3 ARG A 13 17.394 -14.822 -8.935 1.00 17.99 H new ATOM 0 HE ARG A 13 16.893 -17.067 -9.809 1.00 23.58 H new ATOM 0 HH11 ARG A 13 18.682 -14.850 -11.993 1.00 26.59 H new ATOM 0 HH12 ARG A 13 19.229 -16.155 -13.050 1.00 26.59 H new ATOM 0 HH21 ARG A 13 17.656 -18.727 -11.196 1.00 25.67 H new ATOM 0 HH22 ARG A 13 18.653 -18.334 -12.601 1.00 25.67 H new ATOM 182 N THR A 14 12.504 -12.985 -7.516 1.00 2.21 N ATOM 183 CA THR A 14 11.888 -12.893 -6.177 1.00 2.87 C ATOM 184 C THR A 14 10.553 -12.165 -6.280 1.00 3.02 C ATOM 185 O THR A 14 10.515 -10.928 -6.348 1.00 2.00 O ATOM 186 CB THR A 14 12.829 -12.116 -5.195 1.00 2.06 C ATOM 187 OG1 THR A 14 14.109 -12.626 -5.509 1.00 2.22 O ATOM 188 CG2 THR A 14 12.627 -12.311 -3.707 1.00 2.06 C ATOM 0 H THR A 14 12.898 -12.104 -7.846 1.00 2.21 H new ATOM 0 HA THR A 14 11.731 -13.901 -5.793 1.00 2.87 H new ATOM 0 HB THR A 14 12.644 -11.052 -5.339 1.00 2.06 H new ATOM 0 HG1 THR A 14 14.505 -12.094 -6.231 1.00 2.22 H new ATOM 0 HG21 THR A 14 13.352 -11.709 -3.159 1.00 2.06 H new ATOM 0 HG22 THR A 14 11.618 -12.002 -3.433 1.00 2.06 H new ATOM 0 HG23 THR A 14 12.765 -13.363 -3.456 1.00 2.06 H new ATOM 196 N PHE A 15 9.491 -12.977 -6.419 1.00 2.37 N ATOM 197 CA PHE A 15 8.120 -12.463 -6.534 1.00 3.88 C ATOM 198 C PHE A 15 7.374 -12.671 -5.209 1.00 2.49 C ATOM 199 O PHE A 15 7.667 -13.651 -4.487 1.00 3.42 O ATOM 200 CB PHE A 15 7.406 -13.175 -7.658 1.00 2.61 C ATOM 201 CG PHE A 15 8.044 -12.970 -9.036 1.00 4.70 C ATOM 202 CD1 PHE A 15 7.678 -11.893 -9.806 1.00 2.42 C ATOM 203 CD2 PHE A 15 8.994 -13.874 -9.522 1.00 3.62 C ATOM 204 CE1 PHE A 15 8.244 -11.710 -11.049 1.00 4.21 C ATOM 205 CE2 PHE A 15 9.538 -13.665 -10.772 1.00 2.04 C ATOM 206 CZ PHE A 15 9.164 -12.593 -11.527 1.00 3.90 C ATOM 0 H PHE A 15 9.559 -13.994 -6.454 1.00 2.37 H new ATOM 0 HA PHE A 15 8.148 -11.396 -6.754 1.00 3.88 H new ATOM 0 HB2 PHE A 15 7.378 -14.242 -7.438 1.00 2.61 H new ATOM 0 HB3 PHE A 15 6.373 -12.830 -7.693 1.00 2.61 H new ATOM 0 HD1 PHE A 15 6.946 -11.189 -9.437 1.00 2.42 H new ATOM 0 HD2 PHE A 15 9.297 -14.723 -8.927 1.00 3.62 H new ATOM 0 HE1 PHE A 15 7.956 -10.859 -11.649 1.00 4.21 H new ATOM 0 HE2 PHE A 15 10.270 -14.359 -11.158 1.00 2.04 H new ATOM 0 HZ PHE A 15 9.598 -12.444 -12.505 1.00 3.90 H new ATOM 216 N PRO A 16 6.516 -11.739 -4.776 1.00 2.05 N ATOM 217 CA PRO A 16 5.868 -11.808 -3.470 1.00 2.01 C ATOM 218 C PRO A 16 4.876 -12.952 -3.427 1.00 2.69 C ATOM 219 O PRO A 16 4.225 -13.286 -4.420 1.00 2.00 O ATOM 220 CB PRO A 16 5.235 -10.429 -3.291 1.00 2.17 C ATOM 221 CG PRO A 16 5.169 -9.814 -4.696 1.00 2.94 C ATOM 222 CD PRO A 16 6.370 -10.402 -5.370 1.00 2.00 C ATOM 0 HA PRO A 16 6.553 -12.021 -2.649 1.00 2.01 H new ATOM 0 HB2 PRO A 16 4.241 -10.509 -2.852 1.00 2.17 H new ATOM 0 HB3 PRO A 16 5.830 -9.809 -2.620 1.00 2.17 H new ATOM 0 HG2 PRO A 16 4.246 -10.079 -5.211 1.00 2.94 H new ATOM 0 HG3 PRO A 16 5.215 -8.725 -4.664 1.00 2.94 H new ATOM 0 HD2 PRO A 16 6.229 -10.462 -6.449 1.00 2.00 H new ATOM 0 HD3 PRO A 16 7.258 -9.793 -5.198 1.00 2.00 H new ATOM 230 N LYS A 17 4.773 -13.523 -2.248 1.00 2.05 N ATOM 231 CA LYS A 17 3.920 -14.662 -1.997 1.00 2.82 C ATOM 232 C LYS A 17 2.951 -14.257 -0.910 1.00 2.65 C ATOM 233 O LYS A 17 3.247 -13.348 -0.124 1.00 2.00 O ATOM 234 CB LYS A 17 4.797 -15.843 -1.521 1.00 6.99 C ATOM 235 CG LYS A 17 5.851 -16.213 -2.565 1.00 10.61 C ATOM 236 CD LYS A 17 5.165 -17.116 -3.583 1.00 14.13 C ATOM 237 CE LYS A 17 5.482 -16.861 -5.066 1.00 14.97 C ATOM 238 NZ LYS A 17 4.500 -15.969 -5.668 1.00 15.96 N ATOM 0 H LYS A 17 5.286 -13.205 -1.426 1.00 2.05 H new ATOM 0 HA LYS A 17 3.378 -14.969 -2.892 1.00 2.82 H new ATOM 0 HB2 LYS A 17 5.288 -15.579 -0.584 1.00 6.99 H new ATOM 0 HB3 LYS A 17 4.166 -16.708 -1.317 1.00 6.99 H new ATOM 0 HG2 LYS A 17 6.248 -15.320 -3.047 1.00 10.61 H new ATOM 0 HG3 LYS A 17 6.693 -16.725 -2.099 1.00 10.61 H new ATOM 0 HD2 LYS A 17 5.429 -18.148 -3.353 1.00 14.13 H new ATOM 0 HD3 LYS A 17 4.088 -17.024 -3.446 1.00 14.13 H new ATOM 0 HE2 LYS A 17 6.477 -16.426 -5.158 1.00 14.97 H new ATOM 0 HE3 LYS A 17 5.496 -17.808 -5.606 1.00 14.97 H new ATOM 0 HZ1 LYS A 17 4.748 -15.801 -6.664 1.00 15.96 H new ATOM 0 HZ2 LYS A 17 3.557 -16.404 -5.615 1.00 15.96 H new ATOM 0 HZ3 LYS A 17 4.493 -15.064 -5.156 1.00 15.96 H new ATOM 252 N ARG A 18 1.797 -14.924 -0.852 1.00 3.00 N ATOM 253 CA ARG A 18 0.817 -14.730 0.194 1.00 3.17 C ATOM 254 C ARG A 18 1.425 -14.850 1.612 1.00 4.58 C ATOM 255 O ARG A 18 2.148 -15.789 1.983 1.00 4.56 O ATOM 256 CB ARG A 18 -0.305 -15.747 0.073 1.00 2.35 C ATOM 257 CG ARG A 18 -1.551 -15.270 0.824 1.00 4.98 C ATOM 258 CD ARG A 18 -2.617 -16.332 1.090 1.00 7.29 C ATOM 259 NE ARG A 18 -2.040 -17.567 1.607 1.00 11.65 N ATOM 260 CZ ARG A 18 -2.716 -18.623 2.128 1.00 11.69 C ATOM 261 NH1 ARG A 18 -4.062 -18.660 2.279 1.00 8.81 N ATOM 262 NH2 ARG A 18 -1.956 -19.656 2.517 1.00 11.68 N ATOM 0 H ARG A 18 1.522 -15.621 -1.544 1.00 3.00 H new ATOM 0 HA ARG A 18 0.436 -13.717 0.064 1.00 3.17 H new ATOM 0 HB2 ARG A 18 -0.546 -15.906 -0.978 1.00 2.35 H new ATOM 0 HB3 ARG A 18 0.022 -16.706 0.474 1.00 2.35 H new ATOM 0 HG2 ARG A 18 -1.237 -14.851 1.780 1.00 4.98 H new ATOM 0 HG3 ARG A 18 -2.007 -14.460 0.255 1.00 4.98 H new ATOM 0 HD2 ARG A 18 -3.344 -15.945 1.804 1.00 7.29 H new ATOM 0 HD3 ARG A 18 -3.157 -16.543 0.167 1.00 7.29 H new ATOM 0 HE ARG A 18 -1.024 -17.646 1.574 1.00 11.65 H new ATOM 0 HH11 ARG A 18 -4.629 -17.862 1.993 1.00 8.81 H new ATOM 0 HH12 ARG A 18 -4.508 -19.486 2.678 1.00 8.81 H new ATOM 0 HH21 ARG A 18 -0.942 -19.612 2.412 1.00 11.68 H new ATOM 0 HH22 ARG A 18 -2.391 -20.487 2.919 1.00 11.68 H new ATOM 276 N GLY A 19 1.139 -13.874 2.442 1.00 3.63 N ATOM 277 CA GLY A 19 1.676 -13.863 3.760 1.00 3.22 C ATOM 278 C GLY A 19 2.938 -13.036 3.871 1.00 2.00 C ATOM 279 O GLY A 19 3.336 -12.717 4.997 1.00 2.09 O ATOM 0 H GLY A 19 0.536 -13.082 2.217 1.00 3.63 H new ATOM 0 HA2 GLY A 19 0.928 -13.471 4.449 1.00 3.22 H new ATOM 0 HA3 GLY A 19 1.889 -14.886 4.069 1.00 3.22 H new ATOM 283 N GLN A 20 3.572 -12.658 2.790 1.00 2.68 N ATOM 284 CA GLN A 20 4.724 -11.774 2.868 1.00 2.00 C ATOM 285 C GLN A 20 4.327 -10.319 2.885 1.00 2.70 C ATOM 286 O GLN A 20 3.289 -9.940 2.302 1.00 2.45 O ATOM 287 CB GLN A 20 5.666 -11.966 1.687 1.00 3.16 C ATOM 288 CG GLN A 20 6.358 -13.364 1.712 1.00 2.12 C ATOM 289 CD GLN A 20 7.410 -13.512 0.616 1.00 4.98 C ATOM 290 OE1 GLN A 20 7.140 -13.436 -0.580 1.00 5.90 O ATOM 291 NE2 GLN A 20 8.678 -13.658 0.964 1.00 4.69 N ATOM 0 H GLN A 20 3.317 -12.944 1.845 1.00 2.68 H new ATOM 0 HA GLN A 20 5.222 -12.037 3.801 1.00 2.00 H new ATOM 0 HB2 GLN A 20 5.109 -11.854 0.757 1.00 3.16 H new ATOM 0 HB3 GLN A 20 6.426 -11.185 1.699 1.00 3.16 H new ATOM 0 HG2 GLN A 20 6.826 -13.517 2.684 1.00 2.12 H new ATOM 0 HG3 GLN A 20 5.604 -14.142 1.595 1.00 2.12 H new ATOM 0 HE21 GLN A 20 8.932 -13.724 1.950 1.00 4.69 H new ATOM 0 HE22 GLN A 20 9.402 -13.705 0.247 1.00 4.69 H new ATOM 300 N THR A 21 5.158 -9.532 3.565 1.00 2.00 N ATOM 301 CA THR A 21 4.994 -8.082 3.585 1.00 2.11 C ATOM 302 C THR A 21 5.765 -7.403 2.437 1.00 3.07 C ATOM 303 O THR A 21 6.996 -7.564 2.290 1.00 2.00 O ATOM 304 CB THR A 21 5.470 -7.525 4.934 1.00 2.03 C ATOM 305 OG1 THR A 21 4.570 -8.109 5.908 1.00 2.00 O ATOM 306 CG2 THR A 21 5.479 -5.985 5.021 1.00 2.03 C ATOM 0 H THR A 21 5.950 -9.874 4.108 1.00 2.00 H new ATOM 0 HA THR A 21 3.935 -7.864 3.447 1.00 2.11 H new ATOM 0 HB THR A 21 6.514 -7.787 5.103 1.00 2.03 H new ATOM 0 HG1 THR A 21 4.813 -7.799 6.805 1.00 2.00 H new ATOM 0 HG21 THR A 21 5.828 -5.678 6.007 1.00 2.03 H new ATOM 0 HG22 THR A 21 6.145 -5.581 4.258 1.00 2.03 H new ATOM 0 HG23 THR A 21 4.470 -5.606 4.859 1.00 2.03 H new ATOM 314 N CYS A 22 5.027 -6.689 1.578 1.00 2.00 N ATOM 315 CA CYS A 22 5.617 -5.929 0.488 1.00 2.88 C ATOM 316 C CYS A 22 5.855 -4.490 0.931 1.00 2.00 C ATOM 317 O CYS A 22 4.994 -3.817 1.492 1.00 4.11 O ATOM 318 CB CYS A 22 4.709 -5.914 -0.732 1.00 2.17 C ATOM 319 SG CYS A 22 4.197 -7.544 -1.309 1.00 3.26 S ATOM 0 H CYS A 22 4.010 -6.627 1.625 1.00 2.00 H new ATOM 0 HA CYS A 22 6.559 -6.409 0.223 1.00 2.88 H new ATOM 0 HB2 CYS A 22 3.819 -5.330 -0.499 1.00 2.17 H new ATOM 0 HB3 CYS A 22 5.223 -5.401 -1.545 1.00 2.17 H new ATOM 0 HG CYS A 22 3.427 -7.414 -2.348 1.00 3.26 H new ATOM 325 N VAL A 23 7.052 -4.004 0.683 1.00 2.00 N ATOM 326 CA VAL A 23 7.499 -2.694 1.144 1.00 2.00 C ATOM 327 C VAL A 23 7.614 -1.937 -0.158 1.00 2.00 C ATOM 328 O VAL A 23 8.465 -2.282 -1.000 1.00 2.00 O ATOM 329 CB VAL A 23 8.896 -2.836 1.880 1.00 2.16 C ATOM 330 CG1 VAL A 23 9.355 -1.493 2.450 1.00 2.10 C ATOM 331 CG2 VAL A 23 8.793 -3.873 2.998 1.00 2.02 C ATOM 0 H VAL A 23 7.758 -4.510 0.148 1.00 2.00 H new ATOM 0 HA VAL A 23 6.843 -2.204 1.863 1.00 2.00 H new ATOM 0 HB VAL A 23 9.635 -3.166 1.150 1.00 2.16 H new ATOM 0 HG11 VAL A 23 10.316 -1.619 2.949 1.00 2.10 H new ATOM 0 HG12 VAL A 23 9.459 -0.771 1.640 1.00 2.10 H new ATOM 0 HG13 VAL A 23 8.618 -1.131 3.167 1.00 2.10 H new ATOM 0 HG21 VAL A 23 9.757 -3.965 3.499 1.00 2.02 H new ATOM 0 HG22 VAL A 23 8.038 -3.558 3.718 1.00 2.02 H new ATOM 0 HG23 VAL A 23 8.511 -4.837 2.575 1.00 2.02 H new ATOM 341 N VAL A 24 6.751 -0.947 -0.401 1.00 2.00 N ATOM 342 CA VAL A 24 6.722 -0.316 -1.704 1.00 2.26 C ATOM 343 C VAL A 24 6.788 1.198 -1.611 1.00 2.04 C ATOM 344 O VAL A 24 6.402 1.808 -0.603 1.00 2.00 O ATOM 345 CB VAL A 24 5.411 -0.664 -2.536 1.00 2.63 C ATOM 346 CG1 VAL A 24 5.254 -2.171 -2.727 1.00 3.59 C ATOM 347 CG2 VAL A 24 4.156 -0.122 -1.807 1.00 2.08 C ATOM 0 H VAL A 24 6.082 -0.579 0.275 1.00 2.00 H new ATOM 0 HA VAL A 24 7.602 -0.712 -2.211 1.00 2.26 H new ATOM 0 HB VAL A 24 5.511 -0.193 -3.514 1.00 2.63 H new ATOM 0 HG11 VAL A 24 4.349 -2.373 -3.299 1.00 3.59 H new ATOM 0 HG12 VAL A 24 6.118 -2.562 -3.265 1.00 3.59 H new ATOM 0 HG13 VAL A 24 5.183 -2.656 -1.753 1.00 3.59 H new ATOM 0 HG21 VAL A 24 3.265 -0.366 -2.386 1.00 2.08 H new ATOM 0 HG22 VAL A 24 4.083 -0.578 -0.820 1.00 2.08 H new ATOM 0 HG23 VAL A 24 4.235 0.960 -1.702 1.00 2.08 H new ATOM 357 N HIS A 25 7.285 1.842 -2.663 1.00 3.13 N ATOM 358 CA HIS A 25 7.048 3.265 -2.734 1.00 2.12 C ATOM 359 C HIS A 25 5.979 3.435 -3.791 1.00 2.04 C ATOM 360 O HIS A 25 5.985 2.661 -4.747 1.00 2.00 O ATOM 361 CB HIS A 25 8.328 4.056 -3.108 1.00 2.00 C ATOM 362 CG HIS A 25 8.786 4.884 -1.900 1.00 2.20 C ATOM 363 ND1 HIS A 25 8.060 5.446 -0.944 1.00 2.09 N ATOM 364 CD2 HIS A 25 10.088 5.137 -1.560 1.00 2.98 C ATOM 365 CE1 HIS A 25 8.832 6.008 -0.058 1.00 2.00 C ATOM 366 NE2 HIS A 25 10.053 5.811 -0.438 1.00 2.07 N ATOM 0 H HIS A 25 7.819 1.429 -3.428 1.00 3.13 H new ATOM 0 HA HIS A 25 6.740 3.659 -1.766 1.00 2.12 H new ATOM 0 HB2 HIS A 25 9.118 3.369 -3.412 1.00 2.00 H new ATOM 0 HB3 HIS A 25 8.130 4.710 -3.957 1.00 2.00 H new ATOM 0 HD2 HIS A 25 10.969 4.839 -2.109 1.00 2.98 H new ATOM 0 HE1 HIS A 25 8.513 6.538 0.827 1.00 2.00 H new ATOM 0 HE2 HIS A 25 10.877 6.137 0.068 1.00 2.07 H new ATOM 375 N TYR A 26 5.053 4.409 -3.664 1.00 2.18 N ATOM 376 CA TYR A 26 4.042 4.582 -4.689 1.00 2.00 C ATOM 377 C TYR A 26 3.663 6.056 -4.880 1.00 2.55 C ATOM 378 O TYR A 26 3.852 6.852 -3.943 1.00 2.00 O ATOM 379 CB TYR A 26 2.775 3.737 -4.328 1.00 2.00 C ATOM 380 CG TYR A 26 1.914 4.227 -3.173 1.00 2.00 C ATOM 381 CD1 TYR A 26 0.920 5.175 -3.429 1.00 2.38 C ATOM 382 CD2 TYR A 26 2.130 3.799 -1.872 1.00 2.00 C ATOM 383 CE1 TYR A 26 0.159 5.680 -2.388 1.00 2.00 C ATOM 384 CE2 TYR A 26 1.371 4.314 -0.816 1.00 2.00 C ATOM 385 CZ TYR A 26 0.387 5.255 -1.085 1.00 2.12 C ATOM 386 OH TYR A 26 -0.382 5.772 -0.062 1.00 2.00 O ATOM 0 H TYR A 26 4.996 5.061 -2.882 1.00 2.18 H new ATOM 0 HA TYR A 26 4.459 4.232 -5.633 1.00 2.00 H new ATOM 0 HB2 TYR A 26 2.146 3.677 -5.216 1.00 2.00 H new ATOM 0 HB3 TYR A 26 3.101 2.722 -4.099 1.00 2.00 H new ATOM 0 HD1 TYR A 26 0.745 5.514 -4.439 1.00 2.38 H new ATOM 0 HD2 TYR A 26 2.892 3.060 -1.672 1.00 2.00 H new ATOM 0 HE1 TYR A 26 -0.614 6.407 -2.590 1.00 2.00 H new ATOM 0 HE2 TYR A 26 1.549 3.983 0.197 1.00 2.00 H new ATOM 0 HH TYR A 26 -0.561 6.720 -0.234 1.00 2.00 H new ATOM 396 N THR A 27 3.151 6.385 -6.067 1.00 2.38 N ATOM 397 CA THR A 27 2.490 7.660 -6.349 1.00 2.63 C ATOM 398 C THR A 27 1.235 7.236 -7.095 1.00 2.34 C ATOM 399 O THR A 27 1.310 6.480 -8.065 1.00 2.79 O ATOM 400 CB THR A 27 3.280 8.570 -7.257 1.00 2.00 C ATOM 401 OG1 THR A 27 4.508 8.863 -6.594 1.00 2.75 O ATOM 402 CG2 THR A 27 2.514 9.845 -7.544 1.00 4.47 C ATOM 0 H THR A 27 3.185 5.762 -6.874 1.00 2.38 H new ATOM 0 HA THR A 27 2.337 8.221 -5.427 1.00 2.63 H new ATOM 0 HB THR A 27 3.464 8.085 -8.216 1.00 2.00 H new ATOM 0 HG1 THR A 27 5.051 9.454 -7.157 1.00 2.75 H new ATOM 0 HG21 THR A 27 3.104 10.484 -8.200 1.00 4.47 H new ATOM 0 HG22 THR A 27 1.569 9.600 -8.029 1.00 4.47 H new ATOM 0 HG23 THR A 27 2.316 10.369 -6.609 1.00 4.47 H new ATOM 410 N GLY A 28 0.073 7.582 -6.591 1.00 3.41 N ATOM 411 CA GLY A 28 -1.219 7.264 -7.212 1.00 2.19 C ATOM 412 C GLY A 28 -1.743 8.490 -7.933 1.00 2.29 C ATOM 413 O GLY A 28 -1.795 9.578 -7.358 1.00 2.51 O ATOM 0 H GLY A 28 -0.016 8.104 -5.719 1.00 3.41 H new ATOM 0 HA2 GLY A 28 -1.105 6.437 -7.913 1.00 2.19 H new ATOM 0 HA3 GLY A 28 -1.931 6.942 -6.452 1.00 2.19 H new ATOM 417 N MET A 29 -2.168 8.281 -9.170 1.00 2.00 N ATOM 418 CA MET A 29 -2.707 9.299 -10.065 1.00 2.53 C ATOM 419 C MET A 29 -4.008 8.808 -10.713 1.00 3.85 C ATOM 420 O MET A 29 -4.366 7.619 -10.794 1.00 5.17 O ATOM 421 CB MET A 29 -1.721 9.633 -11.187 1.00 2.36 C ATOM 422 CG MET A 29 -0.448 10.232 -10.676 1.00 3.29 C ATOM 423 SD MET A 29 0.894 10.016 -11.863 1.00 18.22 S ATOM 424 CE MET A 29 1.291 8.321 -11.526 1.00 4.93 C ATOM 0 H MET A 29 -2.146 7.356 -9.599 1.00 2.00 H new ATOM 0 HA MET A 29 -2.891 10.188 -9.462 1.00 2.53 H new ATOM 0 HB2 MET A 29 -1.492 8.726 -11.746 1.00 2.36 H new ATOM 0 HB3 MET A 29 -2.191 10.327 -11.884 1.00 2.36 H new ATOM 0 HG2 MET A 29 -0.596 11.294 -10.479 1.00 3.29 H new ATOM 0 HG3 MET A 29 -0.178 9.766 -9.728 1.00 3.29 H new ATOM 0 HE1 MET A 29 2.284 8.261 -11.081 1.00 4.93 H new ATOM 0 HE2 MET A 29 0.558 7.906 -10.834 1.00 4.93 H new ATOM 0 HE3 MET A 29 1.275 7.752 -12.455 1.00 4.93 H new ATOM 434 N LEU A 30 -4.807 9.810 -11.025 1.00 5.61 N ATOM 435 CA LEU A 30 -6.031 9.698 -11.781 1.00 2.23 C ATOM 436 C LEU A 30 -5.624 9.632 -13.253 1.00 2.28 C ATOM 437 O LEU A 30 -4.513 10.045 -13.603 1.00 2.13 O ATOM 438 CB LEU A 30 -6.834 10.938 -11.439 1.00 3.44 C ATOM 439 CG LEU A 30 -8.077 10.941 -10.539 1.00 5.20 C ATOM 440 CD1 LEU A 30 -8.182 9.695 -9.682 1.00 5.93 C ATOM 441 CD2 LEU A 30 -8.041 12.208 -9.748 1.00 5.88 C ATOM 0 H LEU A 30 -4.607 10.769 -10.742 1.00 5.61 H new ATOM 0 HA LEU A 30 -6.635 8.818 -11.561 1.00 2.23 H new ATOM 0 HB2 LEU A 30 -6.132 11.639 -10.988 1.00 3.44 H new ATOM 0 HB3 LEU A 30 -7.147 11.368 -12.390 1.00 3.44 H new ATOM 0 HG LEU A 30 -8.984 10.912 -11.142 1.00 5.20 H new ATOM 0 HD11 LEU A 30 -9.080 9.752 -9.066 1.00 5.93 H new ATOM 0 HD12 LEU A 30 -8.237 8.816 -10.324 1.00 5.93 H new ATOM 0 HD13 LEU A 30 -7.305 9.621 -9.039 1.00 5.93 H new ATOM 0 HD21 LEU A 30 -8.910 12.252 -9.092 1.00 5.88 H new ATOM 0 HD22 LEU A 30 -7.131 12.237 -9.148 1.00 5.88 H new ATOM 0 HD23 LEU A 30 -8.055 13.061 -10.426 1.00 5.88 H new ATOM 453 N GLU A 31 -6.461 9.228 -14.218 1.00 2.00 N ATOM 454 CA GLU A 31 -6.055 9.175 -15.621 1.00 3.38 C ATOM 455 C GLU A 31 -5.570 10.459 -16.261 1.00 2.24 C ATOM 456 O GLU A 31 -4.873 10.473 -17.264 1.00 2.51 O ATOM 457 CB GLU A 31 -7.199 8.676 -16.450 1.00 6.39 C ATOM 458 CG GLU A 31 -7.282 7.180 -16.407 1.00 8.67 C ATOM 459 CD GLU A 31 -8.271 6.713 -17.471 1.00 12.33 C ATOM 460 OE1 GLU A 31 -9.464 7.070 -17.356 1.00 11.11 O ATOM 461 OE2 GLU A 31 -7.823 6.010 -18.393 1.00 11.97 O ATOM 0 H GLU A 31 -7.423 8.934 -14.048 1.00 2.00 H new ATOM 0 HA GLU A 31 -5.189 8.513 -15.602 1.00 3.38 H new ATOM 0 HB2 GLU A 31 -8.132 9.106 -16.085 1.00 6.39 H new ATOM 0 HB3 GLU A 31 -7.077 9.007 -17.481 1.00 6.39 H new ATOM 0 HG2 GLU A 31 -6.300 6.742 -16.586 1.00 8.67 H new ATOM 0 HG3 GLU A 31 -7.604 6.848 -15.420 1.00 8.67 H new ATOM 468 N ASP A 32 -5.917 11.602 -15.691 1.00 2.28 N ATOM 469 CA ASP A 32 -5.447 12.864 -16.228 1.00 2.22 C ATOM 470 C ASP A 32 -4.088 13.308 -15.673 1.00 2.02 C ATOM 471 O ASP A 32 -3.721 14.462 -15.940 1.00 3.63 O ATOM 472 CB ASP A 32 -6.504 13.943 -15.937 1.00 2.07 C ATOM 473 CG ASP A 32 -6.769 14.266 -14.477 1.00 4.69 C ATOM 474 OD1 ASP A 32 -6.222 13.610 -13.601 1.00 3.24 O ATOM 475 OD2 ASP A 32 -7.527 15.204 -14.215 1.00 7.19 O ATOM 0 H ASP A 32 -6.514 11.680 -14.868 1.00 2.28 H new ATOM 0 HA ASP A 32 -5.301 12.724 -17.299 1.00 2.22 H new ATOM 0 HB2 ASP A 32 -6.199 14.862 -16.438 1.00 2.07 H new ATOM 0 HB3 ASP A 32 -7.444 13.629 -16.391 1.00 2.07 H new ATOM 480 N GLY A 33 -3.408 12.474 -14.848 1.00 2.80 N ATOM 481 CA GLY A 33 -2.106 12.796 -14.283 1.00 3.15 C ATOM 482 C GLY A 33 -2.175 13.403 -12.885 1.00 5.33 C ATOM 483 O GLY A 33 -1.196 13.583 -12.164 1.00 6.47 O ATOM 0 H GLY A 33 -3.762 11.560 -14.565 1.00 2.80 H new ATOM 0 HA2 GLY A 33 -1.502 11.889 -14.246 1.00 3.15 H new ATOM 0 HA3 GLY A 33 -1.594 13.493 -14.947 1.00 3.15 H new ATOM 487 N LYS A 34 -3.338 13.772 -12.401 1.00 6.33 N ATOM 488 CA LYS A 34 -3.455 14.367 -11.095 1.00 8.80 C ATOM 489 C LYS A 34 -3.095 13.354 -10.009 1.00 8.23 C ATOM 490 O LYS A 34 -3.707 12.297 -9.897 1.00 5.74 O ATOM 491 CB LYS A 34 -4.890 14.857 -10.942 1.00 10.07 C ATOM 492 CG LYS A 34 -4.945 15.995 -9.981 1.00 12.70 C ATOM 493 CD LYS A 34 -5.293 15.591 -8.561 1.00 16.34 C ATOM 494 CE LYS A 34 -6.780 15.267 -8.496 1.00 21.18 C ATOM 495 NZ LYS A 34 -7.595 16.452 -8.725 1.00 21.86 N ATOM 0 H LYS A 34 -4.222 13.668 -12.899 1.00 6.33 H new ATOM 0 HA LYS A 34 -2.763 15.203 -10.989 1.00 8.80 H new ATOM 0 HB2 LYS A 34 -5.280 15.170 -11.910 1.00 10.07 H new ATOM 0 HB3 LYS A 34 -5.524 14.043 -10.590 1.00 10.07 H new ATOM 0 HG2 LYS A 34 -3.979 16.500 -9.977 1.00 12.70 H new ATOM 0 HG3 LYS A 34 -5.681 16.718 -10.332 1.00 12.70 H new ATOM 0 HD2 LYS A 34 -4.704 14.725 -8.259 1.00 16.34 H new ATOM 0 HD3 LYS A 34 -5.051 16.397 -7.869 1.00 16.34 H new ATOM 0 HE2 LYS A 34 -7.021 14.509 -9.241 1.00 21.18 H new ATOM 0 HE3 LYS A 34 -7.019 14.843 -7.521 1.00 21.18 H new ATOM 0 HZ1 LYS A 34 -8.519 16.333 -8.263 1.00 21.86 H new ATOM 0 HZ2 LYS A 34 -7.115 17.285 -8.329 1.00 21.86 H new ATOM 0 HZ3 LYS A 34 -7.734 16.586 -9.747 1.00 21.86 H new ATOM 509 N LYS A 35 -2.135 13.728 -9.180 1.00 7.56 N ATOM 510 CA LYS A 35 -1.657 12.928 -8.080 1.00 8.04 C ATOM 511 C LYS A 35 -2.661 13.048 -6.969 1.00 5.68 C ATOM 512 O LYS A 35 -3.054 14.163 -6.595 1.00 6.91 O ATOM 513 CB LYS A 35 -0.307 13.470 -7.614 1.00 8.72 C ATOM 514 CG LYS A 35 0.511 12.681 -6.584 1.00 12.44 C ATOM 515 CD LYS A 35 1.806 13.406 -6.180 1.00 14.32 C ATOM 516 CE LYS A 35 1.542 14.729 -5.416 1.00 15.27 C ATOM 517 NZ LYS A 35 2.772 15.453 -5.097 1.00 16.18 N ATOM 0 H LYS A 35 -1.656 14.625 -9.262 1.00 7.56 H new ATOM 0 HA LYS A 35 -1.535 11.886 -8.376 1.00 8.04 H new ATOM 0 HB2 LYS A 35 0.317 13.596 -8.499 1.00 8.72 H new ATOM 0 HB3 LYS A 35 -0.479 14.464 -7.201 1.00 8.72 H new ATOM 0 HG2 LYS A 35 -0.097 12.509 -5.696 1.00 12.44 H new ATOM 0 HG3 LYS A 35 0.759 11.702 -6.995 1.00 12.44 H new ATOM 0 HD2 LYS A 35 2.407 12.745 -5.555 1.00 14.32 H new ATOM 0 HD3 LYS A 35 2.392 13.619 -7.074 1.00 14.32 H new ATOM 0 HE2 LYS A 35 0.895 15.368 -6.017 1.00 15.27 H new ATOM 0 HE3 LYS A 35 1.005 14.510 -4.493 1.00 15.27 H new ATOM 0 HZ1 LYS A 35 2.541 16.434 -4.839 1.00 16.18 H new ATOM 0 HZ2 LYS A 35 3.251 14.989 -4.299 1.00 16.18 H new ATOM 0 HZ3 LYS A 35 3.400 15.452 -5.926 1.00 16.18 H new ATOM 531 N PHE A 36 -3.082 11.935 -6.401 1.00 3.94 N ATOM 532 CA PHE A 36 -3.947 12.022 -5.234 1.00 2.69 C ATOM 533 C PHE A 36 -3.191 11.619 -3.966 1.00 2.19 C ATOM 534 O PHE A 36 -3.653 11.894 -2.854 1.00 2.00 O ATOM 535 CB PHE A 36 -5.200 11.146 -5.430 1.00 2.10 C ATOM 536 CG PHE A 36 -5.036 9.686 -5.837 1.00 4.03 C ATOM 537 CD1 PHE A 36 -4.792 8.711 -4.868 1.00 2.64 C ATOM 538 CD2 PHE A 36 -5.208 9.337 -7.176 1.00 5.73 C ATOM 539 CE1 PHE A 36 -4.729 7.384 -5.251 1.00 2.73 C ATOM 540 CE2 PHE A 36 -5.143 7.998 -7.532 1.00 4.29 C ATOM 541 CZ PHE A 36 -4.906 7.025 -6.576 1.00 3.77 C ATOM 0 H PHE A 36 -2.852 10.991 -6.711 1.00 3.94 H new ATOM 0 HA PHE A 36 -4.267 13.057 -5.117 1.00 2.69 H new ATOM 0 HB2 PHE A 36 -5.761 11.164 -4.496 1.00 2.10 H new ATOM 0 HB3 PHE A 36 -5.821 11.628 -6.185 1.00 2.10 H new ATOM 0 HD1 PHE A 36 -4.654 8.989 -3.834 1.00 2.64 H new ATOM 0 HD2 PHE A 36 -5.389 10.096 -7.923 1.00 5.73 H new ATOM 0 HE1 PHE A 36 -4.540 6.621 -4.510 1.00 2.73 H new ATOM 0 HE2 PHE A 36 -5.279 7.712 -8.565 1.00 4.29 H new ATOM 0 HZ PHE A 36 -4.859 5.985 -6.864 1.00 3.77 H new ATOM 551 N ASP A 37 -2.058 10.929 -4.095 1.00 3.41 N ATOM 552 CA ASP A 37 -1.240 10.565 -2.924 1.00 2.12 C ATOM 553 C ASP A 37 0.074 9.945 -3.361 1.00 2.45 C ATOM 554 O ASP A 37 0.128 9.432 -4.469 1.00 2.93 O ATOM 555 CB ASP A 37 -1.913 9.532 -1.995 1.00 2.05 C ATOM 556 CG ASP A 37 -1.197 9.477 -0.636 1.00 2.59 C ATOM 557 OD1 ASP A 37 -0.987 10.520 -0.028 1.00 6.13 O ATOM 558 OD2 ASP A 37 -0.792 8.420 -0.185 1.00 2.00 O ATOM 0 H ASP A 37 -1.683 10.610 -4.988 1.00 3.41 H new ATOM 0 HA ASP A 37 -1.099 11.501 -2.383 1.00 2.12 H new ATOM 0 HB2 ASP A 37 -2.961 9.795 -1.849 1.00 2.05 H new ATOM 0 HB3 ASP A 37 -1.893 8.548 -2.462 1.00 2.05 H new ATOM 563 N SER A 38 1.114 10.015 -2.516 1.00 2.00 N ATOM 564 CA SER A 38 2.447 9.460 -2.791 1.00 2.93 C ATOM 565 C SER A 38 3.206 9.243 -1.493 1.00 2.00 C ATOM 566 O SER A 38 3.273 10.153 -0.662 1.00 2.00 O ATOM 567 CB SER A 38 3.284 10.401 -3.677 1.00 2.08 C ATOM 568 OG SER A 38 4.540 9.798 -3.957 1.00 2.00 O ATOM 0 H SER A 38 1.050 10.468 -1.604 1.00 2.00 H new ATOM 0 HA SER A 38 2.295 8.515 -3.312 1.00 2.93 H new ATOM 0 HB2 SER A 38 2.754 10.610 -4.606 1.00 2.08 H new ATOM 0 HB3 SER A 38 3.432 11.356 -3.173 1.00 2.08 H new ATOM 0 HG SER A 38 4.538 9.449 -4.873 1.00 2.00 H new ATOM 574 N SER A 39 3.742 8.034 -1.278 1.00 2.00 N ATOM 575 CA SER A 39 4.573 7.805 -0.095 1.00 2.30 C ATOM 576 C SER A 39 5.947 8.438 -0.318 1.00 2.10 C ATOM 577 O SER A 39 6.700 8.682 0.633 1.00 2.00 O ATOM 578 CB SER A 39 4.747 6.315 0.183 1.00 2.05 C ATOM 579 OG SER A 39 5.237 5.620 -0.957 1.00 2.24 O ATOM 0 H SER A 39 3.620 7.225 -1.887 1.00 2.00 H new ATOM 0 HA SER A 39 4.078 8.257 0.764 1.00 2.30 H new ATOM 0 HB2 SER A 39 5.436 6.179 1.016 1.00 2.05 H new ATOM 0 HB3 SER A 39 3.791 5.888 0.487 1.00 2.05 H new ATOM 0 HG SER A 39 6.217 5.608 -0.937 1.00 2.24 H new ATOM 585 N ARG A 40 6.294 8.666 -1.597 1.00 2.24 N ATOM 586 CA ARG A 40 7.553 9.274 -1.949 1.00 2.47 C ATOM 587 C ARG A 40 7.538 10.702 -1.360 1.00 4.47 C ATOM 588 O ARG A 40 8.535 11.116 -0.784 1.00 3.23 O ATOM 589 CB ARG A 40 7.756 9.302 -3.487 1.00 2.21 C ATOM 590 CG ARG A 40 7.920 7.903 -4.121 1.00 3.48 C ATOM 591 CD ARG A 40 8.354 7.863 -5.614 1.00 6.38 C ATOM 592 NE ARG A 40 8.384 6.506 -6.192 1.00 9.98 N ATOM 593 CZ ARG A 40 7.322 5.956 -6.838 1.00 10.55 C ATOM 594 NH1 ARG A 40 6.173 6.627 -6.991 1.00 10.41 N ATOM 595 NH2 ARG A 40 7.374 4.698 -7.347 1.00 10.02 N ATOM 0 H ARG A 40 5.704 8.431 -2.395 1.00 2.24 H new ATOM 0 HA ARG A 40 8.385 8.698 -1.544 1.00 2.47 H new ATOM 0 HB2 ARG A 40 6.903 9.801 -3.947 1.00 2.21 H new ATOM 0 HB3 ARG A 40 8.638 9.900 -3.717 1.00 2.21 H new ATOM 0 HG2 ARG A 40 8.655 7.348 -3.537 1.00 3.48 H new ATOM 0 HG3 ARG A 40 6.972 7.373 -4.027 1.00 3.48 H new ATOM 0 HD2 ARG A 40 7.671 8.481 -6.197 1.00 6.38 H new ATOM 0 HD3 ARG A 40 9.345 8.309 -5.706 1.00 6.38 H new ATOM 0 HE ARG A 40 9.239 5.957 -6.103 1.00 9.98 H new ATOM 0 HH11 ARG A 40 6.081 7.572 -6.619 1.00 10.41 H new ATOM 0 HH12 ARG A 40 5.390 6.193 -7.480 1.00 10.41 H new ATOM 0 HH21 ARG A 40 8.224 4.143 -7.249 1.00 10.02 H new ATOM 0 HH22 ARG A 40 6.563 4.308 -7.828 1.00 10.02 H new ATOM 609 N ASP A 41 6.411 11.411 -1.344 1.00 5.39 N ATOM 610 CA ASP A 41 6.346 12.732 -0.712 1.00 4.46 C ATOM 611 C ASP A 41 6.509 12.617 0.809 1.00 4.66 C ATOM 612 O ASP A 41 6.984 13.561 1.443 1.00 5.88 O ATOM 613 CB ASP A 41 4.984 13.429 -1.035 1.00 4.98 C ATOM 614 CG ASP A 41 4.732 13.698 -2.514 1.00 5.60 C ATOM 615 OD1 ASP A 41 5.654 13.940 -3.295 1.00 7.25 O ATOM 616 OD2 ASP A 41 3.562 13.633 -2.896 1.00 8.02 O ATOM 0 H ASP A 41 5.533 11.097 -1.758 1.00 5.39 H new ATOM 0 HA ASP A 41 7.162 13.333 -1.113 1.00 4.46 H new ATOM 0 HB2 ASP A 41 4.175 12.807 -0.651 1.00 4.98 H new ATOM 0 HB3 ASP A 41 4.941 14.376 -0.497 1.00 4.98 H new ATOM 621 N ARG A 42 6.119 11.500 1.430 1.00 6.18 N ATOM 622 CA ARG A 42 6.336 11.336 2.856 1.00 6.28 C ATOM 623 C ARG A 42 7.703 10.712 3.172 1.00 6.35 C ATOM 624 O ARG A 42 8.161 10.697 4.325 1.00 4.86 O ATOM 625 CB ARG A 42 5.284 10.454 3.476 1.00 6.80 C ATOM 626 CG ARG A 42 3.890 10.877 3.088 1.00 8.27 C ATOM 627 CD ARG A 42 2.863 10.037 3.836 1.00 6.41 C ATOM 628 NE ARG A 42 2.629 8.660 3.463 1.00 9.14 N ATOM 629 CZ ARG A 42 1.775 8.322 2.489 1.00 9.65 C ATOM 630 NH1 ARG A 42 1.183 9.268 1.753 1.00 10.21 N ATOM 631 NH2 ARG A 42 1.573 7.039 2.193 1.00 8.82 N ATOM 0 H ARG A 42 5.660 10.713 0.971 1.00 6.18 H new ATOM 0 HA ARG A 42 6.288 12.342 3.274 1.00 6.28 H new ATOM 0 HB2 ARG A 42 5.449 9.422 3.167 1.00 6.80 H new ATOM 0 HB3 ARG A 42 5.382 10.481 4.561 1.00 6.80 H new ATOM 0 HG2 ARG A 42 3.745 11.933 3.317 1.00 8.27 H new ATOM 0 HG3 ARG A 42 3.752 10.762 2.013 1.00 8.27 H new ATOM 0 HD2 ARG A 42 3.149 10.041 4.888 1.00 6.41 H new ATOM 0 HD3 ARG A 42 1.908 10.557 3.763 1.00 6.41 H new ATOM 0 HE ARG A 42 3.131 7.922 3.958 1.00 9.14 H new ATOM 0 HH11 ARG A 42 1.381 10.252 1.932 1.00 10.21 H new ATOM 0 HH12 ARG A 42 0.533 9.005 1.012 1.00 10.21 H new ATOM 0 HH21 ARG A 42 2.069 6.312 2.709 1.00 8.82 H new ATOM 0 HH22 ARG A 42 0.922 6.783 1.451 1.00 8.82 H new ATOM 645 N ASN A 43 8.396 10.225 2.135 1.00 9.32 N ATOM 646 CA ASN A 43 9.699 9.601 2.249 1.00 9.05 C ATOM 647 C ASN A 43 9.659 8.416 3.224 1.00 10.05 C ATOM 648 O ASN A 43 10.585 8.119 3.951 1.00 6.95 O ATOM 649 CB ASN A 43 10.663 10.681 2.679 1.00 11.21 C ATOM 650 CG ASN A 43 12.093 10.204 2.616 1.00 14.48 C ATOM 651 OD1 ASN A 43 12.845 10.399 3.558 1.00 16.38 O ATOM 652 ND2 ASN A 43 12.629 9.625 1.549 1.00 15.17 N ATOM 0 H ASN A 43 8.049 10.260 1.176 1.00 9.32 H new ATOM 0 HA ASN A 43 10.023 9.178 1.298 1.00 9.05 H new ATOM 0 HB2 ASN A 43 10.541 11.555 2.039 1.00 11.21 H new ATOM 0 HB3 ASN A 43 10.428 10.996 3.696 1.00 11.21 H new ATOM 0 HD21 ASN A 43 13.617 9.370 1.549 1.00 15.17 H new ATOM 0 HD22 ASN A 43 12.053 9.435 0.729 1.00 15.17 H new ATOM 659 N LYS A 44 8.570 7.683 3.293 1.00 10.76 N ATOM 660 CA LYS A 44 8.474 6.522 4.160 1.00 10.17 C ATOM 661 C LYS A 44 7.717 5.492 3.313 1.00 8.67 C ATOM 662 O LYS A 44 6.660 5.838 2.750 1.00 7.64 O ATOM 663 CB LYS A 44 7.723 6.952 5.440 1.00 13.81 C ATOM 664 CG LYS A 44 7.660 5.875 6.546 1.00 15.25 C ATOM 665 CD LYS A 44 6.928 6.427 7.769 1.00 17.60 C ATOM 666 CE LYS A 44 6.522 5.315 8.763 1.00 19.28 C ATOM 667 NZ LYS A 44 5.455 4.473 8.236 1.00 20.21 N ATOM 0 H LYS A 44 7.726 7.871 2.752 1.00 10.76 H new ATOM 0 HA LYS A 44 9.422 6.100 4.493 1.00 10.17 H new ATOM 0 HB2 LYS A 44 8.205 7.842 5.846 1.00 13.81 H new ATOM 0 HB3 LYS A 44 6.706 7.235 5.170 1.00 13.81 H new ATOM 0 HG2 LYS A 44 7.147 4.989 6.174 1.00 15.25 H new ATOM 0 HG3 LYS A 44 8.668 5.567 6.823 1.00 15.25 H new ATOM 0 HD2 LYS A 44 7.567 7.149 8.277 1.00 17.60 H new ATOM 0 HD3 LYS A 44 6.037 6.964 7.444 1.00 17.60 H new ATOM 0 HE2 LYS A 44 7.391 4.698 8.991 1.00 19.28 H new ATOM 0 HE3 LYS A 44 6.197 5.767 9.700 1.00 19.28 H new ATOM 0 HZ1 LYS A 44 5.074 3.877 8.999 1.00 20.21 H new ATOM 0 HZ2 LYS A 44 4.696 5.073 7.854 1.00 20.21 H new ATOM 0 HZ3 LYS A 44 5.832 3.868 7.479 1.00 20.21 H new ATOM 681 N PRO A 45 8.294 4.296 3.014 1.00 8.75 N ATOM 682 CA PRO A 45 7.661 3.256 2.204 1.00 5.33 C ATOM 683 C PRO A 45 6.355 2.812 2.839 1.00 3.26 C ATOM 684 O PRO A 45 6.201 2.871 4.065 1.00 2.00 O ATOM 685 CB PRO A 45 8.626 2.097 2.129 1.00 4.54 C ATOM 686 CG PRO A 45 9.937 2.725 2.513 1.00 6.86 C ATOM 687 CD PRO A 45 9.573 3.798 3.533 1.00 6.96 C ATOM 0 HA PRO A 45 7.432 3.633 1.207 1.00 5.33 H new ATOM 0 HB2 PRO A 45 8.347 1.295 2.812 1.00 4.54 H new ATOM 0 HB3 PRO A 45 8.662 1.666 1.129 1.00 4.54 H new ATOM 0 HG2 PRO A 45 10.618 1.989 2.940 1.00 6.86 H new ATOM 0 HG3 PRO A 45 10.437 3.157 1.646 1.00 6.86 H new ATOM 0 HD2 PRO A 45 9.473 3.388 4.538 1.00 6.96 H new ATOM 0 HD3 PRO A 45 10.326 4.584 3.583 1.00 6.96 H new ATOM 695 N PHE A 46 5.429 2.342 2.001 1.00 3.06 N ATOM 696 CA PHE A 46 4.172 1.863 2.521 1.00 2.08 C ATOM 697 C PHE A 46 4.310 0.354 2.666 1.00 2.00 C ATOM 698 O PHE A 46 4.838 -0.279 1.757 1.00 2.00 O ATOM 699 CB PHE A 46 3.073 2.236 1.525 1.00 2.00 C ATOM 700 CG PHE A 46 1.705 1.712 1.870 1.00 2.33 C ATOM 701 CD1 PHE A 46 0.980 2.288 2.887 1.00 2.08 C ATOM 702 CD2 PHE A 46 1.191 0.657 1.158 1.00 2.08 C ATOM 703 CE1 PHE A 46 -0.268 1.796 3.186 1.00 4.65 C ATOM 704 CE2 PHE A 46 -0.056 0.178 1.473 1.00 3.26 C ATOM 705 CZ PHE A 46 -0.798 0.740 2.489 1.00 3.32 C ATOM 0 H PHE A 46 5.531 2.288 0.988 1.00 3.06 H new ATOM 0 HA PHE A 46 3.915 2.300 3.486 1.00 2.08 H new ATOM 0 HB2 PHE A 46 3.023 3.322 1.451 1.00 2.00 H new ATOM 0 HB3 PHE A 46 3.352 1.862 0.540 1.00 2.00 H new ATOM 0 HD1 PHE A 46 1.387 3.118 3.445 1.00 2.08 H new ATOM 0 HD2 PHE A 46 1.762 0.209 0.358 1.00 2.08 H new ATOM 0 HE1 PHE A 46 -0.841 2.248 3.982 1.00 4.65 H new ATOM 0 HE2 PHE A 46 -0.462 -0.653 0.915 1.00 3.26 H new ATOM 0 HZ PHE A 46 -1.778 0.357 2.732 1.00 3.32 H new ATOM 715 N LYS A 47 3.835 -0.264 3.735 1.00 2.00 N ATOM 716 CA LYS A 47 3.917 -1.717 3.850 1.00 3.08 C ATOM 717 C LYS A 47 2.525 -2.362 3.772 1.00 2.74 C ATOM 718 O LYS A 47 1.594 -1.822 4.390 1.00 2.00 O ATOM 719 CB LYS A 47 4.516 -2.121 5.188 1.00 2.52 C ATOM 720 CG LYS A 47 5.950 -1.711 5.281 1.00 5.16 C ATOM 721 CD LYS A 47 6.607 -2.194 6.557 1.00 8.34 C ATOM 722 CE LYS A 47 8.069 -1.829 6.361 1.00 8.64 C ATOM 723 NZ LYS A 47 8.853 -2.083 7.561 1.00 10.62 N ATOM 0 H LYS A 47 3.395 0.206 4.526 1.00 2.00 H new ATOM 0 HA LYS A 47 4.542 -2.058 3.025 1.00 3.08 H new ATOM 0 HB2 LYS A 47 3.950 -1.660 5.997 1.00 2.52 H new ATOM 0 HB3 LYS A 47 4.434 -3.200 5.316 1.00 2.52 H new ATOM 0 HG2 LYS A 47 6.494 -2.106 4.423 1.00 5.16 H new ATOM 0 HG3 LYS A 47 6.018 -0.624 5.229 1.00 5.16 H new ATOM 0 HD2 LYS A 47 6.185 -1.706 7.436 1.00 8.34 H new ATOM 0 HD3 LYS A 47 6.476 -3.267 6.695 1.00 8.34 H new ATOM 0 HE2 LYS A 47 8.479 -2.403 5.530 1.00 8.64 H new ATOM 0 HE3 LYS A 47 8.148 -0.776 6.091 1.00 8.64 H new ATOM 0 HZ1 LYS A 47 9.673 -1.444 7.582 1.00 10.62 H new ATOM 0 HZ2 LYS A 47 8.264 -1.918 8.402 1.00 10.62 H new ATOM 0 HZ3 LYS A 47 9.183 -3.069 7.558 1.00 10.62 H new ATOM 737 N PHE A 48 2.331 -3.463 3.044 1.00 2.00 N ATOM 738 CA PHE A 48 1.088 -4.209 3.154 1.00 2.38 C ATOM 739 C PHE A 48 1.434 -5.684 3.051 1.00 2.38 C ATOM 740 O PHE A 48 2.436 -6.009 2.386 1.00 4.31 O ATOM 741 CB PHE A 48 0.094 -3.836 2.038 1.00 2.00 C ATOM 742 CG PHE A 48 0.412 -4.345 0.633 1.00 2.08 C ATOM 743 CD1 PHE A 48 1.302 -3.656 -0.160 1.00 2.00 C ATOM 744 CD2 PHE A 48 -0.215 -5.484 0.143 1.00 2.00 C ATOM 745 CE1 PHE A 48 1.559 -4.099 -1.434 1.00 2.00 C ATOM 746 CE2 PHE A 48 0.048 -5.927 -1.151 1.00 2.00 C ATOM 747 CZ PHE A 48 0.936 -5.226 -1.938 1.00 2.20 C ATOM 0 H PHE A 48 3.008 -3.848 2.385 1.00 2.00 H new ATOM 0 HA PHE A 48 0.609 -3.972 4.104 1.00 2.38 H new ATOM 0 HB2 PHE A 48 -0.890 -4.211 2.320 1.00 2.00 H new ATOM 0 HB3 PHE A 48 0.021 -2.749 1.997 1.00 2.00 H new ATOM 0 HD1 PHE A 48 1.795 -2.772 0.218 1.00 2.00 H new ATOM 0 HD2 PHE A 48 -0.909 -6.028 0.768 1.00 2.00 H new ATOM 0 HE1 PHE A 48 2.260 -3.558 -2.053 1.00 2.00 H new ATOM 0 HE2 PHE A 48 -0.439 -6.811 -1.534 1.00 2.00 H new ATOM 0 HZ PHE A 48 1.145 -5.556 -2.945 1.00 2.20 H new ATOM 757 N MET A 49 0.675 -6.601 3.670 1.00 2.00 N ATOM 758 CA MET A 49 0.844 -8.047 3.489 1.00 2.02 C ATOM 759 C MET A 49 -0.054 -8.554 2.381 1.00 2.13 C ATOM 760 O MET A 49 -1.280 -8.315 2.392 1.00 2.11 O ATOM 761 CB MET A 49 0.504 -8.808 4.788 1.00 2.17 C ATOM 762 CG MET A 49 0.271 -10.339 4.704 1.00 2.67 C ATOM 763 SD MET A 49 0.172 -11.210 6.296 1.00 2.56 S ATOM 764 CE MET A 49 1.487 -10.461 7.169 1.00 2.40 C ATOM 0 H MET A 49 -0.077 -6.356 4.314 1.00 2.00 H new ATOM 0 HA MET A 49 1.887 -8.224 3.227 1.00 2.02 H new ATOM 0 HB2 MET A 49 1.313 -8.633 5.497 1.00 2.17 H new ATOM 0 HB3 MET A 49 -0.394 -8.358 5.212 1.00 2.17 H new ATOM 0 HG2 MET A 49 -0.654 -10.518 4.155 1.00 2.67 H new ATOM 0 HG3 MET A 49 1.079 -10.779 4.120 1.00 2.67 H new ATOM 0 HE1 MET A 49 1.774 -11.095 8.008 1.00 2.40 H new ATOM 0 HE2 MET A 49 2.340 -10.333 6.503 1.00 2.40 H new ATOM 0 HE3 MET A 49 1.168 -9.487 7.542 1.00 2.40 H new ATOM 774 N LEU A 50 0.581 -9.239 1.445 1.00 2.73 N ATOM 775 CA LEU A 50 -0.077 -9.867 0.346 1.00 2.85 C ATOM 776 C LEU A 50 -1.027 -10.945 0.835 1.00 3.08 C ATOM 777 O LEU A 50 -0.628 -11.834 1.587 1.00 2.26 O ATOM 778 CB LEU A 50 0.881 -10.606 -0.596 1.00 2.20 C ATOM 779 CG LEU A 50 1.164 -10.238 -2.015 1.00 2.52 C ATOM 780 CD1 LEU A 50 1.518 -11.570 -2.679 1.00 2.96 C ATOM 781 CD2 LEU A 50 0.008 -9.626 -2.740 1.00 2.66 C ATOM 0 H LEU A 50 1.593 -9.368 1.442 1.00 2.73 H new ATOM 0 HA LEU A 50 -0.577 -9.050 -0.174 1.00 2.85 H new ATOM 0 HB2 LEU A 50 1.848 -10.608 -0.093 1.00 2.20 H new ATOM 0 HB3 LEU A 50 0.533 -11.638 -0.622 1.00 2.20 H new ATOM 0 HG LEU A 50 1.947 -9.480 -2.049 1.00 2.52 H new ATOM 0 HD11 LEU A 50 1.744 -11.403 -3.732 1.00 2.96 H new ATOM 0 HD12 LEU A 50 2.388 -12.003 -2.186 1.00 2.96 H new ATOM 0 HD13 LEU A 50 0.674 -12.255 -2.593 1.00 2.96 H new ATOM 0 HD21 LEU A 50 0.303 -9.391 -3.763 1.00 2.66 H new ATOM 0 HD22 LEU A 50 -0.825 -10.329 -2.756 1.00 2.66 H new ATOM 0 HD23 LEU A 50 -0.298 -8.712 -2.231 1.00 2.66 H new ATOM 793 N GLY A 51 -2.272 -10.887 0.342 1.00 2.96 N ATOM 794 CA GLY A 51 -3.296 -11.871 0.624 1.00 2.36 C ATOM 795 C GLY A 51 -4.116 -11.570 1.856 1.00 4.78 C ATOM 796 O GLY A 51 -5.126 -12.226 2.101 1.00 4.95 O ATOM 0 H GLY A 51 -2.589 -10.138 -0.273 1.00 2.96 H new ATOM 0 HA2 GLY A 51 -3.963 -11.942 -0.235 1.00 2.36 H new ATOM 0 HA3 GLY A 51 -2.825 -12.847 0.743 1.00 2.36 H new ATOM 800 N LYS A 52 -3.792 -10.523 2.596 1.00 3.99 N ATOM 801 CA LYS A 52 -4.536 -10.210 3.782 1.00 4.41 C ATOM 802 C LYS A 52 -5.811 -9.390 3.541 1.00 6.54 C ATOM 803 O LYS A 52 -6.555 -9.100 4.465 1.00 6.39 O ATOM 804 CB LYS A 52 -3.629 -9.477 4.648 1.00 5.08 C ATOM 805 CG LYS A 52 -3.918 -9.559 6.134 1.00 4.53 C ATOM 806 CD LYS A 52 -2.997 -8.444 6.538 1.00 6.87 C ATOM 807 CE LYS A 52 -2.827 -8.377 7.978 1.00 7.65 C ATOM 808 NZ LYS A 52 -2.224 -7.100 8.304 1.00 10.26 N ATOM 0 H LYS A 52 -3.023 -9.886 2.390 1.00 3.99 H new ATOM 0 HA LYS A 52 -4.891 -11.142 4.222 1.00 4.41 H new ATOM 0 HB2 LYS A 52 -2.617 -9.843 4.474 1.00 5.08 H new ATOM 0 HB3 LYS A 52 -3.644 -8.428 4.352 1.00 5.08 H new ATOM 0 HG2 LYS A 52 -4.962 -9.370 6.383 1.00 4.53 H new ATOM 0 HG3 LYS A 52 -3.654 -10.520 6.574 1.00 4.53 H new ATOM 0 HD2 LYS A 52 -2.026 -8.586 6.064 1.00 6.87 H new ATOM 0 HD3 LYS A 52 -3.394 -7.496 6.175 1.00 6.87 H new ATOM 0 HE2 LYS A 52 -3.789 -8.482 8.480 1.00 7.65 H new ATOM 0 HE3 LYS A 52 -2.196 -9.195 8.325 1.00 7.65 H new ATOM 0 HZ1 LYS A 52 -2.353 -6.904 9.317 1.00 10.26 H new ATOM 0 HZ2 LYS A 52 -1.208 -7.129 8.084 1.00 10.26 H new ATOM 0 HZ3 LYS A 52 -2.678 -6.349 7.745 1.00 10.26 H new ATOM 822 N GLN A 53 -6.093 -8.988 2.307 1.00 5.52 N ATOM 823 CA GLN A 53 -7.281 -8.220 1.946 1.00 7.26 C ATOM 824 C GLN A 53 -7.329 -6.831 2.573 1.00 6.71 C ATOM 825 O GLN A 53 -8.379 -6.361 3.020 1.00 7.22 O ATOM 826 CB GLN A 53 -8.547 -8.958 2.353 1.00 6.90 C ATOM 827 CG GLN A 53 -8.846 -10.236 1.620 1.00 8.41 C ATOM 828 CD GLN A 53 -9.809 -11.087 2.431 1.00 8.08 C ATOM 829 OE1 GLN A 53 -10.794 -10.630 3.016 1.00 7.07 O ATOM 830 NE2 GLN A 53 -9.516 -12.382 2.474 1.00 10.24 N ATOM 0 H GLN A 53 -5.489 -9.191 1.511 1.00 5.52 H new ATOM 0 HA GLN A 53 -7.222 -8.103 0.864 1.00 7.26 H new ATOM 0 HB2 GLN A 53 -8.483 -9.183 3.418 1.00 6.90 H new ATOM 0 HB3 GLN A 53 -9.393 -8.283 2.220 1.00 6.90 H new ATOM 0 HG2 GLN A 53 -9.278 -10.013 0.644 1.00 8.41 H new ATOM 0 HG3 GLN A 53 -7.923 -10.787 1.441 1.00 8.41 H new ATOM 0 HE21 GLN A 53 -8.696 -12.736 1.982 1.00 10.24 H new ATOM 0 HE22 GLN A 53 -10.111 -13.022 2.999 1.00 10.24 H new ATOM 839 N GLU A 54 -6.178 -6.161 2.632 1.00 3.31 N ATOM 840 CA GLU A 54 -6.168 -4.827 3.180 1.00 4.11 C ATOM 841 C GLU A 54 -5.819 -3.730 2.181 1.00 2.44 C ATOM 842 O GLU A 54 -5.752 -2.577 2.568 1.00 2.19 O ATOM 843 CB GLU A 54 -5.220 -4.764 4.327 1.00 6.18 C ATOM 844 CG GLU A 54 -3.769 -5.100 3.991 1.00 7.49 C ATOM 845 CD GLU A 54 -2.855 -5.018 5.202 1.00 8.80 C ATOM 846 OE1 GLU A 54 -3.344 -4.749 6.304 1.00 10.56 O ATOM 847 OE2 GLU A 54 -1.660 -5.250 5.063 1.00 3.57 O ATOM 0 H GLU A 54 -5.275 -6.514 2.316 1.00 3.31 H new ATOM 0 HA GLU A 54 -7.193 -4.633 3.497 1.00 4.11 H new ATOM 0 HB2 GLU A 54 -5.255 -3.761 4.752 1.00 6.18 H new ATOM 0 HB3 GLU A 54 -5.565 -5.450 5.101 1.00 6.18 H new ATOM 0 HG2 GLU A 54 -3.720 -6.105 3.571 1.00 7.49 H new ATOM 0 HG3 GLU A 54 -3.410 -4.416 3.222 1.00 7.49 H new ATOM 854 N VAL A 55 -5.544 -4.079 0.935 1.00 2.00 N ATOM 855 CA VAL A 55 -5.364 -3.129 -0.145 1.00 2.05 C ATOM 856 C VAL A 55 -6.380 -3.462 -1.247 1.00 2.45 C ATOM 857 O VAL A 55 -7.096 -4.487 -1.172 1.00 2.43 O ATOM 858 CB VAL A 55 -3.925 -3.188 -0.727 1.00 2.04 C ATOM 859 CG1 VAL A 55 -3.042 -2.506 0.298 1.00 2.03 C ATOM 860 CG2 VAL A 55 -3.482 -4.619 -1.071 1.00 2.00 C ATOM 0 H VAL A 55 -5.438 -5.050 0.643 1.00 2.00 H new ATOM 0 HA VAL A 55 -5.520 -2.121 0.240 1.00 2.05 H new ATOM 0 HB VAL A 55 -3.861 -2.674 -1.686 1.00 2.04 H new ATOM 0 HG11 VAL A 55 -2.009 -2.512 -0.050 1.00 2.03 H new ATOM 0 HG12 VAL A 55 -3.373 -1.476 0.436 1.00 2.03 H new ATOM 0 HG13 VAL A 55 -3.108 -3.038 1.247 1.00 2.03 H new ATOM 0 HG21 VAL A 55 -2.469 -4.600 -1.474 1.00 2.00 H new ATOM 0 HG22 VAL A 55 -3.503 -5.233 -0.170 1.00 2.00 H new ATOM 0 HG23 VAL A 55 -4.159 -5.041 -1.813 1.00 2.00 H new ATOM 870 N ILE A 56 -6.488 -2.617 -2.271 1.00 2.91 N ATOM 871 CA ILE A 56 -7.449 -2.844 -3.325 1.00 2.47 C ATOM 872 C ILE A 56 -7.000 -4.028 -4.194 1.00 2.36 C ATOM 873 O ILE A 56 -5.793 -4.347 -4.344 1.00 2.00 O ATOM 874 CB ILE A 56 -7.669 -1.526 -4.219 1.00 4.27 C ATOM 875 CG1 ILE A 56 -6.354 -0.871 -4.662 1.00 5.57 C ATOM 876 CG2 ILE A 56 -8.487 -0.528 -3.391 1.00 3.68 C ATOM 877 CD1 ILE A 56 -6.470 0.202 -5.778 1.00 5.31 C ATOM 0 H ILE A 56 -5.921 -1.777 -2.384 1.00 2.91 H new ATOM 0 HA ILE A 56 -8.408 -3.085 -2.867 1.00 2.47 H new ATOM 0 HB ILE A 56 -8.189 -1.818 -5.131 1.00 4.27 H new ATOM 0 HG12 ILE A 56 -5.889 -0.411 -3.790 1.00 5.57 H new ATOM 0 HG13 ILE A 56 -5.679 -1.654 -5.007 1.00 5.57 H new ATOM 0 HG21 ILE A 56 -8.652 0.378 -3.973 1.00 3.68 H new ATOM 0 HG22 ILE A 56 -9.448 -0.972 -3.131 1.00 3.68 H new ATOM 0 HG23 ILE A 56 -7.943 -0.280 -2.480 1.00 3.68 H new ATOM 0 HD11 ILE A 56 -5.480 0.595 -6.009 1.00 5.31 H new ATOM 0 HD12 ILE A 56 -6.900 -0.249 -6.673 1.00 5.31 H new ATOM 0 HD13 ILE A 56 -7.112 1.014 -5.437 1.00 5.31 H new ATOM 889 N ARG A 57 -8.011 -4.698 -4.788 1.00 3.25 N ATOM 890 CA ARG A 57 -7.758 -5.906 -5.587 1.00 4.24 C ATOM 891 C ARG A 57 -6.769 -5.710 -6.734 1.00 2.00 C ATOM 892 O ARG A 57 -6.004 -6.616 -6.997 1.00 2.00 O ATOM 893 CB ARG A 57 -9.116 -6.439 -6.143 1.00 6.66 C ATOM 894 CG ARG A 57 -8.969 -7.724 -6.943 1.00 10.53 C ATOM 895 CD ARG A 57 -10.274 -8.322 -7.474 1.00 14.34 C ATOM 896 NE ARG A 57 -9.854 -9.520 -8.208 1.00 15.24 N ATOM 897 CZ ARG A 57 -10.646 -10.299 -8.969 1.00 17.74 C ATOM 898 NH1 ARG A 57 -11.960 -10.078 -9.149 1.00 18.93 N ATOM 899 NH2 ARG A 57 -10.062 -11.347 -9.574 1.00 19.11 N ATOM 0 H ARG A 57 -8.992 -4.425 -4.729 1.00 3.25 H new ATOM 0 HA ARG A 57 -7.290 -6.628 -4.918 1.00 4.24 H new ATOM 0 HB2 ARG A 57 -9.800 -6.612 -5.312 1.00 6.66 H new ATOM 0 HB3 ARG A 57 -9.569 -5.674 -6.774 1.00 6.66 H new ATOM 0 HG2 ARG A 57 -8.307 -7.532 -7.788 1.00 10.53 H new ATOM 0 HG3 ARG A 57 -8.477 -8.468 -6.316 1.00 10.53 H new ATOM 0 HD2 ARG A 57 -10.956 -8.573 -6.661 1.00 14.34 H new ATOM 0 HD3 ARG A 57 -10.797 -7.621 -8.124 1.00 14.34 H new ATOM 0 HE ARG A 57 -8.872 -9.788 -8.135 1.00 15.24 H new ATOM 0 HH11 ARG A 57 -12.410 -9.283 -8.696 1.00 18.93 H new ATOM 0 HH12 ARG A 57 -12.507 -10.706 -9.739 1.00 18.93 H new ATOM 0 HH21 ARG A 57 -9.065 -11.520 -9.445 1.00 19.11 H new ATOM 0 HH22 ARG A 57 -10.616 -11.970 -10.162 1.00 19.11 H new ATOM 913 N GLY A 58 -6.690 -4.601 -7.442 1.00 2.00 N ATOM 914 CA GLY A 58 -5.709 -4.427 -8.490 1.00 2.00 C ATOM 915 C GLY A 58 -4.270 -4.377 -7.944 1.00 2.93 C ATOM 916 O GLY A 58 -3.328 -4.661 -8.706 1.00 2.06 O ATOM 0 H GLY A 58 -7.304 -3.798 -7.306 1.00 2.00 H new ATOM 0 HA2 GLY A 58 -5.795 -5.246 -9.205 1.00 2.00 H new ATOM 0 HA3 GLY A 58 -5.921 -3.506 -9.033 1.00 2.00 H new ATOM 920 N TRP A 59 -4.081 -4.016 -6.654 1.00 2.66 N ATOM 921 CA TRP A 59 -2.764 -4.074 -5.988 1.00 2.01 C ATOM 922 C TRP A 59 -2.360 -5.522 -5.654 1.00 4.56 C ATOM 923 O TRP A 59 -1.293 -5.989 -6.107 1.00 3.85 O ATOM 924 CB TRP A 59 -2.775 -3.229 -4.695 1.00 2.42 C ATOM 925 CG TRP A 59 -2.219 -1.834 -4.933 1.00 3.74 C ATOM 926 CD1 TRP A 59 -2.751 -0.972 -5.877 1.00 2.71 C ATOM 927 CD2 TRP A 59 -1.122 -1.287 -4.285 1.00 5.38 C ATOM 928 NE1 TRP A 59 -1.992 0.106 -5.824 1.00 4.59 N ATOM 929 CE2 TRP A 59 -1.016 -0.042 -4.898 1.00 4.49 C ATOM 930 CE3 TRP A 59 -0.236 -1.688 -3.290 1.00 4.69 C ATOM 931 CZ2 TRP A 59 -0.018 0.827 -4.522 1.00 6.46 C ATOM 932 CZ3 TRP A 59 0.756 -0.822 -2.922 1.00 6.70 C ATOM 933 CH2 TRP A 59 0.863 0.416 -3.530 1.00 7.96 C ATOM 0 H TRP A 59 -4.832 -3.679 -6.052 1.00 2.66 H new ATOM 0 HA TRP A 59 -2.030 -3.666 -6.683 1.00 2.01 H new ATOM 0 HB2 TRP A 59 -3.795 -3.155 -4.317 1.00 2.42 H new ATOM 0 HB3 TRP A 59 -2.186 -3.730 -3.927 1.00 2.42 H new ATOM 0 HD1 TRP A 59 -3.603 -1.145 -6.518 1.00 2.71 H new ATOM 0 HE1 TRP A 59 -2.123 0.937 -6.401 1.00 4.59 H new ATOM 0 HE3 TRP A 59 -0.329 -2.657 -2.821 1.00 4.69 H new ATOM 0 HZ2 TRP A 59 0.077 1.799 -4.984 1.00 6.46 H new ATOM 0 HZ3 TRP A 59 1.459 -1.106 -2.153 1.00 6.70 H new ATOM 0 HH2 TRP A 59 1.655 1.083 -3.224 1.00 7.96 H new ATOM 944 N GLU A 60 -3.191 -6.295 -4.929 1.00 5.21 N ATOM 945 CA GLU A 60 -2.951 -7.731 -4.668 1.00 6.47 C ATOM 946 C GLU A 60 -2.538 -8.473 -5.947 1.00 6.41 C ATOM 947 O GLU A 60 -1.632 -9.329 -5.994 1.00 4.95 O ATOM 948 CB GLU A 60 -4.219 -8.469 -4.171 1.00 8.59 C ATOM 949 CG GLU A 60 -4.945 -7.953 -2.925 1.00 12.19 C ATOM 950 CD GLU A 60 -4.394 -8.400 -1.565 1.00 14.08 C ATOM 951 OE1 GLU A 60 -3.189 -8.317 -1.357 1.00 15.05 O ATOM 952 OE2 GLU A 60 -5.170 -8.815 -0.706 1.00 12.54 O ATOM 0 H GLU A 60 -4.050 -5.943 -4.506 1.00 5.21 H new ATOM 0 HA GLU A 60 -2.168 -7.743 -3.910 1.00 6.47 H new ATOM 0 HB2 GLU A 60 -4.938 -8.474 -4.991 1.00 8.59 H new ATOM 0 HB3 GLU A 60 -3.942 -9.506 -3.983 1.00 8.59 H new ATOM 0 HG2 GLU A 60 -4.935 -6.863 -2.953 1.00 12.19 H new ATOM 0 HG3 GLU A 60 -5.988 -8.264 -2.987 1.00 12.19 H new ATOM 959 N GLU A 61 -3.266 -8.167 -7.024 1.00 5.65 N ATOM 960 CA GLU A 61 -3.001 -8.783 -8.317 1.00 6.52 C ATOM 961 C GLU A 61 -1.822 -8.194 -9.049 1.00 5.27 C ATOM 962 O GLU A 61 -1.076 -8.927 -9.710 1.00 3.77 O ATOM 963 CB GLU A 61 -4.230 -8.654 -9.208 1.00 9.22 C ATOM 964 CG GLU A 61 -5.481 -9.267 -8.557 1.00 14.36 C ATOM 965 CD GLU A 61 -5.975 -10.544 -9.226 1.00 19.08 C ATOM 966 OE1 GLU A 61 -5.369 -11.588 -8.990 1.00 20.27 O ATOM 967 OE2 GLU A 61 -6.936 -10.476 -9.999 1.00 17.50 O ATOM 0 H GLU A 61 -4.038 -7.500 -7.022 1.00 5.65 H new ATOM 0 HA GLU A 61 -2.761 -9.825 -8.105 1.00 6.52 H new ATOM 0 HB2 GLU A 61 -4.413 -7.601 -9.424 1.00 9.22 H new ATOM 0 HB3 GLU A 61 -4.040 -9.146 -10.162 1.00 9.22 H new ATOM 0 HG2 GLU A 61 -5.264 -9.480 -7.510 1.00 14.36 H new ATOM 0 HG3 GLU A 61 -6.283 -8.529 -8.573 1.00 14.36 H new ATOM 974 N GLY A 62 -1.584 -6.890 -8.939 1.00 2.00 N ATOM 975 CA GLY A 62 -0.533 -6.298 -9.711 1.00 2.02 C ATOM 976 C GLY A 62 0.838 -6.410 -9.095 1.00 2.26 C ATOM 977 O GLY A 62 1.838 -6.751 -9.758 1.00 4.04 O ATOM 0 H GLY A 62 -2.098 -6.249 -8.335 1.00 2.00 H new ATOM 0 HA2 GLY A 62 -0.514 -6.767 -10.695 1.00 2.02 H new ATOM 0 HA3 GLY A 62 -0.763 -5.244 -9.865 1.00 2.02 H new ATOM 981 N VAL A 63 0.931 -6.124 -7.813 1.00 2.35 N ATOM 982 CA VAL A 63 2.207 -6.201 -7.169 1.00 3.82 C ATOM 983 C VAL A 63 2.668 -7.679 -7.114 1.00 3.38 C ATOM 984 O VAL A 63 3.870 -7.957 -7.191 1.00 2.43 O ATOM 985 CB VAL A 63 2.074 -5.506 -5.773 1.00 3.21 C ATOM 986 CG1 VAL A 63 3.412 -5.648 -5.052 1.00 2.73 C ATOM 987 CG2 VAL A 63 1.856 -3.970 -5.900 1.00 5.35 C ATOM 0 H VAL A 63 0.153 -5.843 -7.216 1.00 2.35 H new ATOM 0 HA VAL A 63 2.988 -5.676 -7.719 1.00 3.82 H new ATOM 0 HB VAL A 63 1.231 -5.967 -5.259 1.00 3.21 H new ATOM 0 HG11 VAL A 63 3.350 -5.172 -4.073 1.00 2.73 H new ATOM 0 HG12 VAL A 63 3.648 -6.705 -4.927 1.00 2.73 H new ATOM 0 HG13 VAL A 63 4.195 -5.169 -5.640 1.00 2.73 H new ATOM 0 HG21 VAL A 63 1.769 -3.531 -4.906 1.00 5.35 H new ATOM 0 HG22 VAL A 63 2.703 -3.524 -6.421 1.00 5.35 H new ATOM 0 HG23 VAL A 63 0.942 -3.777 -6.462 1.00 5.35 H new ATOM 997 N ALA A 64 1.779 -8.681 -7.100 1.00 2.32 N ATOM 998 CA ALA A 64 2.203 -10.070 -7.126 1.00 2.00 C ATOM 999 C ALA A 64 2.928 -10.432 -8.419 1.00 2.06 C ATOM 1000 O ALA A 64 3.704 -11.383 -8.469 1.00 3.03 O ATOM 1001 CB ALA A 64 1.029 -11.003 -7.002 1.00 2.22 C ATOM 0 H ALA A 64 0.768 -8.548 -7.071 1.00 2.32 H new ATOM 0 HA ALA A 64 2.880 -10.182 -6.279 1.00 2.00 H new ATOM 0 HB1 ALA A 64 1.380 -12.035 -7.025 1.00 2.22 H new ATOM 0 HB2 ALA A 64 0.513 -10.816 -6.060 1.00 2.22 H new ATOM 0 HB3 ALA A 64 0.342 -10.835 -7.831 1.00 2.22 H new ATOM 1007 N GLN A 65 2.741 -9.613 -9.464 1.00 2.11 N ATOM 1008 CA GLN A 65 3.439 -9.785 -10.717 1.00 2.06 C ATOM 1009 C GLN A 65 4.800 -9.150 -10.723 1.00 2.00 C ATOM 1010 O GLN A 65 5.473 -9.231 -11.734 1.00 2.00 O ATOM 1011 CB GLN A 65 2.627 -9.192 -11.852 1.00 2.23 C ATOM 1012 CG GLN A 65 1.440 -10.138 -12.155 1.00 2.09 C ATOM 1013 CD GLN A 65 0.507 -9.514 -13.192 1.00 3.49 C ATOM 1014 OE1 GLN A 65 0.828 -9.433 -14.367 1.00 3.09 O ATOM 1015 NE2 GLN A 65 -0.638 -8.992 -12.810 1.00 2.33 N ATOM 0 H GLN A 65 2.101 -8.819 -9.451 1.00 2.11 H new ATOM 0 HA GLN A 65 3.569 -10.859 -10.849 1.00 2.06 H new ATOM 0 HB2 GLN A 65 2.262 -8.202 -11.579 1.00 2.23 H new ATOM 0 HB3 GLN A 65 3.249 -9.069 -12.739 1.00 2.23 H new ATOM 0 HG2 GLN A 65 1.814 -11.094 -12.523 1.00 2.09 H new ATOM 0 HG3 GLN A 65 0.888 -10.343 -11.238 1.00 2.09 H new ATOM 0 HE21 GLN A 65 -0.924 -9.049 -11.833 1.00 2.33 H new ATOM 0 HE22 GLN A 65 -1.240 -8.530 -13.491 1.00 2.33 H new ATOM 1024 N MET A 66 5.258 -8.517 -9.654 1.00 2.34 N ATOM 1025 CA MET A 66 6.486 -7.751 -9.689 1.00 2.31 C ATOM 1026 C MET A 66 7.562 -8.487 -8.926 1.00 2.15 C ATOM 1027 O MET A 66 7.273 -9.138 -7.933 1.00 2.00 O ATOM 1028 CB MET A 66 6.300 -6.400 -9.049 1.00 2.00 C ATOM 1029 CG MET A 66 5.239 -5.575 -9.781 1.00 2.45 C ATOM 1030 SD MET A 66 4.868 -3.981 -8.998 1.00 3.75 S ATOM 1031 CE MET A 66 6.489 -3.217 -9.148 1.00 2.08 C ATOM 0 H MET A 66 4.791 -8.521 -8.747 1.00 2.34 H new ATOM 0 HA MET A 66 6.770 -7.620 -10.733 1.00 2.31 H new ATOM 0 HB2 MET A 66 6.009 -6.527 -8.006 1.00 2.00 H new ATOM 0 HB3 MET A 66 7.247 -5.861 -9.052 1.00 2.00 H new ATOM 0 HG2 MET A 66 5.574 -5.396 -10.803 1.00 2.45 H new ATOM 0 HG3 MET A 66 4.321 -6.159 -9.845 1.00 2.45 H new ATOM 0 HE1 MET A 66 6.373 -2.166 -9.412 1.00 2.08 H new ATOM 0 HE2 MET A 66 7.018 -3.296 -8.198 1.00 2.08 H new ATOM 0 HE3 MET A 66 7.060 -3.725 -9.925 1.00 2.08 H new ATOM 1041 N SER A 67 8.803 -8.418 -9.416 1.00 2.30 N ATOM 1042 CA SER A 67 9.966 -8.964 -8.742 1.00 2.08 C ATOM 1043 C SER A 67 10.647 -7.874 -7.919 1.00 2.00 C ATOM 1044 O SER A 67 10.527 -6.697 -8.276 1.00 2.00 O ATOM 1045 CB SER A 67 10.914 -9.512 -9.777 1.00 2.00 C ATOM 1046 OG SER A 67 11.178 -8.682 -10.900 1.00 2.05 O ATOM 0 H SER A 67 9.023 -7.972 -10.307 1.00 2.30 H new ATOM 0 HA SER A 67 9.664 -9.765 -8.067 1.00 2.08 H new ATOM 0 HB2 SER A 67 11.862 -9.734 -9.287 1.00 2.00 H new ATOM 0 HB3 SER A 67 10.513 -10.458 -10.139 1.00 2.00 H new ATOM 0 HG SER A 67 11.215 -9.231 -11.711 1.00 2.05 H new ATOM 1052 N VAL A 68 11.383 -8.201 -6.870 1.00 2.00 N ATOM 1053 CA VAL A 68 12.051 -7.203 -6.057 1.00 2.47 C ATOM 1054 C VAL A 68 12.979 -6.370 -6.922 1.00 2.15 C ATOM 1055 O VAL A 68 13.736 -6.889 -7.757 1.00 2.01 O ATOM 1056 CB VAL A 68 12.835 -7.901 -4.912 1.00 2.10 C ATOM 1057 CG1 VAL A 68 13.654 -6.893 -4.087 1.00 2.14 C ATOM 1058 CG2 VAL A 68 11.835 -8.650 -4.090 1.00 2.00 C ATOM 0 H VAL A 68 11.533 -9.161 -6.560 1.00 2.00 H new ATOM 0 HA VAL A 68 11.310 -6.538 -5.613 1.00 2.47 H new ATOM 0 HB VAL A 68 13.573 -8.596 -5.313 1.00 2.10 H new ATOM 0 HG11 VAL A 68 14.188 -7.419 -3.296 1.00 2.14 H new ATOM 0 HG12 VAL A 68 14.370 -6.389 -4.736 1.00 2.14 H new ATOM 0 HG13 VAL A 68 12.984 -6.156 -3.644 1.00 2.14 H new ATOM 0 HG21 VAL A 68 12.344 -9.158 -3.271 1.00 2.00 H new ATOM 0 HG22 VAL A 68 11.102 -7.953 -3.685 1.00 2.00 H new ATOM 0 HG23 VAL A 68 11.329 -9.386 -4.714 1.00 2.00 H new ATOM 1068 N GLY A 69 12.819 -5.062 -6.760 1.00 2.40 N ATOM 1069 CA GLY A 69 13.585 -4.057 -7.455 1.00 2.09 C ATOM 1070 C GLY A 69 12.806 -3.383 -8.578 1.00 2.24 C ATOM 1071 O GLY A 69 13.249 -2.348 -9.098 1.00 2.61 O ATOM 0 H GLY A 69 12.129 -4.668 -6.120 1.00 2.40 H new ATOM 0 HA2 GLY A 69 13.912 -3.300 -6.742 1.00 2.09 H new ATOM 0 HA3 GLY A 69 14.484 -4.515 -7.868 1.00 2.09 H new ATOM 1075 N GLN A 70 11.648 -3.948 -8.956 1.00 2.82 N ATOM 1076 CA GLN A 70 10.967 -3.473 -10.116 1.00 2.29 C ATOM 1077 C GLN A 70 10.095 -2.287 -9.828 1.00 2.00 C ATOM 1078 O GLN A 70 9.585 -2.111 -8.729 1.00 2.00 O ATOM 1079 CB GLN A 70 10.183 -4.612 -10.670 1.00 4.50 C ATOM 1080 CG GLN A 70 9.684 -4.383 -12.082 1.00 5.27 C ATOM 1081 CD GLN A 70 8.741 -5.488 -12.579 1.00 4.45 C ATOM 1082 OE1 GLN A 70 8.034 -5.347 -13.582 1.00 6.53 O ATOM 1083 NE2 GLN A 70 8.714 -6.648 -11.950 1.00 2.24 N ATOM 0 H GLN A 70 11.190 -4.719 -8.469 1.00 2.82 H new ATOM 0 HA GLN A 70 11.694 -3.119 -10.847 1.00 2.29 H new ATOM 0 HB2 GLN A 70 10.803 -5.509 -10.655 1.00 4.50 H new ATOM 0 HB3 GLN A 70 9.329 -4.803 -10.020 1.00 4.50 H new ATOM 0 HG2 GLN A 70 9.165 -3.425 -12.126 1.00 5.27 H new ATOM 0 HG3 GLN A 70 10.538 -4.314 -12.755 1.00 5.27 H new ATOM 0 HE21 GLN A 70 9.288 -6.791 -11.119 1.00 2.24 H new ATOM 0 HE22 GLN A 70 8.119 -7.401 -12.295 1.00 2.24 H new ATOM 1092 N ARG A 71 10.051 -1.409 -10.821 1.00 4.23 N ATOM 1093 CA ARG A 71 9.248 -0.185 -10.772 1.00 3.45 C ATOM 1094 C ARG A 71 8.383 -0.308 -12.009 1.00 2.00 C ATOM 1095 O ARG A 71 8.893 -0.624 -13.093 1.00 2.00 O ATOM 1096 CB ARG A 71 10.126 1.060 -10.841 1.00 2.11 C ATOM 1097 CG ARG A 71 9.240 2.332 -10.796 1.00 5.11 C ATOM 1098 CD ARG A 71 10.069 3.485 -10.258 1.00 8.54 C ATOM 1099 NE ARG A 71 9.327 4.729 -10.396 1.00 9.92 N ATOM 1100 CZ ARG A 71 9.836 5.895 -10.019 1.00 11.22 C ATOM 1101 NH1 ARG A 71 11.080 6.001 -9.484 1.00 12.09 N ATOM 1102 NH2 ARG A 71 9.071 6.974 -10.169 1.00 12.36 N ATOM 0 H ARG A 71 10.573 -1.523 -11.690 1.00 4.23 H new ATOM 0 HA ARG A 71 8.678 -0.081 -9.849 1.00 3.45 H new ATOM 0 HB2 ARG A 71 10.830 1.066 -10.009 1.00 2.11 H new ATOM 0 HB3 ARG A 71 10.716 1.049 -11.757 1.00 2.11 H new ATOM 0 HG2 ARG A 71 8.867 2.568 -11.793 1.00 5.11 H new ATOM 0 HG3 ARG A 71 8.370 2.164 -10.161 1.00 5.11 H new ATOM 0 HD2 ARG A 71 10.315 3.311 -9.210 1.00 8.54 H new ATOM 0 HD3 ARG A 71 11.012 3.551 -10.800 1.00 8.54 H new ATOM 0 HE ARG A 71 8.388 4.704 -10.794 1.00 9.92 H new ATOM 0 HH11 ARG A 71 11.655 5.168 -9.361 1.00 12.09 H new ATOM 0 HH12 ARG A 71 11.439 6.914 -9.205 1.00 12.09 H new ATOM 0 HH21 ARG A 71 8.133 6.884 -10.561 1.00 12.36 H new ATOM 0 HH22 ARG A 71 9.422 7.891 -9.892 1.00 12.36 H new ATOM 1116 N ALA A 72 7.077 -0.236 -11.738 1.00 2.87 N ATOM 1117 CA ALA A 72 6.050 -0.393 -12.750 1.00 2.85 C ATOM 1118 C ALA A 72 4.836 0.517 -12.561 1.00 3.85 C ATOM 1119 O ALA A 72 4.568 1.052 -11.471 1.00 5.84 O ATOM 1120 CB ALA A 72 5.551 -1.829 -12.776 1.00 2.19 C ATOM 0 H ALA A 72 6.709 -0.066 -10.802 1.00 2.87 H new ATOM 0 HA ALA A 72 6.532 -0.112 -13.686 1.00 2.85 H new ATOM 0 HB1 ALA A 72 4.781 -1.933 -13.540 1.00 2.19 H new ATOM 0 HB2 ALA A 72 6.381 -2.498 -13.004 1.00 2.19 H new ATOM 0 HB3 ALA A 72 5.134 -2.087 -11.803 1.00 2.19 H new ATOM 1126 N LYS A 73 4.127 0.766 -13.650 1.00 5.73 N ATOM 1127 CA LYS A 73 2.884 1.516 -13.651 1.00 4.79 C ATOM 1128 C LYS A 73 1.723 0.531 -13.734 1.00 5.06 C ATOM 1129 O LYS A 73 1.591 -0.288 -14.644 1.00 4.43 O ATOM 1130 CB LYS A 73 2.940 2.435 -14.836 1.00 7.22 C ATOM 1131 CG LYS A 73 1.769 3.386 -15.018 1.00 9.20 C ATOM 1132 CD LYS A 73 1.995 3.828 -16.439 1.00 11.07 C ATOM 1133 CE LYS A 73 0.967 4.803 -16.943 1.00 14.75 C ATOM 1134 NZ LYS A 73 1.064 4.917 -18.410 1.00 16.57 N ATOM 0 H LYS A 73 4.407 0.445 -14.577 1.00 5.73 H new ATOM 0 HA LYS A 73 2.742 2.106 -12.746 1.00 4.79 H new ATOM 0 HB2 LYS A 73 3.852 3.028 -14.764 1.00 7.22 H new ATOM 0 HB3 LYS A 73 3.026 1.825 -15.736 1.00 7.22 H new ATOM 0 HG2 LYS A 73 0.807 2.890 -14.886 1.00 9.20 H new ATOM 0 HG3 LYS A 73 1.798 4.219 -14.315 1.00 9.20 H new ATOM 0 HD2 LYS A 73 2.982 4.284 -16.515 1.00 11.07 H new ATOM 0 HD3 LYS A 73 1.998 2.951 -17.086 1.00 11.07 H new ATOM 0 HE2 LYS A 73 -0.032 4.471 -16.660 1.00 14.75 H new ATOM 0 HE3 LYS A 73 1.121 5.779 -16.482 1.00 14.75 H new ATOM 0 HZ1 LYS A 73 0.260 5.470 -18.769 1.00 16.57 H new ATOM 0 HZ2 LYS A 73 1.953 5.394 -18.663 1.00 16.57 H new ATOM 0 HZ3 LYS A 73 1.048 3.967 -18.834 1.00 16.57 H new ATOM 1148 N LEU A 74 0.820 0.565 -12.771 1.00 5.22 N ATOM 1149 CA LEU A 74 -0.289 -0.349 -12.688 1.00 4.39 C ATOM 1150 C LEU A 74 -1.529 0.429 -13.088 1.00 3.32 C ATOM 1151 O LEU A 74 -1.838 1.413 -12.400 1.00 4.92 O ATOM 1152 CB LEU A 74 -0.304 -0.843 -11.231 1.00 5.27 C ATOM 1153 CG LEU A 74 0.317 -2.217 -10.813 1.00 5.86 C ATOM 1154 CD1 LEU A 74 1.592 -2.535 -11.596 1.00 2.84 C ATOM 1155 CD2 LEU A 74 0.473 -2.171 -9.299 1.00 5.61 C ATOM 0 H LEU A 74 0.844 1.246 -12.012 1.00 5.22 H new ATOM 0 HA LEU A 74 -0.230 -1.217 -13.345 1.00 4.39 H new ATOM 0 HB2 LEU A 74 0.195 -0.079 -10.635 1.00 5.27 H new ATOM 0 HB3 LEU A 74 -1.347 -0.861 -10.916 1.00 5.27 H new ATOM 0 HG LEU A 74 -0.329 -3.056 -11.071 1.00 5.86 H new ATOM 0 HD11 LEU A 74 1.987 -3.498 -11.272 1.00 2.84 H new ATOM 0 HD12 LEU A 74 1.364 -2.576 -12.661 1.00 2.84 H new ATOM 0 HD13 LEU A 74 2.334 -1.758 -11.413 1.00 2.84 H new ATOM 0 HD21 LEU A 74 0.904 -3.109 -8.949 1.00 5.61 H new ATOM 0 HD22 LEU A 74 1.130 -1.345 -9.026 1.00 5.61 H new ATOM 0 HD23 LEU A 74 -0.503 -2.026 -8.837 1.00 5.61 H new ATOM 1167 N THR A 75 -2.210 0.127 -14.194 1.00 2.21 N ATOM 1168 CA THR A 75 -3.463 0.826 -14.542 1.00 3.18 C ATOM 1169 C THR A 75 -4.605 -0.105 -14.083 1.00 5.53 C ATOM 1170 O THR A 75 -4.666 -1.261 -14.544 1.00 2.15 O ATOM 1171 CB THR A 75 -3.474 1.061 -16.067 1.00 4.54 C ATOM 1172 OG1 THR A 75 -2.308 1.822 -16.331 1.00 5.76 O ATOM 1173 CG2 THR A 75 -4.714 1.765 -16.571 1.00 3.49 C ATOM 0 H THR A 75 -1.925 -0.588 -14.863 1.00 2.21 H new ATOM 0 HA THR A 75 -3.570 1.799 -14.063 1.00 3.18 H new ATOM 0 HB THR A 75 -3.485 0.107 -16.593 1.00 4.54 H new ATOM 0 HG1 THR A 75 -1.561 1.219 -16.527 1.00 5.76 H new ATOM 0 HG21 THR A 75 -4.646 1.893 -17.651 1.00 3.49 H new ATOM 0 HG22 THR A 75 -5.594 1.168 -16.331 1.00 3.49 H new ATOM 0 HG23 THR A 75 -4.797 2.742 -16.094 1.00 3.49 H new ATOM 1181 N ILE A 76 -5.469 0.372 -13.182 1.00 2.00 N ATOM 1182 CA ILE A 76 -6.422 -0.455 -12.476 1.00 2.17 C ATOM 1183 C ILE A 76 -7.837 0.038 -12.803 1.00 2.90 C ATOM 1184 O ILE A 76 -8.145 1.229 -12.600 1.00 3.36 O ATOM 1185 CB ILE A 76 -6.165 -0.335 -10.949 1.00 2.04 C ATOM 1186 CG1 ILE A 76 -4.703 -0.651 -10.650 1.00 2.00 C ATOM 1187 CG2 ILE A 76 -7.156 -1.190 -10.183 1.00 2.00 C ATOM 1188 CD1 ILE A 76 -4.298 -0.515 -9.187 1.00 2.00 C ATOM 0 H ILE A 76 -5.518 1.358 -12.927 1.00 2.00 H new ATOM 0 HA ILE A 76 -6.317 -1.497 -12.778 1.00 2.17 H new ATOM 0 HB ILE A 76 -6.333 0.687 -10.609 1.00 2.04 H new ATOM 0 HG12 ILE A 76 -4.494 -1.670 -10.976 1.00 2.00 H new ATOM 0 HG13 ILE A 76 -4.075 0.010 -11.248 1.00 2.00 H new ATOM 0 HG21 ILE A 76 -6.966 -1.098 -9.114 1.00 2.00 H new ATOM 0 HG22 ILE A 76 -8.170 -0.856 -10.401 1.00 2.00 H new ATOM 0 HG23 ILE A 76 -7.045 -2.232 -10.483 1.00 2.00 H new ATOM 0 HD11 ILE A 76 -3.242 -0.761 -9.078 1.00 2.00 H new ATOM 0 HD12 ILE A 76 -4.469 0.509 -8.856 1.00 2.00 H new ATOM 0 HD13 ILE A 76 -4.894 -1.196 -8.580 1.00 2.00 H new ATOM 1200 N SER A 77 -8.672 -0.860 -13.340 1.00 2.00 N ATOM 1201 CA SER A 77 -10.056 -0.537 -13.645 1.00 2.58 C ATOM 1202 C SER A 77 -10.842 -0.273 -12.364 1.00 3.63 C ATOM 1203 O SER A 77 -10.537 -0.926 -11.352 1.00 2.11 O ATOM 1204 CB SER A 77 -10.728 -1.700 -14.393 1.00 2.42 C ATOM 1205 OG SER A 77 -10.818 -2.946 -13.674 1.00 4.94 O ATOM 0 H SER A 77 -8.404 -1.817 -13.570 1.00 2.00 H new ATOM 0 HA SER A 77 -10.056 0.357 -14.269 1.00 2.58 H new ATOM 0 HB2 SER A 77 -11.735 -1.392 -14.673 1.00 2.42 H new ATOM 0 HB3 SER A 77 -10.179 -1.876 -15.318 1.00 2.42 H new ATOM 0 HG SER A 77 -11.703 -3.342 -13.816 1.00 4.94 H new ATOM 1211 N PRO A 78 -11.934 0.512 -12.351 1.00 2.00 N ATOM 1212 CA PRO A 78 -12.679 0.816 -11.151 1.00 2.12 C ATOM 1213 C PRO A 78 -13.164 -0.390 -10.386 1.00 2.38 C ATOM 1214 O PRO A 78 -13.131 -0.363 -9.153 1.00 6.21 O ATOM 1215 CB PRO A 78 -13.835 1.743 -11.589 1.00 2.04 C ATOM 1216 CG PRO A 78 -13.790 1.753 -13.110 1.00 2.00 C ATOM 1217 CD PRO A 78 -12.374 1.343 -13.470 1.00 2.04 C ATOM 0 HA PRO A 78 -12.021 1.303 -10.431 1.00 2.12 H new ATOM 0 HB2 PRO A 78 -14.794 1.373 -11.227 1.00 2.04 H new ATOM 0 HB3 PRO A 78 -13.708 2.748 -11.185 1.00 2.04 H new ATOM 0 HG2 PRO A 78 -14.519 1.060 -13.530 1.00 2.00 H new ATOM 0 HG3 PRO A 78 -14.026 2.741 -13.504 1.00 2.00 H new ATOM 0 HD2 PRO A 78 -12.348 0.790 -14.409 1.00 2.04 H new ATOM 0 HD3 PRO A 78 -11.729 2.213 -13.595 1.00 2.04 H new ATOM 1225 N ASP A 79 -13.536 -1.466 -11.076 1.00 4.75 N ATOM 1226 CA ASP A 79 -14.028 -2.642 -10.390 1.00 5.91 C ATOM 1227 C ASP A 79 -12.956 -3.392 -9.610 1.00 6.52 C ATOM 1228 O ASP A 79 -13.279 -4.280 -8.824 1.00 5.97 O ATOM 1229 CB ASP A 79 -14.713 -3.596 -11.416 1.00 8.82 C ATOM 1230 CG ASP A 79 -13.870 -4.223 -12.510 1.00 12.39 C ATOM 1231 OD1 ASP A 79 -13.445 -3.515 -13.420 1.00 14.22 O ATOM 1232 OD2 ASP A 79 -13.644 -5.438 -12.468 1.00 15.85 O ATOM 0 H ASP A 79 -13.505 -1.541 -12.093 1.00 4.75 H new ATOM 0 HA ASP A 79 -14.749 -2.294 -9.651 1.00 5.91 H new ATOM 0 HB2 ASP A 79 -15.178 -4.406 -10.854 1.00 8.82 H new ATOM 0 HB3 ASP A 79 -15.517 -3.039 -11.898 1.00 8.82 H new ATOM 1237 N TYR A 80 -11.684 -3.050 -9.891 1.00 5.54 N ATOM 1238 CA TYR A 80 -10.496 -3.556 -9.224 1.00 5.25 C ATOM 1239 C TYR A 80 -9.922 -2.544 -8.259 1.00 3.95 C ATOM 1240 O TYR A 80 -8.805 -2.670 -7.753 1.00 2.27 O ATOM 1241 CB TYR A 80 -9.459 -3.858 -10.234 1.00 5.38 C ATOM 1242 CG TYR A 80 -9.613 -5.252 -10.728 1.00 9.01 C ATOM 1243 CD1 TYR A 80 -10.725 -5.617 -11.449 1.00 9.02 C ATOM 1244 CD2 TYR A 80 -8.602 -6.139 -10.449 1.00 9.72 C ATOM 1245 CE1 TYR A 80 -10.833 -6.899 -11.914 1.00 11.03 C ATOM 1246 CE2 TYR A 80 -8.701 -7.432 -10.905 1.00 10.74 C ATOM 1247 CZ TYR A 80 -9.818 -7.801 -11.640 1.00 11.52 C ATOM 1248 OH TYR A 80 -9.866 -9.083 -12.161 1.00 10.51 O ATOM 0 H TYR A 80 -11.459 -2.380 -10.627 1.00 5.54 H new ATOM 0 HA TYR A 80 -10.786 -4.449 -8.671 1.00 5.25 H new ATOM 0 HB2 TYR A 80 -9.537 -3.159 -11.067 1.00 5.38 H new ATOM 0 HB3 TYR A 80 -8.468 -3.726 -9.799 1.00 5.38 H new ATOM 0 HD1 TYR A 80 -11.506 -4.898 -11.647 1.00 9.02 H new ATOM 0 HD2 TYR A 80 -7.740 -5.825 -9.879 1.00 9.72 H new ATOM 0 HE1 TYR A 80 -11.697 -7.203 -12.486 1.00 11.03 H new ATOM 0 HE2 TYR A 80 -7.921 -8.149 -10.694 1.00 10.74 H new ATOM 0 HH TYR A 80 -9.075 -9.584 -11.871 1.00 10.51 H new ATOM 1258 N ALA A 81 -10.670 -1.496 -7.998 1.00 3.70 N ATOM 1259 CA ALA A 81 -10.221 -0.413 -7.142 1.00 2.09 C ATOM 1260 C ALA A 81 -11.415 -0.056 -6.268 1.00 2.54 C ATOM 1261 O ALA A 81 -11.864 -0.950 -5.550 1.00 2.00 O ATOM 1262 CB ALA A 81 -9.763 0.736 -8.048 1.00 2.00 C ATOM 0 H ALA A 81 -11.610 -1.367 -8.373 1.00 3.70 H new ATOM 0 HA ALA A 81 -9.378 -0.665 -6.499 1.00 2.09 H new ATOM 0 HB1 ALA A 81 -9.418 1.568 -7.434 1.00 2.00 H new ATOM 0 HB2 ALA A 81 -8.948 0.394 -8.686 1.00 2.00 H new ATOM 0 HB3 ALA A 81 -10.597 1.064 -8.669 1.00 2.00 H new ATOM 1268 N TYR A 82 -12.009 1.158 -6.326 1.00 3.23 N ATOM 1269 CA TYR A 82 -13.075 1.619 -5.427 1.00 2.24 C ATOM 1270 C TYR A 82 -14.507 1.596 -6.022 1.00 3.91 C ATOM 1271 O TYR A 82 -15.497 2.029 -5.394 1.00 3.42 O ATOM 1272 CB TYR A 82 -12.670 3.031 -4.978 1.00 3.55 C ATOM 1273 CG TYR A 82 -11.401 3.033 -4.152 1.00 2.13 C ATOM 1274 CD1 TYR A 82 -11.393 2.503 -2.855 1.00 3.05 C ATOM 1275 CD2 TYR A 82 -10.230 3.523 -4.715 1.00 3.38 C ATOM 1276 CE1 TYR A 82 -10.217 2.445 -2.124 1.00 3.83 C ATOM 1277 CE2 TYR A 82 -9.058 3.466 -3.990 1.00 3.32 C ATOM 1278 CZ TYR A 82 -9.060 2.935 -2.712 1.00 2.65 C ATOM 1279 OH TYR A 82 -7.863 2.886 -2.028 1.00 6.84 O ATOM 0 H TYR A 82 -11.748 1.858 -7.021 1.00 3.23 H new ATOM 0 HA TYR A 82 -13.153 0.920 -4.594 1.00 2.24 H new ATOM 0 HB2 TYR A 82 -12.530 3.662 -5.856 1.00 3.55 H new ATOM 0 HB3 TYR A 82 -13.480 3.470 -4.396 1.00 3.55 H new ATOM 0 HD1 TYR A 82 -12.312 2.136 -2.421 1.00 3.05 H new ATOM 0 HD2 TYR A 82 -10.237 3.944 -5.710 1.00 3.38 H new ATOM 0 HE1 TYR A 82 -10.202 2.031 -1.127 1.00 3.83 H new ATOM 0 HE2 TYR A 82 -8.139 3.836 -4.420 1.00 3.32 H new ATOM 0 HH TYR A 82 -7.153 3.269 -2.584 1.00 6.84 H new ATOM 1289 N GLY A 83 -14.626 1.074 -7.266 1.00 2.04 N ATOM 1290 CA GLY A 83 -15.890 0.821 -7.905 1.00 3.96 C ATOM 1291 C GLY A 83 -16.706 2.086 -8.017 1.00 5.99 C ATOM 1292 O GLY A 83 -16.250 3.163 -8.404 1.00 2.62 O ATOM 0 H GLY A 83 -13.822 0.822 -7.841 1.00 2.04 H new ATOM 0 HA2 GLY A 83 -15.722 0.404 -8.898 1.00 3.96 H new ATOM 0 HA3 GLY A 83 -16.446 0.075 -7.336 1.00 3.96 H new ATOM 1296 N ALA A 84 -17.977 1.875 -7.711 1.00 7.64 N ATOM 1297 CA ALA A 84 -18.940 2.958 -7.785 1.00 8.23 C ATOM 1298 C ALA A 84 -18.897 3.812 -6.530 1.00 9.75 C ATOM 1299 O ALA A 84 -19.363 4.942 -6.609 1.00 10.11 O ATOM 1300 CB ALA A 84 -20.323 2.382 -7.959 1.00 9.35 C ATOM 0 H ALA A 84 -18.360 0.977 -7.414 1.00 7.64 H new ATOM 0 HA ALA A 84 -18.689 3.590 -8.637 1.00 8.23 H new ATOM 0 HB1 ALA A 84 -21.050 3.192 -8.015 1.00 9.35 H new ATOM 0 HB2 ALA A 84 -20.360 1.797 -8.878 1.00 9.35 H new ATOM 0 HB3 ALA A 84 -20.559 1.740 -7.110 1.00 9.35 H new ATOM 1306 N THR A 85 -18.345 3.350 -5.397 1.00 10.35 N ATOM 1307 CA THR A 85 -18.238 4.235 -4.248 1.00 11.80 C ATOM 1308 C THR A 85 -17.171 5.307 -4.435 1.00 11.44 C ATOM 1309 O THR A 85 -17.347 6.491 -4.093 1.00 13.50 O ATOM 1310 CB THR A 85 -17.897 3.400 -3.012 1.00 12.18 C ATOM 1311 OG1 THR A 85 -18.702 2.247 -3.042 1.00 13.76 O ATOM 1312 CG2 THR A 85 -18.202 4.119 -1.728 1.00 12.85 C ATOM 0 H THR A 85 -17.982 2.406 -5.262 1.00 10.35 H new ATOM 0 HA THR A 85 -19.195 4.743 -4.130 1.00 11.80 H new ATOM 0 HB THR A 85 -16.829 3.181 -3.039 1.00 12.18 H new ATOM 0 HG1 THR A 85 -18.504 1.689 -2.261 1.00 13.76 H new ATOM 0 HG21 THR A 85 -17.941 3.481 -0.883 1.00 12.85 H new ATOM 0 HG22 THR A 85 -17.622 5.040 -1.680 1.00 12.85 H new ATOM 0 HG23 THR A 85 -19.265 4.357 -1.688 1.00 12.85 H new ATOM 1320 N GLY A 86 -16.008 4.907 -4.952 1.00 9.98 N ATOM 1321 CA GLY A 86 -14.884 5.839 -4.957 1.00 8.62 C ATOM 1322 C GLY A 86 -14.371 5.955 -3.519 1.00 5.63 C ATOM 1323 O GLY A 86 -14.708 5.156 -2.644 1.00 6.65 O ATOM 0 H GLY A 86 -15.824 3.988 -5.355 1.00 9.98 H new ATOM 0 HA2 GLY A 86 -14.094 5.482 -5.618 1.00 8.62 H new ATOM 0 HA3 GLY A 86 -15.197 6.814 -5.332 1.00 8.62 H new ATOM 1327 N HIS A 87 -13.497 6.894 -3.202 1.00 6.67 N ATOM 1328 CA HIS A 87 -13.028 7.006 -1.827 1.00 8.71 C ATOM 1329 C HIS A 87 -13.472 8.392 -1.423 1.00 5.88 C ATOM 1330 O HIS A 87 -12.932 9.340 -2.025 1.00 6.76 O ATOM 1331 CB HIS A 87 -11.513 6.917 -1.745 1.00 10.42 C ATOM 1332 CG HIS A 87 -10.996 6.847 -0.308 1.00 14.33 C ATOM 1333 ND1 HIS A 87 -10.786 7.840 0.575 1.00 15.88 N ATOM 1334 CD2 HIS A 87 -10.666 5.667 0.325 1.00 14.59 C ATOM 1335 CE1 HIS A 87 -10.358 7.310 1.698 1.00 15.05 C ATOM 1336 NE2 HIS A 87 -10.293 6.003 1.532 1.00 15.30 N ATOM 0 H HIS A 87 -13.105 7.573 -3.854 1.00 6.67 H new ATOM 0 HA HIS A 87 -13.416 6.209 -1.193 1.00 8.71 H new ATOM 0 HB2 HIS A 87 -11.176 6.035 -2.290 1.00 10.42 H new ATOM 0 HB3 HIS A 87 -11.076 7.784 -2.241 1.00 10.42 H new ATOM 0 HD2 HIS A 87 -10.707 4.671 -0.091 1.00 14.59 H new ATOM 0 HE1 HIS A 87 -10.104 7.849 2.599 1.00 15.05 H new ATOM 0 HE2 HIS A 87 -9.992 5.343 2.249 1.00 15.30 H new ATOM 1345 N PRO A 88 -14.402 8.586 -0.446 1.00 7.70 N ATOM 1346 CA PRO A 88 -15.086 9.863 -0.184 1.00 10.44 C ATOM 1347 C PRO A 88 -14.085 11.017 -0.120 1.00 9.91 C ATOM 1348 O PRO A 88 -13.013 10.883 0.492 1.00 11.41 O ATOM 1349 CB PRO A 88 -15.854 9.613 1.123 1.00 10.62 C ATOM 1350 CG PRO A 88 -15.098 8.495 1.790 1.00 10.41 C ATOM 1351 CD PRO A 88 -14.718 7.612 0.598 1.00 9.40 C ATOM 0 HA PRO A 88 -15.771 10.168 -0.975 1.00 10.44 H new ATOM 0 HB2 PRO A 88 -15.877 10.506 1.748 1.00 10.62 H new ATOM 0 HB3 PRO A 88 -16.889 9.333 0.929 1.00 10.62 H new ATOM 0 HG2 PRO A 88 -14.220 8.858 2.325 1.00 10.41 H new ATOM 0 HG3 PRO A 88 -15.714 7.961 2.514 1.00 10.41 H new ATOM 0 HD2 PRO A 88 -13.865 6.973 0.825 1.00 9.40 H new ATOM 0 HD3 PRO A 88 -15.538 6.957 0.304 1.00 9.40 H new ATOM 1359 N GLY A 89 -14.366 11.976 -1.016 1.00 10.00 N ATOM 1360 CA GLY A 89 -13.536 13.153 -1.194 1.00 10.18 C ATOM 1361 C GLY A 89 -12.267 13.004 -2.064 1.00 12.92 C ATOM 1362 O GLY A 89 -11.855 13.989 -2.692 1.00 14.20 O ATOM 0 H GLY A 89 -15.178 11.947 -1.633 1.00 10.00 H new ATOM 0 HA2 GLY A 89 -14.154 13.938 -1.631 1.00 10.18 H new ATOM 0 HA3 GLY A 89 -13.229 13.501 -0.208 1.00 10.18 H new ATOM 1366 N ILE A 90 -11.644 11.815 -2.189 1.00 11.06 N ATOM 1367 CA ILE A 90 -10.394 11.678 -2.930 1.00 8.16 C ATOM 1368 C ILE A 90 -10.533 11.075 -4.307 1.00 6.45 C ATOM 1369 O ILE A 90 -9.984 11.587 -5.282 1.00 7.46 O ATOM 1370 CB ILE A 90 -9.402 10.845 -2.047 1.00 7.49 C ATOM 1371 CG1 ILE A 90 -9.162 11.606 -0.773 1.00 6.98 C ATOM 1372 CG2 ILE A 90 -8.022 10.686 -2.686 1.00 7.67 C ATOM 1373 CD1 ILE A 90 -8.614 10.747 0.361 1.00 8.17 C ATOM 0 H ILE A 90 -11.991 10.945 -1.785 1.00 11.06 H new ATOM 0 HA ILE A 90 -10.015 12.682 -3.121 1.00 8.16 H new ATOM 0 HB ILE A 90 -9.854 9.863 -1.906 1.00 7.49 H new ATOM 0 HG12 ILE A 90 -8.463 12.418 -0.972 1.00 6.98 H new ATOM 0 HG13 ILE A 90 -10.098 12.063 -0.451 1.00 6.98 H new ATOM 0 HG21 ILE A 90 -7.381 10.100 -2.027 1.00 7.67 H new ATOM 0 HG22 ILE A 90 -8.121 10.175 -3.644 1.00 7.67 H new ATOM 0 HG23 ILE A 90 -7.579 11.669 -2.844 1.00 7.67 H new ATOM 0 HD11 ILE A 90 -8.466 11.365 1.247 1.00 8.17 H new ATOM 0 HD12 ILE A 90 -9.322 9.950 0.588 1.00 8.17 H new ATOM 0 HD13 ILE A 90 -7.661 10.311 0.060 1.00 8.17 H new ATOM 1385 N ILE A 91 -11.220 9.941 -4.424 1.00 4.73 N ATOM 1386 CA ILE A 91 -11.322 9.247 -5.710 1.00 6.29 C ATOM 1387 C ILE A 91 -12.790 9.386 -6.064 1.00 3.79 C ATOM 1388 O ILE A 91 -13.586 9.099 -5.173 1.00 4.88 O ATOM 1389 CB ILE A 91 -10.966 7.730 -5.588 1.00 6.01 C ATOM 1390 CG1 ILE A 91 -9.598 7.523 -4.953 1.00 6.44 C ATOM 1391 CG2 ILE A 91 -10.996 7.095 -6.958 1.00 4.02 C ATOM 1392 CD1 ILE A 91 -8.430 8.136 -5.736 1.00 8.01 C ATOM 0 H ILE A 91 -11.710 9.485 -3.654 1.00 4.73 H new ATOM 0 HA ILE A 91 -10.636 9.661 -6.449 1.00 6.29 H new ATOM 0 HB ILE A 91 -11.707 7.259 -4.942 1.00 6.01 H new ATOM 0 HG12 ILE A 91 -9.609 7.950 -3.950 1.00 6.44 H new ATOM 0 HG13 ILE A 91 -9.422 6.453 -4.842 1.00 6.44 H new ATOM 0 HG21 ILE A 91 -10.748 6.037 -6.874 1.00 4.02 H new ATOM 0 HG22 ILE A 91 -11.993 7.201 -7.386 1.00 4.02 H new ATOM 0 HG23 ILE A 91 -10.269 7.588 -7.604 1.00 4.02 H new ATOM 0 HD11 ILE A 91 -7.496 7.939 -5.210 1.00 8.01 H new ATOM 0 HD12 ILE A 91 -8.386 7.692 -6.731 1.00 8.01 H new ATOM 0 HD13 ILE A 91 -8.577 9.212 -5.825 1.00 8.01 H new ATOM 1404 N PRO A 92 -13.201 9.792 -7.278 1.00 4.17 N ATOM 1405 CA PRO A 92 -14.598 9.788 -7.748 1.00 5.55 C ATOM 1406 C PRO A 92 -15.164 8.386 -7.910 1.00 4.42 C ATOM 1407 O PRO A 92 -14.391 7.427 -8.056 1.00 5.15 O ATOM 1408 CB PRO A 92 -14.554 10.521 -9.059 1.00 6.08 C ATOM 1409 CG PRO A 92 -13.196 11.175 -9.099 1.00 6.52 C ATOM 1410 CD PRO A 92 -12.327 10.192 -8.370 1.00 3.94 C ATOM 0 HA PRO A 92 -15.261 10.261 -7.024 1.00 5.55 H new ATOM 0 HB2 PRO A 92 -14.687 9.837 -9.897 1.00 6.08 H new ATOM 0 HB3 PRO A 92 -15.350 11.262 -9.123 1.00 6.08 H new ATOM 0 HG2 PRO A 92 -12.855 11.335 -10.122 1.00 6.52 H new ATOM 0 HG3 PRO A 92 -13.202 12.149 -8.609 1.00 6.52 H new ATOM 0 HD2 PRO A 92 -12.044 9.348 -8.999 1.00 3.94 H new ATOM 0 HD3 PRO A 92 -11.404 10.647 -8.012 1.00 3.94 H new ATOM 1418 N PRO A 93 -16.491 8.198 -7.995 1.00 4.82 N ATOM 1419 CA PRO A 93 -17.079 6.962 -8.509 1.00 2.73 C ATOM 1420 C PRO A 93 -16.536 6.658 -9.912 1.00 4.00 C ATOM 1421 O PRO A 93 -16.221 7.544 -10.710 1.00 2.50 O ATOM 1422 CB PRO A 93 -18.585 7.185 -8.538 1.00 4.57 C ATOM 1423 CG PRO A 93 -18.841 8.456 -7.757 1.00 2.86 C ATOM 1424 CD PRO A 93 -17.523 9.223 -7.751 1.00 3.66 C ATOM 0 HA PRO A 93 -16.828 6.106 -7.882 1.00 2.73 H new ATOM 0 HB2 PRO A 93 -18.945 7.279 -9.563 1.00 4.57 H new ATOM 0 HB3 PRO A 93 -19.112 6.342 -8.092 1.00 4.57 H new ATOM 0 HG2 PRO A 93 -19.632 9.045 -8.220 1.00 2.86 H new ATOM 0 HG3 PRO A 93 -19.165 8.230 -6.741 1.00 2.86 H new ATOM 0 HD2 PRO A 93 -17.509 9.991 -8.524 1.00 3.66 H new ATOM 0 HD3 PRO A 93 -17.363 9.727 -6.798 1.00 3.66 H new ATOM 1432 N HIS A 94 -16.377 5.353 -10.135 1.00 2.02 N ATOM 1433 CA HIS A 94 -16.031 4.764 -11.425 1.00 2.29 C ATOM 1434 C HIS A 94 -14.680 5.207 -11.952 1.00 3.54 C ATOM 1435 O HIS A 94 -14.517 5.200 -13.161 1.00 5.36 O ATOM 1436 CB HIS A 94 -17.172 5.098 -12.462 1.00 2.13 C ATOM 1437 CG HIS A 94 -18.498 4.535 -11.979 1.00 3.62 C ATOM 1438 ND1 HIS A 94 -18.836 3.259 -11.888 1.00 5.90 N ATOM 1439 CD2 HIS A 94 -19.554 5.282 -11.500 1.00 6.00 C ATOM 1440 CE1 HIS A 94 -20.044 3.214 -11.370 1.00 7.29 C ATOM 1441 NE2 HIS A 94 -20.478 4.429 -11.139 1.00 7.42 N ATOM 0 H HIS A 94 -16.489 4.657 -9.398 1.00 2.02 H new ATOM 0 HA HIS A 94 -15.949 3.687 -11.281 1.00 2.29 H new ATOM 0 HB2 HIS A 94 -17.252 6.177 -12.591 1.00 2.13 H new ATOM 0 HB3 HIS A 94 -16.923 4.678 -13.436 1.00 2.13 H new ATOM 0 HD2 HIS A 94 -19.608 6.359 -11.436 1.00 6.00 H new ATOM 0 HE1 HIS A 94 -20.597 2.309 -11.165 1.00 7.29 H new ATOM 0 HE2 HIS A 94 -21.387 4.670 -10.743 1.00 7.42 H new ATOM 1450 N ALA A 95 -13.716 5.580 -11.103 1.00 2.02 N ATOM 1451 CA ALA A 95 -12.408 6.045 -11.554 1.00 2.07 C ATOM 1452 C ALA A 95 -11.361 4.972 -11.929 1.00 2.04 C ATOM 1453 O ALA A 95 -11.185 4.031 -11.157 1.00 2.22 O ATOM 1454 CB ALA A 95 -11.828 6.900 -10.456 1.00 2.15 C ATOM 0 H ALA A 95 -13.824 5.567 -10.089 1.00 2.02 H new ATOM 0 HA ALA A 95 -12.603 6.570 -12.489 1.00 2.07 H new ATOM 0 HB1 ALA A 95 -10.847 7.266 -10.760 1.00 2.15 H new ATOM 0 HB2 ALA A 95 -12.488 7.746 -10.267 1.00 2.15 H new ATOM 0 HB3 ALA A 95 -11.729 6.307 -9.547 1.00 2.15 H new ATOM 1460 N THR A 96 -10.652 5.044 -13.068 1.00 2.15 N ATOM 1461 CA THR A 96 -9.498 4.199 -13.353 1.00 2.05 C ATOM 1462 C THR A 96 -8.304 4.833 -12.612 1.00 2.64 C ATOM 1463 O THR A 96 -8.054 6.034 -12.714 1.00 2.00 O ATOM 1464 CB THR A 96 -9.193 4.166 -14.884 1.00 3.72 C ATOM 1465 OG1 THR A 96 -10.250 3.433 -15.528 1.00 4.61 O ATOM 1466 CG2 THR A 96 -7.839 3.565 -15.184 1.00 2.33 C ATOM 0 H THR A 96 -10.872 5.699 -13.818 1.00 2.15 H new ATOM 0 HA THR A 96 -9.687 3.175 -13.031 1.00 2.05 H new ATOM 0 HB THR A 96 -9.154 5.185 -15.269 1.00 3.72 H new ATOM 0 HG1 THR A 96 -10.083 3.399 -16.493 1.00 4.61 H new ATOM 0 HG21 THR A 96 -7.672 3.564 -16.261 1.00 2.33 H new ATOM 0 HG22 THR A 96 -7.063 4.156 -14.697 1.00 2.33 H new ATOM 0 HG23 THR A 96 -7.804 2.542 -14.810 1.00 2.33 H new ATOM 1474 N LEU A 97 -7.521 4.040 -11.884 1.00 2.19 N ATOM 1475 CA LEU A 97 -6.416 4.565 -11.107 1.00 2.07 C ATOM 1476 C LEU A 97 -5.081 4.162 -11.744 1.00 2.05 C ATOM 1477 O LEU A 97 -4.964 3.114 -12.382 1.00 5.34 O ATOM 1478 CB LEU A 97 -6.565 4.023 -9.680 1.00 2.00 C ATOM 1479 CG LEU A 97 -7.838 4.397 -8.938 1.00 2.82 C ATOM 1480 CD1 LEU A 97 -7.754 3.832 -7.549 1.00 2.15 C ATOM 1481 CD2 LEU A 97 -8.028 5.926 -8.913 1.00 2.08 C ATOM 0 H LEU A 97 -7.637 3.029 -11.820 1.00 2.19 H new ATOM 0 HA LEU A 97 -6.428 5.655 -11.083 1.00 2.07 H new ATOM 0 HB2 LEU A 97 -6.502 2.936 -9.721 1.00 2.00 H new ATOM 0 HB3 LEU A 97 -5.714 4.370 -9.093 1.00 2.00 H new ATOM 0 HG LEU A 97 -8.706 3.980 -9.449 1.00 2.82 H new ATOM 0 HD11 LEU A 97 -8.658 4.088 -6.997 1.00 2.15 H new ATOM 0 HD12 LEU A 97 -7.656 2.748 -7.603 1.00 2.15 H new ATOM 0 HD13 LEU A 97 -6.886 4.250 -7.038 1.00 2.15 H new ATOM 0 HD21 LEU A 97 -8.945 6.170 -8.377 1.00 2.08 H new ATOM 0 HD22 LEU A 97 -7.179 6.390 -8.410 1.00 2.08 H new ATOM 0 HD23 LEU A 97 -8.094 6.301 -9.934 1.00 2.08 H new ATOM 1493 N VAL A 98 -4.080 5.014 -11.639 1.00 2.00 N ATOM 1494 CA VAL A 98 -2.814 4.738 -12.233 1.00 3.65 C ATOM 1495 C VAL A 98 -1.851 4.812 -11.071 1.00 2.12 C ATOM 1496 O VAL A 98 -1.803 5.824 -10.386 1.00 3.97 O ATOM 1497 CB VAL A 98 -2.490 5.793 -13.315 1.00 3.31 C ATOM 1498 CG1 VAL A 98 -1.094 5.499 -13.818 1.00 2.09 C ATOM 1499 CG2 VAL A 98 -3.462 5.726 -14.510 1.00 2.11 C ATOM 0 H VAL A 98 -4.133 5.904 -11.143 1.00 2.00 H new ATOM 0 HA VAL A 98 -2.771 3.774 -12.739 1.00 3.65 H new ATOM 0 HB VAL A 98 -2.579 6.786 -12.875 1.00 3.31 H new ATOM 0 HG11 VAL A 98 -0.824 6.223 -14.587 1.00 2.09 H new ATOM 0 HG12 VAL A 98 -0.387 5.567 -12.991 1.00 2.09 H new ATOM 0 HG13 VAL A 98 -1.063 4.494 -14.240 1.00 2.09 H new ATOM 0 HG21 VAL A 98 -3.192 6.487 -15.242 1.00 2.11 H new ATOM 0 HG22 VAL A 98 -3.403 4.741 -14.972 1.00 2.11 H new ATOM 0 HG23 VAL A 98 -4.480 5.903 -14.162 1.00 2.11 H new ATOM 1509 N PHE A 99 -1.125 3.743 -10.752 1.00 4.42 N ATOM 1510 CA PHE A 99 -0.164 3.796 -9.662 1.00 2.41 C ATOM 1511 C PHE A 99 1.250 3.569 -10.211 1.00 2.00 C ATOM 1512 O PHE A 99 1.462 2.710 -11.064 1.00 2.00 O ATOM 1513 CB PHE A 99 -0.457 2.720 -8.639 1.00 2.00 C ATOM 1514 CG PHE A 99 -1.571 3.012 -7.684 1.00 2.40 C ATOM 1515 CD1 PHE A 99 -2.882 2.652 -8.008 1.00 2.00 C ATOM 1516 CD2 PHE A 99 -1.284 3.640 -6.487 1.00 2.08 C ATOM 1517 CE1 PHE A 99 -3.884 2.932 -7.113 1.00 2.02 C ATOM 1518 CE2 PHE A 99 -2.303 3.913 -5.602 1.00 2.30 C ATOM 1519 CZ PHE A 99 -3.599 3.562 -5.914 1.00 2.48 C ATOM 0 H PHE A 99 -1.185 2.843 -11.228 1.00 4.42 H new ATOM 0 HA PHE A 99 -0.238 4.776 -9.190 1.00 2.41 H new ATOM 0 HB2 PHE A 99 -0.691 1.796 -9.169 1.00 2.00 H new ATOM 0 HB3 PHE A 99 0.450 2.536 -8.063 1.00 2.00 H new ATOM 0 HD1 PHE A 99 -3.102 2.163 -8.945 1.00 2.00 H new ATOM 0 HD2 PHE A 99 -0.267 3.915 -6.247 1.00 2.08 H new ATOM 0 HE1 PHE A 99 -4.903 2.659 -7.346 1.00 2.02 H new ATOM 0 HE2 PHE A 99 -2.087 4.402 -4.664 1.00 2.30 H new ATOM 0 HZ PHE A 99 -4.396 3.780 -5.219 1.00 2.48 H new ATOM 1529 N ASP A 100 2.205 4.343 -9.749 1.00 2.07 N ATOM 1530 CA ASP A 100 3.622 4.188 -10.063 1.00 2.05 C ATOM 1531 C ASP A 100 4.086 3.563 -8.756 1.00 2.00 C ATOM 1532 O ASP A 100 4.048 4.188 -7.704 1.00 2.00 O ATOM 1533 CB ASP A 100 4.282 5.535 -10.279 1.00 2.00 C ATOM 1534 CG ASP A 100 5.790 5.502 -10.480 1.00 2.09 C ATOM 1535 OD1 ASP A 100 6.434 4.494 -10.198 1.00 2.00 O ATOM 1536 OD2 ASP A 100 6.311 6.503 -10.945 1.00 2.00 O ATOM 0 H ASP A 100 2.019 5.126 -9.123 1.00 2.07 H new ATOM 0 HA ASP A 100 3.845 3.621 -10.967 1.00 2.05 H new ATOM 0 HB2 ASP A 100 3.827 6.007 -11.150 1.00 2.00 H new ATOM 0 HB3 ASP A 100 4.061 6.170 -9.421 1.00 2.00 H new ATOM 1541 N VAL A 101 4.483 2.307 -8.867 1.00 2.00 N ATOM 1542 CA VAL A 101 4.810 1.457 -7.727 1.00 3.03 C ATOM 1543 C VAL A 101 6.214 0.840 -7.890 1.00 2.94 C ATOM 1544 O VAL A 101 6.574 0.328 -8.959 1.00 2.23 O ATOM 1545 CB VAL A 101 3.699 0.352 -7.605 1.00 2.13 C ATOM 1546 CG1 VAL A 101 4.009 -0.617 -6.475 1.00 2.10 C ATOM 1547 CG2 VAL A 101 2.414 0.956 -7.128 1.00 3.53 C ATOM 0 H VAL A 101 4.590 1.838 -9.766 1.00 2.00 H new ATOM 0 HA VAL A 101 4.833 2.047 -6.810 1.00 3.03 H new ATOM 0 HB VAL A 101 3.646 -0.116 -8.588 1.00 2.13 H new ATOM 0 HG11 VAL A 101 3.223 -1.370 -6.415 1.00 2.10 H new ATOM 0 HG12 VAL A 101 4.965 -1.105 -6.666 1.00 2.10 H new ATOM 0 HG13 VAL A 101 4.062 -0.072 -5.533 1.00 2.10 H new ATOM 0 HG21 VAL A 101 1.654 0.179 -7.048 1.00 3.53 H new ATOM 0 HG22 VAL A 101 2.568 1.414 -6.151 1.00 3.53 H new ATOM 0 HG23 VAL A 101 2.084 1.715 -7.837 1.00 3.53 H new ATOM 1557 N GLU A 102 7.024 0.911 -6.844 1.00 2.47 N ATOM 1558 CA GLU A 102 8.344 0.347 -6.872 1.00 3.37 C ATOM 1559 C GLU A 102 8.369 -0.668 -5.765 1.00 2.00 C ATOM 1560 O GLU A 102 8.080 -0.297 -4.624 1.00 2.00 O ATOM 1561 CB GLU A 102 9.355 1.437 -6.637 1.00 5.33 C ATOM 1562 CG GLU A 102 10.767 0.847 -6.449 1.00 8.11 C ATOM 1563 CD GLU A 102 11.944 1.799 -6.665 1.00 12.60 C ATOM 1564 OE1 GLU A 102 11.843 2.997 -6.421 1.00 8.00 O ATOM 1565 OE2 GLU A 102 12.967 1.313 -7.154 1.00 14.21 O ATOM 0 H GLU A 102 6.777 1.360 -5.962 1.00 2.47 H new ATOM 0 HA GLU A 102 8.586 -0.116 -7.829 1.00 3.37 H new ATOM 0 HB2 GLU A 102 9.354 2.127 -7.481 1.00 5.33 H new ATOM 0 HB3 GLU A 102 9.077 2.013 -5.754 1.00 5.33 H new ATOM 0 HG2 GLU A 102 10.836 0.445 -5.438 1.00 8.11 H new ATOM 0 HG3 GLU A 102 10.879 0.007 -7.135 1.00 8.11 H new ATOM 1572 N LEU A 103 8.655 -1.928 -6.075 1.00 2.00 N ATOM 1573 CA LEU A 103 8.704 -2.948 -5.035 1.00 2.00 C ATOM 1574 C LEU A 103 10.144 -2.982 -4.487 1.00 2.00 C ATOM 1575 O LEU A 103 11.108 -3.413 -5.125 1.00 2.08 O ATOM 1576 CB LEU A 103 8.279 -4.307 -5.627 1.00 2.00 C ATOM 1577 CG LEU A 103 8.491 -5.532 -4.713 1.00 2.00 C ATOM 1578 CD1 LEU A 103 7.782 -5.335 -3.357 1.00 2.42 C ATOM 1579 CD2 LEU A 103 7.964 -6.784 -5.416 1.00 2.00 C ATOM 0 H LEU A 103 8.853 -2.263 -7.018 1.00 2.00 H new ATOM 0 HA LEU A 103 8.017 -2.724 -4.219 1.00 2.00 H new ATOM 0 HB2 LEU A 103 7.223 -4.253 -5.891 1.00 2.00 H new ATOM 0 HB3 LEU A 103 8.832 -4.468 -6.553 1.00 2.00 H new ATOM 0 HG LEU A 103 9.557 -5.649 -4.517 1.00 2.00 H new ATOM 0 HD11 LEU A 103 7.946 -6.211 -2.730 1.00 2.42 H new ATOM 0 HD12 LEU A 103 8.186 -4.453 -2.860 1.00 2.42 H new ATOM 0 HD13 LEU A 103 6.713 -5.201 -3.521 1.00 2.42 H new ATOM 0 HD21 LEU A 103 8.112 -7.652 -4.773 1.00 2.00 H new ATOM 0 HD22 LEU A 103 6.901 -6.664 -5.624 1.00 2.00 H new ATOM 0 HD23 LEU A 103 8.503 -6.930 -6.352 1.00 2.00 H new ATOM 1591 N LEU A 104 10.267 -2.500 -3.270 1.00 2.09 N ATOM 1592 CA LEU A 104 11.574 -2.282 -2.639 1.00 2.00 C ATOM 1593 C LEU A 104 12.171 -3.504 -1.939 1.00 2.09 C ATOM 1594 O LEU A 104 13.381 -3.818 -2.027 1.00 2.00 O ATOM 1595 CB LEU A 104 11.486 -1.120 -1.592 1.00 2.00 C ATOM 1596 CG LEU A 104 11.011 0.283 -2.041 1.00 2.23 C ATOM 1597 CD1 LEU A 104 10.885 1.273 -0.877 1.00 2.62 C ATOM 1598 CD2 LEU A 104 12.030 0.809 -3.023 1.00 2.00 C ATOM 0 H LEU A 104 9.474 -2.245 -2.682 1.00 2.09 H new ATOM 0 HA LEU A 104 12.237 -2.037 -3.469 1.00 2.00 H new ATOM 0 HB2 LEU A 104 10.820 -1.450 -0.795 1.00 2.00 H new ATOM 0 HB3 LEU A 104 12.476 -1.003 -1.152 1.00 2.00 H new ATOM 0 HG LEU A 104 10.018 0.186 -2.481 1.00 2.23 H new ATOM 0 HD11 LEU A 104 10.548 2.238 -1.255 1.00 2.62 H new ATOM 0 HD12 LEU A 104 10.162 0.895 -0.154 1.00 2.62 H new ATOM 0 HD13 LEU A 104 11.855 1.391 -0.393 1.00 2.62 H new ATOM 0 HD21 LEU A 104 11.729 1.800 -3.364 1.00 2.00 H new ATOM 0 HD22 LEU A 104 13.004 0.872 -2.538 1.00 2.00 H new ATOM 0 HD23 LEU A 104 12.093 0.135 -3.877 1.00 2.00 H new ATOM 1610 N LYS A 105 11.285 -4.186 -1.214 1.00 2.35 N ATOM 1611 CA LYS A 105 11.748 -5.196 -0.276 1.00 3.56 C ATOM 1612 C LYS A 105 10.588 -6.120 0.077 1.00 4.04 C ATOM 1613 O LYS A 105 9.447 -5.639 0.010 1.00 2.11 O ATOM 1614 CB LYS A 105 12.203 -4.458 0.934 1.00 4.70 C ATOM 1615 CG LYS A 105 12.983 -5.255 1.903 1.00 8.71 C ATOM 1616 CD LYS A 105 13.445 -4.284 2.949 1.00 8.68 C ATOM 1617 CE LYS A 105 13.994 -5.154 4.052 1.00 10.78 C ATOM 1618 NZ LYS A 105 14.225 -4.306 5.205 1.00 11.71 N ATOM 0 H LYS A 105 10.274 -4.061 -1.257 1.00 2.35 H new ATOM 0 HA LYS A 105 12.552 -5.803 -0.691 1.00 3.56 H new ATOM 0 HB2 LYS A 105 12.808 -3.609 0.616 1.00 4.70 H new ATOM 0 HB3 LYS A 105 11.328 -4.053 1.443 1.00 4.70 H new ATOM 0 HG2 LYS A 105 12.372 -6.043 2.343 1.00 8.71 H new ATOM 0 HG3 LYS A 105 13.830 -5.741 1.419 1.00 8.71 H new ATOM 0 HD2 LYS A 105 14.207 -3.611 2.557 1.00 8.68 H new ATOM 0 HD3 LYS A 105 12.623 -3.662 3.305 1.00 8.68 H new ATOM 0 HE2 LYS A 105 13.291 -5.951 4.297 1.00 10.78 H new ATOM 0 HE3 LYS A 105 14.921 -5.633 3.737 1.00 10.78 H new ATOM 0 HZ1 LYS A 105 14.984 -4.713 5.789 1.00 11.71 H new ATOM 0 HZ2 LYS A 105 14.504 -3.356 4.887 1.00 11.71 H new ATOM 0 HZ3 LYS A 105 13.353 -4.240 5.768 1.00 11.71 H new ATOM 1632 N LEU A 106 10.873 -7.381 0.462 1.00 2.84 N ATOM 1633 CA LEU A 106 9.864 -8.281 1.009 1.00 2.86 C ATOM 1634 C LEU A 106 10.354 -8.631 2.388 1.00 3.93 C ATOM 1635 O LEU A 106 11.552 -8.902 2.620 1.00 4.70 O ATOM 1636 CB LEU A 106 9.697 -9.596 0.213 1.00 2.24 C ATOM 1637 CG LEU A 106 9.193 -9.456 -1.242 1.00 2.13 C ATOM 1638 CD1 LEU A 106 9.150 -10.820 -1.861 1.00 2.04 C ATOM 1639 CD2 LEU A 106 7.794 -8.853 -1.303 1.00 4.67 C ATOM 0 H LEU A 106 11.805 -7.792 0.399 1.00 2.84 H new ATOM 0 HA LEU A 106 8.894 -7.784 0.981 1.00 2.86 H new ATOM 0 HB2 LEU A 106 10.658 -10.109 0.194 1.00 2.24 H new ATOM 0 HB3 LEU A 106 9.003 -10.239 0.755 1.00 2.24 H new ATOM 0 HG LEU A 106 9.873 -8.793 -1.777 1.00 2.13 H new ATOM 0 HD11 LEU A 106 8.796 -10.742 -2.889 1.00 2.04 H new ATOM 0 HD12 LEU A 106 10.149 -11.255 -1.853 1.00 2.04 H new ATOM 0 HD13 LEU A 106 8.473 -11.457 -1.292 1.00 2.04 H new ATOM 0 HD21 LEU A 106 7.478 -8.772 -2.343 1.00 4.67 H new ATOM 0 HD22 LEU A 106 7.098 -9.493 -0.761 1.00 4.67 H new ATOM 0 HD23 LEU A 106 7.805 -7.862 -0.849 1.00 4.67 H new ATOM 1651 N GLU A 107 9.430 -8.542 3.312 1.00 6.38 N ATOM 1652 CA GLU A 107 9.700 -8.835 4.711 1.00 9.00 C ATOM 1653 C GLU A 107 8.727 -9.902 5.218 1.00 10.52 C ATOM 1654 O GLU A 107 7.863 -10.344 4.438 1.00 10.53 O ATOM 1655 CB GLU A 107 9.521 -7.580 5.543 1.00 7.90 C ATOM 1656 CG GLU A 107 10.452 -6.459 5.177 1.00 9.88 C ATOM 1657 CD GLU A 107 10.310 -5.252 6.085 1.00 12.12 C ATOM 1658 OE1 GLU A 107 9.212 -4.966 6.585 1.00 13.02 O ATOM 1659 OE2 GLU A 107 11.314 -4.568 6.277 1.00 12.10 O ATOM 1660 OXT GLU A 107 8.803 -10.230 6.404 1.00 11.27 O ATOM 0 H GLU A 107 8.467 -8.265 3.123 1.00 6.38 H new ATOM 0 HA GLU A 107 10.724 -9.197 4.800 1.00 9.00 H new ATOM 0 HB2 GLU A 107 8.493 -7.232 5.439 1.00 7.90 H new ATOM 0 HB3 GLU A 107 9.668 -7.830 6.594 1.00 7.90 H new ATOM 0 HG2 GLU A 107 11.480 -6.819 5.218 1.00 9.88 H new ATOM 0 HG3 GLU A 107 10.261 -6.157 4.147 1.00 9.88 H new TER 1667 GLU A 107 HETATM 1668 C2 GPI A 108 -4.027 1.637 -0.331 1.00 0.00 C HETATM 1669 N6 GPI A 108 -3.960 3.141 -0.055 1.00 0.00 N HETATM 1670 C5 GPI A 108 -2.866 3.653 -1.009 1.00 0.00 C HETATM 1671 C3 GPI A 108 -2.606 1.233 -0.670 1.00 0.00 C HETATM 1672 C4 GPI A 108 -1.998 2.440 -1.371 1.00 0.00 C HETATM 1673 C1 GPI A 108 -4.483 0.894 0.935 1.00 0.00 C HETATM 1674 O1 GPI A 108 -3.959 1.143 2.019 1.00 0.00 O HETATM 1675 O2 GPI A 108 -5.468 -0.045 0.853 1.00 0.00 O HETATM 1676 C14 GPI A 108 -6.733 0.533 1.196 1.00 0.00 C HETATM 1677 C15 GPI A 108 -6.917 0.505 2.720 1.00 0.00 C HETATM 1678 C16 GPI A 108 -7.885 1.624 3.130 1.00 0.00 C HETATM 1679 N19 GPI A 108 -11.234 2.250 1.338 1.00 0.00 N HETATM 1680 C20 GPI A 108 -11.774 0.948 1.263 1.00 0.00 C HETATM 1681 C21 GPI A 108 -11.051 -0.138 1.794 1.00 0.00 C HETATM 1682 C22 GPI A 108 -9.793 0.084 2.396 1.00 0.00 C HETATM 1683 C17 GPI A 108 -9.256 1.389 2.472 1.00 0.00 C HETATM 1684 C18 GPI A 108 -9.979 2.474 1.941 1.00 0.00 C HETATM 1685 C7 GPI A 108 -4.676 3.840 0.801 1.00 0.00 C HETATM 1686 O7 GPI A 108 -5.520 3.282 1.500 1.00 0.00 O HETATM 1687 C8 GPI A 108 -4.460 5.359 0.924 1.00 0.00 C HETATM 1688 O8 GPI A 108 -3.467 5.795 1.503 1.00 0.00 O HETATM 1689 C9 GPI A 108 -5.490 6.330 0.322 1.00 0.00 C HETATM 1690 C12 GPI A 108 -6.904 5.934 0.786 1.00 0.00 C HETATM 1691 C13 GPI A 108 -5.420 6.271 -1.214 1.00 0.00 C HETATM 1692 C10 GPI A 108 -5.182 7.764 0.792 1.00 0.00 C HETATM 1693 C11 GPI A 108 -6.201 8.738 0.174 1.00 0.00 C HETATM 0 H162 GPI A 108 -7.990 1.648 4.215 1.00 0.00 H new HETATM 0 H161 GPI A 108 -7.486 2.592 2.827 1.00 0.00 H new HETATM 0 H152 GPI A 108 -7.307 -0.463 3.034 1.00 0.00 H new HETATM 0 H151 GPI A 108 -5.956 0.638 3.217 1.00 0.00 H new HETATM 0 H142 GPI A 108 -6.786 1.559 0.832 1.00 0.00 H new HETATM 0 H141 GPI A 108 -7.539 -0.019 0.712 1.00 0.00 H new HETATM 0 H133 GPI A 108 -4.420 6.554 -1.544 1.00 0.00 H new HETATM 0 H132 GPI A 108 -5.639 5.257 -1.550 1.00 0.00 H new HETATM 0 H131 GPI A 108 -6.151 6.960 -1.638 1.00 0.00 H new HETATM 0 H123 GPI A 108 -7.125 4.920 0.454 1.00 0.00 H new HETATM 0 H122 GPI A 108 -6.956 5.979 1.874 1.00 0.00 H new HETATM 0 H121 GPI A 108 -7.633 6.623 0.359 1.00 0.00 H new HETATM 0 H113 GPI A 108 -6.136 8.691 -0.913 1.00 0.00 H new HETATM 0 H112 GPI A 108 -7.207 8.461 0.490 1.00 0.00 H new HETATM 0 H111 GPI A 108 -5.983 9.753 0.507 1.00 0.00 H new HETATM 0 H102 GPI A 108 -5.225 7.818 1.880 1.00 0.00 H new HETATM 0 H101 GPI A 108 -4.171 8.045 0.498 1.00 0.00 H new HETATM 0 H52 GPI A 108 -3.307 4.095 -1.903 1.00 0.00 H new HETATM 0 H51 GPI A 108 -2.268 4.429 -0.532 1.00 0.00 H new HETATM 0 H42 GPI A 108 -1.977 2.289 -2.450 1.00 0.00 H new HETATM 0 H41 GPI A 108 -0.968 2.594 -1.050 1.00 0.00 H new HETATM 0 H32 GPI A 108 -2.045 0.977 0.229 1.00 0.00 H new HETATM 0 H31 GPI A 108 -2.591 0.355 -1.316 1.00 0.00 H new HETATM 0 H22 GPI A 108 -9.232 -0.757 2.805 1.00 0.00 H new HETATM 0 H21 GPI A 108 -11.461 -1.146 1.740 1.00 0.00 H new HETATM 0 H20 GPI A 108 -12.745 0.784 0.797 1.00 0.00 H new HETATM 0 H2 GPI A 108 -4.728 1.399 -1.130 1.00 0.00 H new HETATM 0 H18 GPI A 108 -9.570 3.483 1.996 1.00 0.00 H new