USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot -92:sc= 0.191 USER MOD Set 1.2: A 67 SER OG : rot -140:sc= 0.0657 USER MOD Set 1.3: A 70 GLN : amide:sc= -2.84! K(o=-2.6!,f=0.24) USER MOD Set 2.1: A 25 HIS : no HD1:sc= 0.644 K(o=2.4,f=-6.6!) USER MOD Set 2.2: A 39 SER OG : rot 92:sc= 1.74 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= 0.715 USER MOD Set 4.1: A 1 GLY N :NH3+ -168:sc= 0.894 (180deg=0.00224) USER MOD Set 4.2: A 77 SER OG : rot 138:sc= 1.94 USER MOD Single : A 3 GLN : amide:sc= -1.68! 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 88:sc= 1.25 USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0.697 (180deg=0.696) USER MOD Single : A 20 GLN : amide:sc= 0.318 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= 1.39 USER MOD Single : A 29 MET CE :methyl -113:sc= -0.0233 (180deg=-0.253) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -0.165 (180deg=-0.809) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= 0.589 (180deg=0.456) USER MOD Single : A 43 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.21) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.103) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0.245 (180deg=0.0545) USER MOD Single : A 49 MET CE :methyl -160:sc= -0.492 (180deg=-1.47!) USER MOD Single : A 52 LYS NZ :NH3+ 156:sc= 0.0529 (180deg=0.00488) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 65 GLN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD Single : A 66 MET CE :methyl 140:sc= -0.0903 (180deg=-0.539) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0.0389 (180deg=0.0265) USER MOD Single : A 75 THR OG1 : rot 91:sc= 0.786 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= -0.208 K(o=-0.21,f=-1) USER MOD Single : A 94 HIS : no HD1:sc=-0.00447 X(o=-0.0045,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -153:sc= 0.246 (180deg=0.0553) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.464 -5.053 -15.083 1.00 6.24 N ATOM 2 CA GLY A 1 -8.313 -5.797 -14.588 1.00 5.48 C ATOM 3 C GLY A 1 -7.282 -4.751 -14.176 1.00 6.33 C ATOM 4 O GLY A 1 -7.666 -3.601 -13.963 1.00 5.75 O ATOM 0 H1 GLY A 1 -10.274 -5.697 -15.189 1.00 6.24 H new ATOM 0 H2 GLY A 1 -9.706 -4.299 -14.409 1.00 6.24 H new ATOM 0 H3 GLY A 1 -9.234 -4.631 -16.005 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 -7.914 -6.456 -15.359 1.00 5.48 H new ATOM 10 N VAL A 2 -6.012 -5.158 -14.102 1.00 5.47 N ATOM 11 CA VAL A 2 -4.866 -4.304 -13.809 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 -3.890 -5.737 -15.514 1.00 5.81 O ATOM 14 CB VAL A 2 -4.307 -4.689 -12.396 1.00 3.49 C ATOM 15 CG1 VAL A 2 -4.107 -6.188 -12.267 1.00 4.13 C ATOM 16 CG2 VAL A 2 -2.957 -4.008 -12.170 1.00 6.35 C ATOM 0 H VAL A 2 -5.747 -6.132 -14.251 1.00 5.47 H new ATOM 0 HA VAL A 2 -5.054 -3.232 -13.745 1.00 4.13 H new ATOM 0 HB VAL A 2 -5.036 -4.360 -11.655 1.00 3.49 H new ATOM 0 HG11 VAL A 2 -3.719 -6.419 -11.275 1.00 4.13 H new ATOM 0 HG12 VAL A 2 -5.061 -6.696 -12.411 1.00 4.13 H new ATOM 0 HG13 VAL A 2 -3.398 -6.527 -13.022 1.00 4.13 H new ATOM 0 HG21 VAL A 2 -2.573 -4.279 -11.187 1.00 6.35 H new ATOM 0 HG22 VAL A 2 -2.253 -4.332 -12.936 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 -3.254 -3.620 -15.448 1.00 4.31 N ATOM 27 CA GLN A 3 -2.297 -3.705 -16.527 1.00 5.50 C ATOM 28 C GLN A 3 -0.982 -3.301 -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 -2.732 -2.708 -17.510 1.00 7.13 C ATOM 31 CG GLN A 3 -1.782 -2.416 -18.617 1.00 11.82 C ATOM 32 CD GLN A 3 -2.422 -1.325 -19.437 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 -0.191 -19.655 1.00 16.20 N ATOM 0 H GLN A 3 -3.353 -2.674 -15.080 1.00 4.31 H new ATOM 0 HA GLN A 3 -2.199 -4.669 -17.026 1.00 5.50 H new ATOM 0 HB2 GLN A 3 -3.672 -3.045 -17.946 1.00 7.13 H new ATOM 0 HB3 GLN A 3 -2.941 -1.777 -16.983 1.00 7.13 H new ATOM 0 HG2 GLN A 3 -0.816 -2.095 -18.228 1.00 11.82 H new ATOM 0 HG3 GLN A 3 -1.603 -3.305 -19.222 1.00 11.82 H new ATOM 0 HE21 GLN A 3 -0.819 -0.072 -19.291 1.00 16.20 H new ATOM 0 HE22 GLN A 3 -2.205 0.560 -20.186 1.00 16.20 H new ATOM 43 N VAL A 4 0.093 -4.056 -15.997 1.00 5.58 N ATOM 44 CA VAL A 4 1.372 -3.822 -15.328 1.00 3.08 C ATOM 45 C VAL A 4 2.301 -3.361 -16.468 1.00 3.85 C ATOM 46 O VAL A 4 2.464 -4.070 -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 -14.095 1.00 2.05 C ATOM 49 CG2 VAL A 4 0.944 -5.730 -13.559 1.00 2.28 C ATOM 0 H VAL A 4 0.105 -4.876 -16.604 1.00 5.58 H new ATOM 0 HA VAL A 4 1.320 -3.090 -14.522 1.00 3.08 H new ATOM 0 HB VAL A 4 1.905 -5.938 -15.454 1.00 2.68 H new ATOM 0 HG11 VAL A 4 3.652 -5.842 -13.639 1.00 2.05 H new ATOM 0 HG12 VAL A 4 3.951 -4.614 -14.892 1.00 2.05 H new ATOM 0 HG13 VAL A 4 3.219 -4.142 -13.340 1.00 2.05 H new ATOM 0 HG21 VAL A 4 1.358 -6.655 -13.158 1.00 2.28 H new ATOM 0 HG22 VAL A 4 0.857 -4.995 -12.759 1.00 2.28 H new ATOM 0 HG23 VAL A 4 -0.042 -5.926 -13.980 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 3.748 -1.705 -17.485 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 3.233 -0.451 -18.200 1.00 5.96 C ATOM 64 CG GLU A 5 1.702 -0.538 -18.511 1.00 12.28 C ATOM 65 CD GLU A 5 0.885 0.658 -17.976 1.00 12.80 C ATOM 66 OE1 GLU A 5 0.965 1.681 -18.661 1.00 11.78 O ATOM 67 OE2 GLU A 5 0.193 0.565 -16.928 1.00 10.77 O ATOM 0 H GLU A 5 2.630 -1.450 -15.728 1.00 2.00 H new ATOM 0 HA GLU A 5 3.876 -2.471 -18.250 1.00 3.34 H new ATOM 0 HB2 GLU A 5 3.428 0.425 -17.581 1.00 5.96 H new ATOM 0 HB3 GLU A 5 3.784 -0.312 -19.130 1.00 5.96 H new ATOM 0 HG2 GLU A 5 1.564 -0.606 -19.590 1.00 12.28 H new ATOM 0 HG3 GLU A 5 1.306 -1.458 -18.080 1.00 12.28 H new ATOM 74 N THR A 6 6.168 -1.946 -17.097 1.00 2.69 N ATOM 75 CA THR A 6 7.427 -1.700 -16.391 1.00 2.32 C ATOM 76 C THR A 6 8.102 -0.340 -16.682 1.00 2.06 C ATOM 77 O THR A 6 8.132 0.150 -17.810 1.00 2.01 O ATOM 78 CB THR A 6 8.333 -2.889 -16.755 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 9.706 -2.780 -16.121 1.00 2.00 C ATOM 0 H THR A 6 6.254 -2.595 -17.879 1.00 2.69 H new ATOM 0 HA THR A 6 7.232 -1.628 -15.321 1.00 2.32 H new ATOM 0 HB THR A 6 8.555 -2.908 -17.822 1.00 3.24 H new ATOM 0 HG1 THR A 6 7.836 -4.348 -15.489 1.00 2.71 H new ATOM 0 HG21 THR A 6 10.308 -3.642 -16.407 1.00 2.00 H new ATOM 0 HG22 THR A 6 10.193 -1.867 -16.463 1.00 2.00 H new ATOM 0 HG23 THR A 6 9.605 -2.752 -15.036 1.00 2.00 H new ATOM 88 N ILE A 7 8.650 0.284 -15.641 1.00 2.06 N ATOM 89 CA ILE A 7 9.485 1.492 -15.701 1.00 3.36 C ATOM 90 C ILE A 7 10.946 1.006 -15.555 1.00 3.28 C ATOM 91 O ILE A 7 11.794 1.312 -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 7.618 2.854 -14.789 1.00 2.08 C ATOM 94 CG2 ILE A 7 9.962 3.739 -14.452 1.00 2.00 C ATOM 95 CD1 ILE A 7 6.961 3.704 -13.688 1.00 4.79 C ATOM 0 H ILE A 7 8.521 -0.051 -14.686 1.00 2.06 H new ATOM 0 HA ILE A 7 9.360 2.042 -16.634 1.00 3.36 H new ATOM 0 HB ILE A 7 9.218 1.953 -13.587 1.00 2.81 H new ATOM 0 HG12 ILE A 7 7.563 3.403 -15.729 1.00 2.08 H new ATOM 0 HG13 ILE A 7 7.034 1.943 -14.917 1.00 2.08 H new ATOM 0 HG21 ILE A 7 9.621 4.363 -13.626 1.00 2.00 H new ATOM 0 HG22 ILE A 7 11.000 3.451 -14.285 1.00 2.00 H new ATOM 0 HG23 ILE A 7 9.886 4.299 -15.384 1.00 2.00 H new ATOM 0 HD11 ILE A 7 5.930 3.924 -13.965 1.00 4.79 H new ATOM 0 HD12 ILE A 7 6.975 3.154 -12.747 1.00 4.79 H new ATOM 0 HD13 ILE A 7 7.512 4.637 -13.571 1.00 4.79 H new ATOM 107 N SER A 8 11.285 0.210 -14.532 1.00 2.13 N ATOM 108 CA SER A 8 12.632 -0.323 -14.370 1.00 5.82 C ATOM 109 C SER A 8 12.467 -1.776 -13.922 1.00 3.98 C ATOM 110 O SER A 8 11.548 -2.092 -13.147 1.00 2.39 O ATOM 111 CB SER A 8 13.423 0.397 -13.282 1.00 4.18 C ATOM 112 OG SER A 8 13.399 1.784 -13.608 1.00 11.59 O ATOM 0 H SER A 8 10.634 -0.077 -13.801 1.00 2.13 H new ATOM 0 HA SER A 8 13.171 -0.205 -15.310 1.00 5.82 H new ATOM 0 HB2 SER A 8 12.980 0.222 -12.302 1.00 4.18 H new ATOM 0 HB3 SER A 8 14.447 0.027 -13.239 1.00 4.18 H new ATOM 0 HG SER A 8 13.897 2.288 -12.931 1.00 11.59 H new ATOM 118 N PRO A 9 13.286 -2.677 -14.456 1.00 4.08 N ATOM 119 CA PRO A 9 13.197 -4.116 -14.183 1.00 2.14 C ATOM 120 C PRO A 9 13.558 -4.451 -12.745 1.00 2.33 C ATOM 121 O PRO A 9 14.323 -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 -3.676 -16.211 1.00 4.55 C ATOM 124 CD PRO A 9 14.315 -2.377 -15.445 1.00 3.80 C ATOM 0 HA PRO A 9 12.181 -4.495 -14.295 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 -3.812 -16.746 1.00 4.55 H new ATOM 0 HG3 PRO A 9 13.531 -3.705 -16.955 1.00 4.55 H new ATOM 0 HD2 PRO A 9 15.279 -2.153 -14.989 1.00 3.80 H new ATOM 0 HD3 PRO A 9 14.054 -1.525 -16.073 1.00 3.80 H new ATOM 132 N GLY A 10 13.026 -5.571 -12.276 1.00 2.00 N ATOM 133 CA GLY A 10 13.307 -6.125 -10.964 1.00 2.00 C ATOM 134 C GLY A 10 14.344 -7.250 -11.103 1.00 2.00 C ATOM 135 O GLY A 10 15.015 -7.345 -12.132 1.00 2.00 O ATOM 0 H GLY A 10 12.368 -6.134 -12.816 1.00 2.00 H new ATOM 0 HA2 GLY A 10 13.684 -5.347 -10.300 1.00 2.00 H new ATOM 0 HA3 GLY A 10 12.392 -6.511 -10.515 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 -9.184 -10.353 1.00 2.83 C ATOM 141 C ASP A 11 15.127 -10.356 -11.232 1.00 2.73 C ATOM 142 O ASP A 11 15.896 -11.270 -11.560 1.00 2.14 O ATOM 143 CB ASP A 11 16.060 -9.727 -8.990 1.00 2.14 C ATOM 144 CG ASP A 11 15.050 -10.536 -8.191 1.00 2.06 C ATOM 145 OD1 ASP A 11 13.887 -10.618 -8.546 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 13.991 -8.242 -9.296 1.00 2.00 H new ATOM 0 HA ASP A 11 16.390 -8.679 -10.870 1.00 2.83 H new ATOM 0 HB2 ASP A 11 16.938 -10.349 -9.163 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 -10.393 -11.534 1.00 2.91 N ATOM 152 CA GLY A 12 13.263 -11.490 -12.327 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 -9.687 -11.246 1.00 2.91 H new ATOM 0 HA2 GLY A 12 12.272 -11.203 -12.678 1.00 3.38 H new ATOM 0 HA3 GLY A 12 13.883 -11.640 -13.211 1.00 3.38 H new ATOM 158 N ARG A 13 13.361 -12.882 -10.265 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 -14.117 -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 14.705 -14.729 -9.312 1.00 8.46 C ATOM 163 CG ARG A 13 15.800 -14.464 -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 -16.355 -10.381 1.00 23.58 N ATOM 166 CZ ARG A 13 18.049 -16.734 -11.472 1.00 25.35 C ATOM 167 NH1 ARG A 13 18.706 -15.842 -12.233 1.00 26.59 N ATOM 168 NH2 ARG A 13 18.126 -18.034 -11.780 1.00 25.67 N ATOM 0 H ARG A 13 13.581 -12.089 -9.662 1.00 3.67 H new ATOM 0 HA ARG A 13 12.706 -14.807 -10.250 1.00 3.74 H new ATOM 0 HB2 ARG A 13 15.049 -14.324 -8.360 1.00 8.46 H new ATOM 0 HB3 ARG A 13 14.619 -15.808 -9.187 1.00 8.46 H new ATOM 0 HG2 ARG A 13 15.502 -14.940 -11.292 1.00 13.37 H new ATOM 0 HG3 ARG A 13 15.841 -13.391 -10.546 1.00 13.37 H new ATOM 0 HD2 ARG A 13 17.957 -14.343 -10.525 1.00 17.99 H new ATOM 0 HD3 ARG A 13 17.394 -14.821 -8.935 1.00 17.99 H new ATOM 0 HE ARG A 13 16.893 -17.068 -9.807 1.00 23.58 H new ATOM 0 HH11 ARG A 13 18.681 -14.851 -11.994 1.00 26.59 H new ATOM 0 HH12 ARG A 13 19.230 -16.156 -13.050 1.00 26.59 H new ATOM 0 HH21 ARG A 13 17.657 -18.725 -11.195 1.00 25.67 H new ATOM 0 HH22 ARG A 13 18.654 -18.334 -12.600 1.00 25.67 H new ATOM 182 N THR A 14 12.503 -12.984 -7.517 1.00 2.21 N ATOM 183 CA THR A 14 11.889 -12.893 -6.178 1.00 2.87 C ATOM 184 C THR A 14 10.553 -12.166 -6.278 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 14.108 -12.625 -5.508 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 12.895 -12.102 -7.848 1.00 2.21 H new ATOM 0 HA THR A 14 11.734 -13.902 -5.796 1.00 2.87 H new ATOM 0 HB THR A 14 12.643 -11.052 -5.339 1.00 2.06 H new ATOM 0 HG1 THR A 14 14.504 -12.094 -6.230 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 -12.003 -3.433 1.00 2.06 H new ATOM 0 HG23 THR A 14 12.766 -13.363 -3.456 1.00 2.06 H new ATOM 196 N PHE A 15 9.492 -12.978 -6.418 1.00 2.37 N ATOM 197 CA PHE A 15 8.120 -12.463 -6.533 1.00 3.88 C ATOM 198 C PHE A 15 7.373 -12.671 -5.209 1.00 2.49 C ATOM 199 O PHE A 15 7.667 -13.650 -4.488 1.00 3.42 O ATOM 200 CB PHE A 15 7.405 -13.176 -7.658 1.00 2.61 C ATOM 201 CG PHE A 15 8.044 -12.971 -9.035 1.00 4.70 C ATOM 202 CD1 PHE A 15 7.678 -11.893 -9.807 1.00 2.42 C ATOM 203 CD2 PHE A 15 8.994 -13.874 -9.523 1.00 3.62 C ATOM 204 CE1 PHE A 15 8.244 -11.709 -11.048 1.00 4.21 C ATOM 205 CE2 PHE A 15 9.538 -13.665 -10.771 1.00 2.04 C ATOM 206 CZ PHE A 15 9.165 -12.593 -11.527 1.00 3.90 C ATOM 0 H PHE A 15 9.560 -13.995 -6.454 1.00 2.37 H new ATOM 0 HA PHE A 15 8.150 -11.396 -6.752 1.00 3.88 H new ATOM 0 HB2 PHE A 15 7.377 -14.243 -7.438 1.00 2.61 H new ATOM 0 HB3 PHE A 15 6.372 -12.831 -7.694 1.00 2.61 H new ATOM 0 HD1 PHE A 15 6.945 -11.190 -9.439 1.00 2.42 H new ATOM 0 HD2 PHE A 15 9.297 -14.724 -8.929 1.00 3.62 H new ATOM 0 HE1 PHE A 15 7.956 -10.858 -11.647 1.00 4.21 H new ATOM 0 HE2 PHE A 15 10.270 -14.360 -11.156 1.00 2.04 H new ATOM 0 HZ PHE A 15 9.599 -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 5.869 -11.808 -3.471 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 5.236 -10.429 -3.291 1.00 2.17 C ATOM 221 CG PRO A 16 5.170 -9.814 -4.696 1.00 2.94 C ATOM 222 CD PRO A 16 6.370 -10.401 -5.371 1.00 2.00 C ATOM 0 HA PRO A 16 6.555 -12.022 -2.651 1.00 2.01 H new ATOM 0 HB2 PRO A 16 4.242 -10.509 -2.852 1.00 2.17 H new ATOM 0 HB3 PRO A 16 5.832 -9.810 -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 5.216 -8.725 -4.664 1.00 2.94 H new ATOM 0 HD2 PRO A 16 6.228 -10.461 -6.450 1.00 2.00 H new ATOM 0 HD3 PRO A 16 7.258 -9.792 -5.200 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 -14.661 -1.996 1.00 2.82 C ATOM 232 C LYS A 17 2.950 -14.256 -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 4.798 -15.842 -1.521 1.00 6.99 C ATOM 235 CG LYS A 17 5.852 -16.214 -2.566 1.00 10.61 C ATOM 236 CD LYS A 17 5.164 -17.115 -3.584 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 -5.667 1.00 15.96 N ATOM 0 H LYS A 17 5.287 -13.205 -1.426 1.00 2.05 H new ATOM 0 HA LYS A 17 3.377 -14.968 -2.890 1.00 2.82 H new ATOM 0 HB2 LYS A 17 5.290 -15.577 -0.585 1.00 6.99 H new ATOM 0 HB3 LYS A 17 4.167 -16.707 -1.316 1.00 6.99 H new ATOM 0 HG2 LYS A 17 6.251 -15.321 -3.047 1.00 10.61 H new ATOM 0 HG3 LYS A 17 6.693 -16.728 -2.101 1.00 10.61 H new ATOM 0 HD2 LYS A 17 5.425 -18.148 -3.353 1.00 14.13 H new ATOM 0 HD3 LYS A 17 4.087 -17.020 -3.447 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 -6.663 1.00 15.96 H new ATOM 0 HZ2 LYS A 17 3.557 -16.404 -5.613 1.00 15.96 H new ATOM 0 HZ3 LYS A 17 4.493 -15.064 -5.154 1.00 15.96 H new ATOM 252 N ARG A 18 1.796 -14.924 -0.853 1.00 3.00 N ATOM 253 CA ARG A 18 0.818 -14.730 0.194 1.00 3.17 C ATOM 254 C ARG A 18 1.425 -14.851 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 -15.746 0.073 1.00 2.35 C ATOM 257 CG ARG A 18 -1.550 -15.271 0.824 1.00 4.98 C ATOM 258 CD ARG A 18 -2.618 -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 -2.715 -18.623 2.128 1.00 11.69 C ATOM 261 NH1 ARG A 18 -4.062 -18.659 2.279 1.00 8.81 N ATOM 262 NH2 ARG A 18 -1.957 -19.656 2.516 1.00 11.68 N ATOM 0 H ARG A 18 1.521 -15.621 -1.545 1.00 3.00 H new ATOM 0 HA ARG A 18 0.439 -13.716 0.064 1.00 3.17 H new ATOM 0 HB2 ARG A 18 -0.547 -15.904 -0.978 1.00 2.35 H new ATOM 0 HB3 ARG A 18 0.022 -16.706 0.473 1.00 2.35 H new ATOM 0 HG2 ARG A 18 -1.236 -14.853 1.780 1.00 4.98 H new ATOM 0 HG3 ARG A 18 -2.005 -14.460 0.256 1.00 4.98 H new ATOM 0 HD2 ARG A 18 -3.345 -15.945 1.804 1.00 7.29 H new ATOM 0 HD3 ARG A 18 -3.159 -16.542 0.167 1.00 7.29 H new ATOM 0 HE ARG A 18 -1.024 -17.645 1.574 1.00 11.65 H new ATOM 0 HH11 ARG A 18 -4.629 -17.860 1.993 1.00 8.81 H new ATOM 0 HH12 ARG A 18 -4.509 -19.485 2.678 1.00 8.81 H new ATOM 0 HH21 ARG A 18 -0.943 -19.613 2.410 1.00 11.68 H new ATOM 0 HH22 ARG A 18 -2.393 -20.486 2.917 1.00 11.68 H new ATOM 276 N GLY A 19 1.138 -13.873 2.443 1.00 3.63 N ATOM 277 CA GLY A 19 1.675 -13.862 3.759 1.00 3.22 C ATOM 278 C GLY A 19 2.939 -13.037 3.871 1.00 2.00 C ATOM 279 O GLY A 19 3.336 -12.718 4.999 1.00 2.09 O ATOM 0 H GLY A 19 0.535 -13.082 2.218 1.00 3.63 H new ATOM 0 HA2 GLY A 19 0.928 -13.468 4.448 1.00 3.22 H new ATOM 0 HA3 GLY A 19 1.886 -14.886 4.069 1.00 3.22 H new ATOM 283 N GLN A 20 3.573 -12.658 2.789 1.00 2.68 N ATOM 284 CA GLN A 20 4.723 -11.773 2.868 1.00 2.00 C ATOM 285 C GLN A 20 4.328 -10.318 2.886 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 5.667 -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 7.409 -13.513 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 8.677 -13.658 0.964 1.00 4.69 N ATOM 0 H GLN A 20 3.318 -12.944 1.844 1.00 2.68 H new ATOM 0 HA GLN A 20 5.219 -12.035 3.802 1.00 2.00 H new ATOM 0 HB2 GLN A 20 5.111 -11.853 0.756 1.00 3.16 H new ATOM 0 HB3 GLN A 20 6.428 -11.186 1.700 1.00 3.16 H new ATOM 0 HG2 GLN A 20 6.827 -13.517 2.684 1.00 2.12 H new ATOM 0 HG3 GLN A 20 5.603 -14.142 1.596 1.00 2.12 H new ATOM 0 HE21 GLN A 20 8.931 -13.725 1.950 1.00 4.69 H new ATOM 0 HE22 GLN A 20 9.401 -13.703 0.247 1.00 4.69 H new ATOM 300 N THR A 21 5.158 -9.531 3.564 1.00 2.00 N ATOM 301 CA THR A 21 4.993 -8.082 3.584 1.00 2.11 C ATOM 302 C THR A 21 5.765 -7.404 2.436 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 4.571 -8.109 5.908 1.00 2.00 O ATOM 306 CG2 THR A 21 5.480 -5.985 5.020 1.00 2.03 C ATOM 0 H THR A 21 5.951 -9.873 4.107 1.00 2.00 H new ATOM 0 HA THR A 21 3.934 -7.863 3.447 1.00 2.11 H new ATOM 0 HB THR A 21 6.514 -7.788 5.104 1.00 2.03 H new ATOM 0 HG1 THR A 21 4.815 -7.799 6.805 1.00 2.00 H new ATOM 0 HG21 THR A 21 5.830 -5.678 6.006 1.00 2.03 H new ATOM 0 HG22 THR A 21 6.146 -5.582 4.257 1.00 2.03 H new ATOM 0 HG23 THR A 21 4.471 -5.605 4.858 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 5.616 -5.928 0.488 1.00 2.88 C ATOM 316 C CYS A 22 5.856 -4.491 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 -7.543 -1.308 1.00 3.26 S ATOM 0 H CYS A 22 4.010 -6.627 1.626 1.00 2.00 H new ATOM 0 HA CYS A 22 6.558 -6.407 0.222 1.00 2.88 H new ATOM 0 HB2 CYS A 22 3.819 -5.329 -0.499 1.00 2.17 H new ATOM 0 HB3 CYS A 22 5.224 -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 -4.005 0.682 1.00 2.00 N ATOM 326 CA VAL A 23 7.499 -2.695 1.144 1.00 2.00 C ATOM 327 C VAL A 23 7.613 -1.936 -0.158 1.00 2.00 C ATOM 328 O VAL A 23 8.466 -2.283 -1.001 1.00 2.00 O ATOM 329 CB VAL A 23 8.897 -2.836 1.881 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 7.757 -4.511 0.146 1.00 2.00 H new ATOM 0 HA VAL A 23 6.843 -2.206 1.864 1.00 2.00 H new ATOM 0 HB VAL A 23 9.638 -3.165 1.152 1.00 2.16 H new ATOM 0 HG11 VAL A 23 10.316 -1.618 2.950 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 9.756 -3.965 3.500 1.00 2.02 H new ATOM 0 HG22 VAL A 23 8.037 -3.558 3.718 1.00 2.02 H new ATOM 0 HG23 VAL A 23 8.511 -4.837 2.574 1.00 2.02 H new ATOM 341 N VAL A 24 6.750 -0.946 -0.401 1.00 2.00 N ATOM 342 CA VAL A 24 6.722 -0.315 -1.704 1.00 2.26 C ATOM 343 C VAL A 24 6.789 1.198 -1.611 1.00 2.04 C ATOM 344 O VAL A 24 6.403 1.809 -0.604 1.00 2.00 O ATOM 345 CB VAL A 24 5.411 -0.665 -2.536 1.00 2.63 C ATOM 346 CG1 VAL A 24 5.254 -2.170 -2.727 1.00 3.59 C ATOM 347 CG2 VAL A 24 4.156 -0.122 -1.808 1.00 2.08 C ATOM 0 H VAL A 24 6.081 -0.578 0.275 1.00 2.00 H new ATOM 0 HA VAL A 24 7.602 -0.710 -2.212 1.00 2.26 H new ATOM 0 HB VAL A 24 5.512 -0.195 -3.514 1.00 2.63 H new ATOM 0 HG11 VAL A 24 4.348 -2.372 -3.299 1.00 3.59 H new ATOM 0 HG12 VAL A 24 6.118 -2.561 -3.265 1.00 3.59 H new ATOM 0 HG13 VAL A 24 5.183 -2.655 -1.753 1.00 3.59 H new ATOM 0 HG21 VAL A 24 3.265 -0.367 -2.386 1.00 2.08 H new ATOM 0 HG22 VAL A 24 4.084 -0.576 -0.820 1.00 2.08 H new ATOM 0 HG23 VAL A 24 4.235 0.960 -1.705 1.00 2.08 H new ATOM 357 N HIS A 25 7.285 1.843 -2.663 1.00 3.13 N ATOM 358 CA HIS A 25 7.048 3.264 -2.734 1.00 2.12 C ATOM 359 C HIS A 25 5.979 3.437 -3.790 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 8.329 4.056 -3.109 1.00 2.00 C ATOM 362 CG HIS A 25 8.786 4.885 -1.900 1.00 2.20 C ATOM 363 ND1 HIS A 25 8.060 5.446 -0.945 1.00 2.09 N ATOM 364 CD2 HIS A 25 10.087 5.136 -1.559 1.00 2.98 C ATOM 365 CE1 HIS A 25 8.831 6.009 -0.058 1.00 2.00 C ATOM 366 NE2 HIS A 25 10.053 5.812 -0.437 1.00 2.07 N ATOM 0 H HIS A 25 7.819 1.430 -3.428 1.00 3.13 H new ATOM 0 HA HIS A 25 6.740 3.656 -1.765 1.00 2.12 H new ATOM 0 HB2 HIS A 25 9.119 3.369 -3.413 1.00 2.00 H new ATOM 0 HB3 HIS A 25 8.131 4.710 -3.958 1.00 2.00 H new ATOM 0 HD2 HIS A 25 10.968 4.836 -2.107 1.00 2.98 H new ATOM 0 HE1 HIS A 25 8.511 6.540 0.826 1.00 2.00 H new ATOM 0 HE2 HIS A 25 10.877 6.138 0.069 1.00 2.07 H new ATOM 375 N TYR A 26 5.054 4.410 -3.665 1.00 2.18 N ATOM 376 CA TYR A 26 4.042 4.582 -4.690 1.00 2.00 C ATOM 377 C TYR A 26 3.663 6.056 -4.879 1.00 2.55 C ATOM 378 O TYR A 26 3.851 6.852 -3.943 1.00 2.00 O ATOM 379 CB TYR A 26 2.776 3.737 -4.328 1.00 2.00 C ATOM 380 CG TYR A 26 1.916 4.228 -3.173 1.00 2.00 C ATOM 381 CD1 TYR A 26 0.920 5.175 -3.428 1.00 2.38 C ATOM 382 CD2 TYR A 26 2.131 3.800 -1.872 1.00 2.00 C ATOM 383 CE1 TYR A 26 0.159 5.681 -2.387 1.00 2.00 C ATOM 384 CE2 TYR A 26 1.371 4.314 -0.817 1.00 2.00 C ATOM 385 CZ TYR A 26 0.388 5.254 -1.086 1.00 2.12 C ATOM 386 OH TYR A 26 -0.382 5.772 -0.063 1.00 2.00 O ATOM 0 H TYR A 26 4.997 5.064 -2.884 1.00 2.18 H new ATOM 0 HA TYR A 26 4.458 4.231 -5.635 1.00 2.00 H new ATOM 0 HB2 TYR A 26 2.146 3.676 -5.215 1.00 2.00 H new ATOM 0 HB3 TYR A 26 3.102 2.723 -4.098 1.00 2.00 H new ATOM 0 HD1 TYR A 26 0.743 5.513 -4.439 1.00 2.38 H new ATOM 0 HD2 TYR A 26 2.893 3.062 -1.671 1.00 2.00 H new ATOM 0 HE1 TYR A 26 -0.613 6.409 -2.588 1.00 2.00 H new ATOM 0 HE2 TYR A 26 1.548 3.983 0.196 1.00 2.00 H new ATOM 0 HH TYR A 26 -0.560 6.720 -0.236 1.00 2.00 H new ATOM 396 N THR A 27 3.151 6.386 -6.067 1.00 2.38 N ATOM 397 CA THR A 27 2.491 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 6.479 -8.065 1.00 2.79 O ATOM 400 CB THR A 27 3.281 8.571 -7.256 1.00 2.00 C ATOM 401 OG1 THR A 27 4.508 8.863 -6.595 1.00 2.75 O ATOM 402 CG2 THR A 27 2.514 9.844 -7.544 1.00 4.47 C ATOM 0 H THR A 27 3.185 5.763 -6.874 1.00 2.38 H new ATOM 0 HA THR A 27 2.338 8.221 -5.427 1.00 2.63 H new ATOM 0 HB THR A 27 3.466 8.087 -8.215 1.00 2.00 H new ATOM 0 HG1 THR A 27 5.050 9.454 -7.158 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 1.570 9.598 -8.031 1.00 4.47 H new ATOM 0 HG23 THR A 27 2.314 10.368 -6.609 1.00 4.47 H new ATOM 410 N GLY A 28 0.074 7.583 -6.591 1.00 3.41 N ATOM 411 CA GLY A 28 -1.220 7.264 -7.212 1.00 2.19 C ATOM 412 C GLY A 28 -1.743 8.491 -7.933 1.00 2.29 C ATOM 413 O GLY A 28 -1.796 9.577 -7.358 1.00 2.51 O ATOM 0 H GLY A 28 -0.015 8.106 -5.720 1.00 3.41 H new ATOM 0 HA2 GLY A 28 -1.107 6.437 -7.913 1.00 2.19 H new ATOM 0 HA3 GLY A 28 -1.932 6.943 -6.452 1.00 2.19 H new ATOM 417 N MET A 29 -2.169 8.282 -9.171 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 -4.009 8.807 -10.713 1.00 3.85 C ATOM 420 O MET A 29 -4.366 7.619 -10.793 1.00 5.17 O ATOM 421 CB MET A 29 -1.721 9.634 -11.186 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 0.895 10.016 -11.863 1.00 18.22 S ATOM 424 CE MET A 29 1.292 8.321 -11.526 1.00 4.93 C ATOM 0 H MET A 29 -2.148 7.357 -9.599 1.00 2.00 H new ATOM 0 HA MET A 29 -2.891 10.189 -9.463 1.00 2.53 H new ATOM 0 HB2 MET A 29 -1.493 8.727 -11.746 1.00 2.36 H new ATOM 0 HB3 MET A 29 -2.191 10.329 -11.882 1.00 2.36 H new ATOM 0 HG2 MET A 29 -0.595 11.294 -10.478 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 2.285 8.262 -11.081 1.00 4.93 H new ATOM 0 HE2 MET A 29 0.559 7.906 -10.834 1.00 4.93 H new ATOM 0 HE3 MET A 29 1.276 7.752 -12.456 1.00 4.93 H new ATOM 434 N LEU A 30 -4.808 9.810 -11.025 1.00 5.61 N ATOM 435 CA LEU A 30 -6.030 9.696 -11.781 1.00 2.23 C ATOM 436 C LEU A 30 -5.624 9.632 -13.252 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 10.939 -11.439 1.00 3.44 C ATOM 439 CG LEU A 30 -8.077 10.942 -10.538 1.00 5.20 C ATOM 440 CD1 LEU A 30 -8.182 9.695 -9.681 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 -4.608 10.770 -10.742 1.00 5.61 H new ATOM 0 HA LEU A 30 -6.632 8.815 -11.561 1.00 2.23 H new ATOM 0 HB2 LEU A 30 -6.131 11.640 -10.989 1.00 3.44 H new ATOM 0 HB3 LEU A 30 -7.148 11.369 -12.390 1.00 3.44 H new ATOM 0 HG LEU A 30 -8.985 10.913 -11.141 1.00 5.20 H new ATOM 0 HD11 LEU A 30 -9.079 9.752 -9.065 1.00 5.93 H new ATOM 0 HD12 LEU A 30 -8.238 8.816 -10.323 1.00 5.93 H new ATOM 0 HD13 LEU A 30 -7.305 9.620 -9.039 1.00 5.93 H new ATOM 0 HD21 LEU A 30 -8.910 12.252 -9.091 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 -8.056 13.061 -10.427 1.00 5.88 H new ATOM 453 N GLU A 31 -6.459 9.227 -14.218 1.00 2.00 N ATOM 454 CA GLU A 31 -6.055 9.174 -15.620 1.00 3.38 C ATOM 455 C GLU A 31 -5.569 10.460 -16.261 1.00 2.24 C ATOM 456 O GLU A 31 -4.872 10.474 -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 -8.270 6.714 -17.471 1.00 12.33 C ATOM 460 OE1 GLU A 31 -9.463 7.070 -17.355 1.00 11.11 O ATOM 461 OE2 GLU A 31 -7.822 6.010 -18.393 1.00 11.97 O ATOM 0 H GLU A 31 -7.420 8.931 -14.048 1.00 2.00 H new ATOM 0 HA GLU A 31 -5.190 8.511 -15.601 1.00 3.38 H new ATOM 0 HB2 GLU A 31 -8.132 9.106 -16.086 1.00 6.39 H new ATOM 0 HB3 GLU A 31 -7.076 9.008 -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 -7.605 6.848 -15.420 1.00 8.67 H new ATOM 468 N ASP A 32 -5.917 11.602 -15.690 1.00 2.28 N ATOM 469 CA ASP A 32 -5.446 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 14.463 -15.940 1.00 3.63 O ATOM 472 CB ASP A 32 -6.505 13.943 -15.937 1.00 2.07 C ATOM 473 CG ASP A 32 -6.769 14.267 -14.477 1.00 4.69 C ATOM 474 OD1 ASP A 32 -6.221 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 -6.515 11.680 -14.867 1.00 2.28 H new ATOM 0 HA ASP A 32 -5.299 12.724 -17.299 1.00 2.22 H new ATOM 0 HB2 ASP A 32 -6.201 14.861 -16.439 1.00 2.07 H new ATOM 0 HB3 ASP A 32 -7.445 13.628 -16.390 1.00 2.07 H new ATOM 480 N GLY A 33 -3.408 12.475 -14.848 1.00 2.80 N ATOM 481 CA GLY A 33 -2.105 12.796 -14.283 1.00 3.15 C ATOM 482 C GLY A 33 -2.175 13.404 -12.885 1.00 5.33 C ATOM 483 O GLY A 33 -1.197 13.583 -12.164 1.00 6.47 O ATOM 0 H GLY A 33 -3.762 11.562 -14.564 1.00 2.80 H new ATOM 0 HA2 GLY A 33 -1.502 11.889 -14.245 1.00 3.15 H new ATOM 0 HA3 GLY A 33 -1.592 13.492 -14.947 1.00 3.15 H new ATOM 487 N LYS A 34 -3.337 13.772 -12.401 1.00 6.33 N ATOM 488 CA LYS A 34 -3.456 14.367 -11.096 1.00 8.80 C ATOM 489 C LYS A 34 -3.094 13.354 -10.009 1.00 8.23 C ATOM 490 O LYS A 34 -3.707 12.298 -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 15.996 -9.980 1.00 12.70 C ATOM 493 CD LYS A 34 -5.293 15.590 -8.562 1.00 16.34 C ATOM 494 CE LYS A 34 -6.779 15.266 -8.496 1.00 21.18 C ATOM 495 NZ LYS A 34 -7.595 16.453 -8.725 1.00 21.86 N ATOM 0 H LYS A 34 -4.221 13.667 -12.899 1.00 6.33 H new ATOM 0 HA LYS A 34 -2.766 15.204 -10.991 1.00 8.80 H new ATOM 0 HB2 LYS A 34 -5.281 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 16.501 -9.976 1.00 12.70 H new ATOM 0 HG3 LYS A 34 -5.681 16.719 -10.331 1.00 12.70 H new ATOM 0 HD2 LYS A 34 -4.704 14.723 -8.262 1.00 16.34 H new ATOM 0 HD3 LYS A 34 -5.051 16.395 -7.868 1.00 16.34 H new ATOM 0 HE2 LYS A 34 -7.021 14.508 -9.241 1.00 21.18 H new ATOM 0 HE3 LYS A 34 -7.017 14.842 -7.521 1.00 21.18 H new ATOM 0 HZ1 LYS A 34 -8.519 16.334 -8.262 1.00 21.86 H new ATOM 0 HZ2 LYS A 34 -7.114 17.286 -8.330 1.00 21.86 H new ATOM 0 HZ3 LYS A 34 -7.735 16.586 -9.747 1.00 21.86 H new ATOM 509 N LYS A 35 -2.135 13.729 -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 -2.660 13.047 -6.968 1.00 5.68 C ATOM 512 O LYS A 35 -3.053 14.164 -6.596 1.00 6.91 O ATOM 513 CB LYS A 35 -0.306 13.470 -7.614 1.00 8.72 C ATOM 514 CG LYS A 35 0.510 12.681 -6.584 1.00 12.44 C ATOM 515 CD LYS A 35 1.806 13.407 -6.179 1.00 14.32 C ATOM 516 CE LYS A 35 1.542 14.729 -5.415 1.00 15.27 C ATOM 517 NZ LYS A 35 2.773 15.453 -5.097 1.00 16.18 N ATOM 0 H LYS A 35 -1.657 14.627 -9.261 1.00 7.56 H new ATOM 0 HA LYS A 35 -1.536 11.886 -8.377 1.00 8.04 H new ATOM 0 HB2 LYS A 35 0.318 13.595 -8.499 1.00 8.72 H new ATOM 0 HB3 LYS A 35 -0.478 14.464 -7.202 1.00 8.72 H new ATOM 0 HG2 LYS A 35 -0.099 12.509 -5.697 1.00 12.44 H new ATOM 0 HG3 LYS A 35 0.758 11.702 -6.994 1.00 12.44 H new ATOM 0 HD2 LYS A 35 2.407 12.746 -5.555 1.00 14.32 H new ATOM 0 HD3 LYS A 35 2.392 13.621 -7.073 1.00 14.32 H new ATOM 0 HE2 LYS A 35 0.894 15.368 -6.016 1.00 15.27 H new ATOM 0 HE3 LYS A 35 1.006 14.509 -4.492 1.00 15.27 H new ATOM 0 HZ1 LYS A 35 2.541 16.429 -4.822 1.00 16.18 H new ATOM 0 HZ2 LYS A 35 3.261 14.979 -4.311 1.00 16.18 H new ATOM 0 HZ3 LYS A 35 3.393 15.467 -5.932 1.00 16.18 H new ATOM 531 N PHE A 36 -3.082 11.936 -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 11.893 -2.854 1.00 2.00 O ATOM 535 CB PHE A 36 -5.200 11.146 -5.431 1.00 2.10 C ATOM 536 CG PHE A 36 -5.038 9.687 -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 9.338 -7.177 1.00 5.73 C ATOM 539 CE1 PHE A 36 -4.729 7.384 -5.250 1.00 2.73 C ATOM 540 CE2 PHE A 36 -5.143 7.998 -7.533 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 -2.853 10.992 -6.712 1.00 3.94 H new ATOM 0 HA PHE A 36 -4.267 13.057 -5.116 1.00 2.69 H new ATOM 0 HB2 PHE A 36 -5.762 11.165 -4.497 1.00 2.10 H new ATOM 0 HB3 PHE A 36 -5.820 11.628 -6.186 1.00 2.10 H new ATOM 0 HD1 PHE A 36 -4.653 8.990 -3.834 1.00 2.64 H new ATOM 0 HD2 PHE A 36 -5.387 10.097 -7.924 1.00 5.73 H new ATOM 0 HE1 PHE A 36 -4.540 6.621 -4.509 1.00 2.73 H new ATOM 0 HE2 PHE A 36 -5.278 7.711 -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 -2.057 10.929 -4.096 1.00 3.41 N ATOM 552 CA ASP A 37 -1.241 10.565 -2.923 1.00 2.12 C ATOM 553 C ASP A 37 0.074 9.944 -3.360 1.00 2.45 C ATOM 554 O ASP A 37 0.129 9.432 -4.468 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 9.475 -0.635 1.00 2.59 C ATOM 557 OD1 ASP A 37 -0.988 10.520 -0.028 1.00 6.13 O ATOM 558 OD2 ASP A 37 -0.792 8.420 -0.186 1.00 2.00 O ATOM 0 H ASP A 37 -1.681 10.611 -4.989 1.00 3.41 H new ATOM 0 HA ASP A 37 -1.103 11.501 -2.381 1.00 2.12 H new ATOM 0 HB2 ASP A 37 -2.961 9.794 -1.849 1.00 2.05 H new ATOM 0 HB3 ASP A 37 -1.893 8.548 -2.463 1.00 2.05 H new ATOM 563 N SER A 38 1.115 10.015 -2.517 1.00 2.00 N ATOM 564 CA SER A 38 2.446 9.460 -2.792 1.00 2.93 C ATOM 565 C SER A 38 3.206 9.242 -1.494 1.00 2.00 C ATOM 566 O SER A 38 3.273 10.152 -0.662 1.00 2.00 O ATOM 567 CB SER A 38 3.285 10.401 -3.677 1.00 2.08 C ATOM 568 OG SER A 38 4.540 9.797 -3.958 1.00 2.00 O ATOM 0 H SER A 38 1.052 10.470 -1.606 1.00 2.00 H new ATOM 0 HA SER A 38 2.292 8.515 -3.314 1.00 2.93 H new ATOM 0 HB2 SER A 38 2.755 10.612 -4.606 1.00 2.08 H new ATOM 0 HB3 SER A 38 3.434 11.355 -3.172 1.00 2.08 H new ATOM 0 HG SER A 38 4.538 9.449 -4.874 1.00 2.00 H new ATOM 574 N SER A 39 3.743 8.034 -1.279 1.00 2.00 N ATOM 575 CA SER A 39 4.572 7.805 -0.095 1.00 2.30 C ATOM 576 C SER A 39 5.947 8.439 -0.319 1.00 2.10 C ATOM 577 O SER A 39 6.699 8.681 0.632 1.00 2.00 O ATOM 578 CB SER A 39 4.747 6.315 0.184 1.00 2.05 C ATOM 579 OG SER A 39 5.236 5.621 -0.956 1.00 2.24 O ATOM 0 H SER A 39 3.623 7.225 -1.889 1.00 2.00 H new ATOM 0 HA SER A 39 4.075 8.256 0.764 1.00 2.30 H new ATOM 0 HB2 SER A 39 5.437 6.179 1.017 1.00 2.05 H new ATOM 0 HB3 SER A 39 3.792 5.887 0.489 1.00 2.05 H new ATOM 0 HG SER A 39 6.215 5.595 -0.928 1.00 2.24 H new ATOM 585 N ARG A 40 6.293 8.668 -1.597 1.00 2.24 N ATOM 586 CA ARG A 40 7.553 9.275 -1.949 1.00 2.47 C ATOM 587 C ARG A 40 7.538 10.701 -1.360 1.00 4.47 C ATOM 588 O ARG A 40 8.534 11.115 -0.783 1.00 3.23 O ATOM 589 CB ARG A 40 7.756 9.302 -3.488 1.00 2.21 C ATOM 590 CG ARG A 40 7.920 7.902 -4.121 1.00 3.48 C ATOM 591 CD ARG A 40 8.353 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 4.697 -7.346 1.00 10.02 N ATOM 0 H ARG A 40 5.703 8.434 -2.395 1.00 2.24 H new ATOM 0 HA ARG A 40 8.385 8.699 -1.545 1.00 2.47 H new ATOM 0 HB2 ARG A 40 6.903 9.801 -3.949 1.00 2.21 H new ATOM 0 HB3 ARG A 40 8.638 9.900 -3.718 1.00 2.21 H new ATOM 0 HG2 ARG A 40 8.655 7.348 -3.538 1.00 3.48 H new ATOM 0 HG3 ARG A 40 6.973 7.371 -4.026 1.00 3.48 H new ATOM 0 HD2 ARG A 40 7.669 8.480 -6.197 1.00 6.38 H new ATOM 0 HD3 ARG A 40 9.343 8.310 -5.707 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 4.142 -7.247 1.00 10.02 H new ATOM 0 HH22 ARG A 40 6.563 4.307 -7.827 1.00 10.02 H new ATOM 609 N ASP A 41 6.410 11.411 -1.344 1.00 5.39 N ATOM 610 CA ASP A 41 6.347 12.731 -0.711 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 4.985 13.428 -1.036 1.00 4.98 C ATOM 614 CG ASP A 41 4.734 13.697 -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 3.563 13.634 -2.896 1.00 8.02 O ATOM 0 H ASP A 41 5.532 11.098 -1.759 1.00 5.39 H new ATOM 0 HA ASP A 41 7.165 13.331 -1.110 1.00 4.46 H new ATOM 0 HB2 ASP A 41 4.176 12.806 -0.653 1.00 4.98 H new ATOM 0 HB3 ASP A 41 4.941 14.375 -0.498 1.00 4.98 H new ATOM 621 N ARG A 42 6.119 11.501 1.431 1.00 6.18 N ATOM 622 CA ARG A 42 6.336 11.336 2.857 1.00 6.28 C ATOM 623 C ARG A 42 7.704 10.712 3.173 1.00 6.35 C ATOM 624 O ARG A 42 8.161 10.698 4.325 1.00 4.86 O ATOM 625 CB ARG A 42 5.284 10.455 3.476 1.00 6.80 C ATOM 626 CG ARG A 42 3.889 10.877 3.088 1.00 8.27 C ATOM 627 CD ARG A 42 2.863 10.037 3.837 1.00 6.41 C ATOM 628 NE ARG A 42 2.629 8.659 3.464 1.00 9.14 N ATOM 629 CZ ARG A 42 1.775 8.321 2.488 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 5.659 10.714 0.972 1.00 6.18 H new ATOM 0 HA ARG A 42 6.288 12.341 3.275 1.00 6.28 H new ATOM 0 HB2 ARG A 42 5.449 9.423 3.167 1.00 6.80 H new ATOM 0 HB3 ARG A 42 5.382 10.482 4.561 1.00 6.80 H new ATOM 0 HG2 ARG A 42 3.743 11.933 3.316 1.00 8.27 H new ATOM 0 HG3 ARG A 42 3.751 10.761 2.013 1.00 8.27 H new ATOM 0 HD2 ARG A 42 3.150 10.041 4.889 1.00 6.41 H new ATOM 0 HD3 ARG A 42 1.907 10.557 3.765 1.00 6.41 H new ATOM 0 HE ARG A 42 3.130 7.921 3.959 1.00 9.14 H new ATOM 0 HH11 ARG A 42 1.381 10.252 1.934 1.00 10.21 H new ATOM 0 HH12 ARG A 42 0.534 9.006 1.011 1.00 10.21 H new ATOM 0 HH21 ARG A 42 2.068 6.313 2.710 1.00 8.82 H new ATOM 0 HH22 ARG A 42 0.923 6.783 1.450 1.00 8.82 H new ATOM 645 N ASN A 43 8.397 10.225 2.135 1.00 9.32 N ATOM 646 CA ASN A 43 9.700 9.601 2.248 1.00 9.05 C ATOM 647 C ASN A 43 9.660 8.416 3.225 1.00 10.05 C ATOM 648 O ASN A 43 10.585 8.119 3.950 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 12.092 10.204 2.617 1.00 14.48 C ATOM 651 OD1 ASN A 43 12.845 10.400 3.558 1.00 16.38 O ATOM 652 ND2 ASN A 43 12.628 9.625 1.549 1.00 15.17 N ATOM 0 H ASN A 43 8.050 10.260 1.177 1.00 9.32 H new ATOM 0 HA ASN A 43 10.024 9.179 1.297 1.00 9.05 H new ATOM 0 HB2 ASN A 43 10.542 11.555 2.039 1.00 11.21 H new ATOM 0 HB3 ASN A 43 10.427 10.996 3.696 1.00 11.21 H new ATOM 0 HD21 ASN A 43 13.616 9.371 1.548 1.00 15.17 H new ATOM 0 HD22 ASN A 43 12.052 9.434 0.729 1.00 15.17 H new ATOM 659 N LYS A 44 8.569 7.683 3.293 1.00 10.76 N ATOM 660 CA LYS A 44 8.474 6.523 4.161 1.00 10.17 C ATOM 661 C LYS A 44 7.716 5.492 3.313 1.00 8.67 C ATOM 662 O LYS A 44 6.660 5.839 2.749 1.00 7.64 O ATOM 663 CB LYS A 44 7.724 6.951 5.441 1.00 13.81 C ATOM 664 CG LYS A 44 7.661 5.875 6.546 1.00 15.25 C ATOM 665 CD LYS A 44 6.928 6.427 7.770 1.00 17.60 C ATOM 666 CE LYS A 44 6.521 5.315 8.763 1.00 19.28 C ATOM 667 NZ LYS A 44 5.454 4.473 8.237 1.00 20.21 N ATOM 0 H LYS A 44 7.725 7.871 2.752 1.00 10.76 H new ATOM 0 HA LYS A 44 9.423 6.103 4.494 1.00 10.17 H new ATOM 0 HB2 LYS A 44 8.206 7.841 5.847 1.00 13.81 H new ATOM 0 HB3 LYS A 44 6.707 7.234 5.171 1.00 13.81 H new ATOM 0 HG2 LYS A 44 7.148 4.988 6.173 1.00 15.25 H new ATOM 0 HG3 LYS A 44 8.669 5.567 6.823 1.00 15.25 H new ATOM 0 HD2 LYS A 44 7.568 7.148 8.279 1.00 17.60 H new ATOM 0 HD3 LYS A 44 6.037 6.964 7.445 1.00 17.60 H new ATOM 0 HE2 LYS A 44 7.390 4.698 8.991 1.00 19.28 H new ATOM 0 HE3 LYS A 44 6.196 5.767 9.700 1.00 19.28 H new ATOM 0 HZ1 LYS A 44 5.085 3.865 8.996 1.00 20.21 H new ATOM 0 HZ2 LYS A 44 4.687 5.073 7.870 1.00 20.21 H new ATOM 0 HZ3 LYS A 44 5.827 3.879 7.469 1.00 20.21 H new ATOM 681 N PRO A 45 8.294 4.296 3.015 1.00 8.75 N ATOM 682 CA PRO A 45 7.661 3.256 2.203 1.00 5.33 C ATOM 683 C PRO A 45 6.355 2.812 2.840 1.00 3.26 C ATOM 684 O PRO A 45 6.200 2.871 4.064 1.00 2.00 O ATOM 685 CB PRO A 45 8.626 2.097 2.128 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 1.206 1.00 5.33 H new ATOM 0 HB2 PRO A 45 8.347 1.294 2.810 1.00 4.54 H new ATOM 0 HB3 PRO A 45 8.663 1.666 1.127 1.00 4.54 H new ATOM 0 HG2 PRO A 45 10.618 1.988 2.940 1.00 6.86 H new ATOM 0 HG3 PRO A 45 10.438 3.157 1.647 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 1.864 2.522 1.00 2.08 C ATOM 697 C PHE A 46 4.310 0.355 2.665 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 2.237 1.527 1.00 2.00 C ATOM 700 CG PHE A 46 1.706 1.712 1.869 1.00 2.33 C ATOM 701 CD1 PHE A 46 0.980 2.288 2.886 1.00 2.08 C ATOM 702 CD2 PHE A 46 1.191 0.656 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 2.287 0.988 1.00 3.06 H new ATOM 0 HA PHE A 46 3.916 2.301 3.487 1.00 2.08 H new ATOM 0 HB2 PHE A 46 3.022 3.323 1.455 1.00 2.00 H new ATOM 0 HB3 PHE A 46 3.353 1.865 0.542 1.00 2.00 H new ATOM 0 HD1 PHE A 46 1.387 3.119 3.443 1.00 2.08 H new ATOM 0 HD2 PHE A 46 1.762 0.206 0.359 1.00 2.08 H new ATOM 0 HE1 PHE A 46 -0.840 2.248 3.983 1.00 4.65 H new ATOM 0 HE2 PHE A 46 -0.463 -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 -0.265 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 -2.363 3.772 1.00 2.74 C ATOM 718 O LYS A 47 1.594 -1.823 4.390 1.00 2.00 O ATOM 719 CB LYS A 47 4.516 -2.122 5.188 1.00 2.52 C ATOM 720 CG LYS A 47 5.951 -1.711 5.281 1.00 5.16 C ATOM 721 CD LYS A 47 6.607 -2.195 6.557 1.00 8.34 C ATOM 722 CE LYS A 47 8.068 -1.829 6.362 1.00 8.64 C ATOM 723 NZ LYS A 47 8.853 -2.083 7.562 1.00 10.62 N ATOM 0 H LYS A 47 3.395 0.204 4.526 1.00 2.00 H new ATOM 0 HA LYS A 47 4.542 -2.057 3.024 1.00 3.08 H new ATOM 0 HB2 LYS A 47 3.949 -1.662 5.998 1.00 2.52 H new ATOM 0 HB3 LYS A 47 4.435 -3.202 5.315 1.00 2.52 H new ATOM 0 HG2 LYS A 47 6.496 -2.105 4.423 1.00 5.16 H new ATOM 0 HG3 LYS A 47 6.019 -0.624 5.230 1.00 5.16 H new ATOM 0 HD2 LYS A 47 6.185 -1.708 7.436 1.00 8.34 H new ATOM 0 HD3 LYS A 47 6.476 -3.268 6.694 1.00 8.34 H new ATOM 0 HE2 LYS A 47 8.479 -2.402 5.531 1.00 8.64 H new ATOM 0 HE3 LYS A 47 8.146 -0.776 6.092 1.00 8.64 H new ATOM 0 HZ1 LYS A 47 9.672 -1.443 7.583 1.00 10.62 H new ATOM 0 HZ2 LYS A 47 8.264 -1.919 8.403 1.00 10.62 H new ATOM 0 HZ3 LYS A 47 9.184 -3.069 7.558 1.00 10.62 H new ATOM 737 N PHE A 48 2.331 -3.464 3.044 1.00 2.00 N ATOM 738 CA PHE A 48 1.088 -4.210 3.152 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 2.387 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 -4.344 0.632 1.00 2.08 C ATOM 743 CD1 PHE A 48 1.302 -3.655 -0.160 1.00 2.00 C ATOM 744 CD2 PHE A 48 -0.216 -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 -5.926 -1.151 1.00 2.00 C ATOM 747 CZ PHE A 48 0.937 -5.226 -1.938 1.00 2.20 C ATOM 0 H PHE A 48 3.009 -3.849 2.386 1.00 2.00 H new ATOM 0 HA PHE A 48 0.608 -3.974 4.102 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 1.998 1.00 2.00 H new ATOM 0 HD1 PHE A 48 1.795 -2.771 0.218 1.00 2.00 H new ATOM 0 HD2 PHE A 48 -0.910 -6.028 0.768 1.00 2.00 H new ATOM 0 HE1 PHE A 48 2.259 -3.558 -2.053 1.00 2.00 H new ATOM 0 HE2 PHE A 48 -0.440 -6.810 -1.535 1.00 2.00 H new ATOM 0 HZ PHE A 48 1.147 -5.557 -2.944 1.00 2.20 H new ATOM 757 N MET A 49 0.675 -6.602 3.670 1.00 2.00 N ATOM 758 CA MET A 49 0.845 -8.047 3.489 1.00 2.02 C ATOM 759 C MET A 49 -0.054 -8.554 2.382 1.00 2.13 C ATOM 760 O MET A 49 -1.279 -8.315 2.392 1.00 2.11 O ATOM 761 CB MET A 49 0.504 -8.809 4.790 1.00 2.17 C ATOM 762 CG MET A 49 0.272 -10.340 4.704 1.00 2.67 C ATOM 763 SD MET A 49 0.172 -11.211 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 -0.078 -6.358 4.314 1.00 2.00 H new ATOM 0 HA MET A 49 1.888 -8.224 3.227 1.00 2.02 H new ATOM 0 HB2 MET A 49 1.313 -8.634 5.500 1.00 2.17 H new ATOM 0 HB3 MET A 49 -0.394 -8.360 5.213 1.00 2.17 H new ATOM 0 HG2 MET A 49 -0.652 -10.519 4.154 1.00 2.67 H new ATOM 0 HG3 MET A 49 1.081 -10.780 4.120 1.00 2.67 H new ATOM 0 HE1 MET A 49 1.786 -11.102 7.998 1.00 2.40 H new ATOM 0 HE2 MET A 49 2.334 -10.317 6.498 1.00 2.40 H new ATOM 0 HE3 MET A 49 1.163 -9.495 7.556 1.00 2.40 H new ATOM 774 N LEU A 50 0.582 -9.239 1.445 1.00 2.73 N ATOM 775 CA LEU A 50 -0.077 -9.868 0.346 1.00 2.85 C ATOM 776 C LEU A 50 -1.026 -10.945 0.834 1.00 3.08 C ATOM 777 O LEU A 50 -0.627 -11.834 1.586 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 1.163 -10.238 -2.016 1.00 2.52 C ATOM 780 CD1 LEU A 50 1.517 -11.572 -2.678 1.00 2.96 C ATOM 781 CD2 LEU A 50 0.009 -9.627 -2.739 1.00 2.66 C ATOM 0 H LEU A 50 1.594 -9.367 1.441 1.00 2.73 H new ATOM 0 HA LEU A 50 -0.578 -9.051 -0.173 1.00 2.85 H new ATOM 0 HB2 LEU A 50 1.848 -10.607 -0.093 1.00 2.20 H new ATOM 0 HB3 LEU A 50 0.534 -11.639 -0.621 1.00 2.20 H new ATOM 0 HG LEU A 50 1.945 -9.480 -2.052 1.00 2.52 H new ATOM 0 HD11 LEU A 50 1.742 -11.407 -3.732 1.00 2.96 H new ATOM 0 HD12 LEU A 50 2.388 -12.004 -2.184 1.00 2.96 H new ATOM 0 HD13 LEU A 50 0.674 -12.257 -2.590 1.00 2.96 H new ATOM 0 HD21 LEU A 50 0.304 -9.392 -3.762 1.00 2.66 H new ATOM 0 HD22 LEU A 50 -0.824 -10.330 -2.754 1.00 2.66 H new ATOM 0 HD23 LEU A 50 -0.296 -8.713 -2.230 1.00 2.66 H new ATOM 793 N GLY A 51 -2.273 -10.888 0.342 1.00 2.96 N ATOM 794 CA GLY A 51 -3.298 -11.872 0.624 1.00 2.36 C ATOM 795 C GLY A 51 -4.115 -11.570 1.855 1.00 4.78 C ATOM 796 O GLY A 51 -5.126 -12.226 2.102 1.00 4.95 O ATOM 0 H GLY A 51 -2.591 -10.139 -0.273 1.00 2.96 H new ATOM 0 HA2 GLY A 51 -3.966 -11.943 -0.235 1.00 2.36 H new ATOM 0 HA3 GLY A 51 -2.828 -12.848 0.743 1.00 2.36 H new ATOM 800 N LYS A 52 -3.792 -10.523 2.595 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 3.540 1.00 6.54 C ATOM 803 O LYS A 52 -6.556 -9.100 4.466 1.00 6.39 O ATOM 804 CB LYS A 52 -3.629 -9.477 4.649 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 -2.996 -8.444 6.538 1.00 6.87 C ATOM 807 CE LYS A 52 -2.827 -8.377 7.977 1.00 7.65 C ATOM 808 NZ LYS A 52 -2.224 -7.101 8.302 1.00 10.26 N ATOM 0 H LYS A 52 -3.023 -9.885 2.389 1.00 3.99 H new ATOM 0 HA LYS A 52 -4.890 -11.142 4.223 1.00 4.41 H new ATOM 0 HB2 LYS A 52 -2.617 -9.843 4.475 1.00 5.08 H new ATOM 0 HB3 LYS A 52 -3.644 -8.428 4.354 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 -10.521 6.574 1.00 4.53 H new ATOM 0 HD2 LYS A 52 -2.025 -8.587 6.065 1.00 6.87 H new ATOM 0 HD3 LYS A 52 -3.392 -7.496 6.174 1.00 6.87 H new ATOM 0 HE2 LYS A 52 -3.789 -8.482 8.478 1.00 7.65 H new ATOM 0 HE3 LYS A 52 -2.196 -9.195 8.324 1.00 7.65 H new ATOM 0 HZ1 LYS A 52 -2.455 -6.848 9.284 1.00 10.26 H new ATOM 0 HZ2 LYS A 52 -1.192 -7.168 8.195 1.00 10.26 H new ATOM 0 HZ3 LYS A 52 -2.592 -6.370 7.661 1.00 10.26 H new ATOM 822 N GLN A 53 -6.093 -8.987 2.306 1.00 5.52 N ATOM 823 CA GLN A 53 -7.281 -8.220 1.947 1.00 7.26 C ATOM 824 C GLN A 53 -7.329 -6.832 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 -8.546 -8.958 2.354 1.00 6.90 C ATOM 827 CG GLN A 53 -8.845 -10.235 1.619 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 3.015 1.00 7.07 O ATOM 830 NE2 GLN A 53 -9.516 -12.381 2.474 1.00 10.24 N ATOM 0 H GLN A 53 -5.489 -9.189 1.509 1.00 5.52 H new ATOM 0 HA GLN A 53 -7.223 -8.103 0.865 1.00 7.26 H new ATOM 0 HB2 GLN A 53 -8.481 -9.184 3.418 1.00 6.90 H new ATOM 0 HB3 GLN A 53 -9.392 -8.283 2.223 1.00 6.90 H new ATOM 0 HG2 GLN A 53 -9.277 -10.011 0.644 1.00 8.41 H new ATOM 0 HG3 GLN A 53 -7.922 -10.786 1.439 1.00 8.41 H new ATOM 0 HE21 GLN A 53 -8.695 -12.735 1.982 1.00 10.24 H new ATOM 0 HE22 GLN A 53 -10.112 -13.022 2.999 1.00 10.24 H new ATOM 839 N GLU A 54 -6.177 -6.160 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 -2.578 2.568 1.00 2.19 O ATOM 843 CB GLU A 54 -5.220 -4.763 4.327 1.00 6.18 C ATOM 844 CG GLU A 54 -3.769 -5.101 3.990 1.00 7.49 C ATOM 845 CD GLU A 54 -2.856 -5.019 5.202 1.00 8.80 C ATOM 846 OE1 GLU A 54 -3.344 -4.749 6.303 1.00 10.56 O ATOM 847 OE2 GLU A 54 -1.658 -5.250 5.063 1.00 3.57 O ATOM 0 H GLU A 54 -5.274 -6.512 2.316 1.00 3.31 H new ATOM 0 HA GLU A 54 -7.193 -4.634 3.497 1.00 4.11 H new ATOM 0 HB2 GLU A 54 -5.254 -3.759 4.750 1.00 6.18 H new ATOM 0 HB3 GLU A 54 -5.565 -5.447 5.102 1.00 6.18 H new ATOM 0 HG2 GLU A 54 -3.721 -6.106 3.571 1.00 7.49 H new ATOM 0 HG3 GLU A 54 -3.409 -4.417 3.221 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 -5.365 -3.129 -0.145 1.00 2.05 C ATOM 856 C VAL A 55 -6.380 -3.463 -1.246 1.00 2.45 C ATOM 857 O VAL A 55 -7.095 -4.487 -1.172 1.00 2.43 O ATOM 858 CB VAL A 55 -3.925 -3.188 -0.726 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 -1.072 1.00 2.00 C ATOM 0 H VAL A 55 -5.437 -5.050 0.643 1.00 2.00 H new ATOM 0 HA VAL A 55 -5.522 -2.121 0.238 1.00 2.05 H new ATOM 0 HB VAL A 55 -3.861 -2.674 -1.685 1.00 2.04 H new ATOM 0 HG11 VAL A 55 -2.009 -2.513 -0.050 1.00 2.03 H new ATOM 0 HG12 VAL A 55 -3.372 -1.476 0.435 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 -4.599 -1.474 1.00 2.00 H new ATOM 0 HG22 VAL A 55 -3.504 -5.234 -0.172 1.00 2.00 H new ATOM 0 HG23 VAL A 55 -4.159 -5.040 -1.816 1.00 2.00 H new ATOM 870 N ILE A 56 -6.488 -2.618 -2.270 1.00 2.91 N ATOM 871 CA ILE A 56 -7.450 -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 -4.343 1.00 2.00 O ATOM 874 CB ILE A 56 -7.669 -1.525 -4.218 1.00 4.27 C ATOM 875 CG1 ILE A 56 -6.355 -0.872 -4.662 1.00 5.57 C ATOM 876 CG2 ILE A 56 -8.487 -0.527 -3.391 1.00 3.68 C ATOM 877 CD1 ILE A 56 -6.470 0.201 -5.779 1.00 5.31 C ATOM 0 H ILE A 56 -5.921 -1.778 -2.383 1.00 2.91 H new ATOM 0 HA ILE A 56 -8.410 -3.084 -2.868 1.00 2.47 H new ATOM 0 HB ILE A 56 -8.190 -1.816 -5.130 1.00 4.27 H new ATOM 0 HG12 ILE A 56 -5.889 -0.412 -3.791 1.00 5.57 H new ATOM 0 HG13 ILE A 56 -5.681 -1.656 -5.007 1.00 5.57 H new ATOM 0 HG21 ILE A 56 -8.651 0.380 -3.973 1.00 3.68 H new ATOM 0 HG22 ILE A 56 -9.448 -0.971 -3.132 1.00 3.68 H new ATOM 0 HG23 ILE A 56 -7.944 -0.279 -2.479 1.00 3.68 H new ATOM 0 HD11 ILE A 56 -5.480 0.593 -6.011 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 -7.111 1.014 -5.438 1.00 5.31 H new ATOM 889 N ARG A 57 -8.010 -4.697 -4.788 1.00 3.25 N ATOM 890 CA ARG A 57 -7.759 -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 -6.617 -6.998 1.00 2.00 O ATOM 893 CB ARG A 57 -9.116 -6.439 -6.144 1.00 6.66 C ATOM 894 CG ARG A 57 -8.970 -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 -9.521 -8.209 1.00 15.24 N ATOM 897 CZ ARG A 57 -10.646 -10.298 -8.969 1.00 17.74 C ATOM 898 NH1 ARG A 57 -11.959 -10.079 -9.148 1.00 18.93 N ATOM 899 NH2 ARG A 57 -10.063 -11.346 -9.574 1.00 19.11 N ATOM 0 H ARG A 57 -8.991 -4.423 -4.729 1.00 3.25 H new ATOM 0 HA ARG A 57 -7.293 -6.629 -4.917 1.00 4.24 H new ATOM 0 HB2 ARG A 57 -9.800 -6.611 -5.313 1.00 6.66 H new ATOM 0 HB3 ARG A 57 -9.568 -5.675 -6.776 1.00 6.66 H new ATOM 0 HG2 ARG A 57 -8.308 -7.533 -7.788 1.00 10.53 H new ATOM 0 HG3 ARG A 57 -8.479 -8.468 -6.315 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 -8.873 -9.789 -8.137 1.00 15.24 H new ATOM 0 HH11 ARG A 57 -12.410 -9.285 -8.694 1.00 18.93 H new ATOM 0 HH12 ARG A 57 -12.505 -10.707 -9.738 1.00 18.93 H new ATOM 0 HH21 ARG A 57 -9.066 -11.520 -9.445 1.00 19.11 H new ATOM 0 HH22 ARG A 57 -10.617 -11.968 -10.162 1.00 19.11 H new ATOM 913 N GLY A 58 -6.691 -4.601 -7.442 1.00 2.00 N ATOM 914 CA GLY A 58 -5.708 -4.427 -8.489 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 -3.329 -4.661 -8.706 1.00 2.06 O ATOM 0 H GLY A 58 -7.306 -3.798 -7.307 1.00 2.00 H new ATOM 0 HA2 GLY A 58 -5.794 -5.246 -9.204 1.00 2.00 H new ATOM 0 HA3 GLY A 58 -5.920 -3.506 -9.032 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 -5.989 1.00 2.01 C ATOM 922 C TRP A 59 -2.359 -5.523 -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 -2.776 -3.230 -4.695 1.00 2.42 C ATOM 925 CG TRP A 59 -2.218 -1.834 -4.932 1.00 3.74 C ATOM 926 CD1 TRP A 59 -2.751 -0.973 -5.876 1.00 2.71 C ATOM 927 CD2 TRP A 59 -1.123 -1.286 -4.287 1.00 5.38 C ATOM 928 NE1 TRP A 59 -1.991 0.105 -5.823 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 -3.289 1.00 4.69 C ATOM 931 CZ2 TRP A 59 -0.018 0.825 -4.522 1.00 6.46 C ATOM 932 CZ3 TRP A 59 0.756 -0.823 -2.922 1.00 6.70 C ATOM 933 CH2 TRP A 59 0.862 0.416 -3.530 1.00 7.96 C ATOM 0 H TRP A 59 -4.832 -3.679 -6.051 1.00 2.66 H new ATOM 0 HA TRP A 59 -2.031 -3.666 -6.685 1.00 2.01 H new ATOM 0 HB2 TRP A 59 -3.796 -3.156 -4.318 1.00 2.42 H new ATOM 0 HB3 TRP A 59 -2.188 -3.732 -3.927 1.00 2.42 H new ATOM 0 HD1 TRP A 59 -3.603 -1.146 -6.516 1.00 2.71 H new ATOM 0 HE1 TRP A 59 -2.121 0.935 -6.401 1.00 4.59 H new ATOM 0 HE3 TRP A 59 -0.330 -2.656 -2.819 1.00 4.69 H new ATOM 0 HZ2 TRP A 59 0.078 1.796 -4.985 1.00 6.46 H new ATOM 0 HZ3 TRP A 59 1.460 -1.107 -2.154 1.00 6.70 H new ATOM 0 HH2 TRP A 59 1.653 1.084 -3.223 1.00 7.96 H new ATOM 944 N GLU A 60 -3.191 -6.296 -4.928 1.00 5.21 N ATOM 945 CA GLU A 60 -2.951 -7.730 -4.667 1.00 6.47 C ATOM 946 C GLU A 60 -2.538 -8.472 -5.947 1.00 6.41 C ATOM 947 O GLU A 60 -1.632 -9.329 -5.995 1.00 4.95 O ATOM 948 CB GLU A 60 -4.220 -8.470 -4.171 1.00 8.59 C ATOM 949 CG GLU A 60 -4.946 -7.953 -2.925 1.00 12.19 C ATOM 950 CD GLU A 60 -4.394 -8.400 -1.566 1.00 14.08 C ATOM 951 OE1 GLU A 60 -3.188 -8.317 -1.356 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 -4.505 1.00 5.21 H new ATOM 0 HA GLU A 60 -2.168 -7.741 -3.908 1.00 6.47 H new ATOM 0 HB2 GLU A 60 -4.938 -8.476 -4.991 1.00 8.59 H new ATOM 0 HB3 GLU A 60 -3.943 -9.507 -3.983 1.00 8.59 H new ATOM 0 HG2 GLU A 60 -4.936 -6.863 -2.954 1.00 12.19 H new ATOM 0 HG3 GLU A 60 -5.989 -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 -8.193 -9.049 1.00 5.27 C ATOM 962 O GLU A 61 -1.077 -8.927 -9.709 1.00 3.77 O ATOM 963 CB GLU A 61 -4.230 -8.654 -9.207 1.00 9.22 C ATOM 964 CG GLU A 61 -5.481 -9.268 -8.557 1.00 14.36 C ATOM 965 CD GLU A 61 -5.975 -10.545 -9.225 1.00 19.08 C ATOM 966 OE1 GLU A 61 -5.368 -11.589 -8.991 1.00 20.27 O ATOM 967 OE2 GLU A 61 -6.936 -10.475 -9.999 1.00 17.50 O ATOM 0 H GLU A 61 -4.038 -7.501 -7.022 1.00 5.65 H new ATOM 0 HA GLU A 61 -2.761 -9.825 -8.106 1.00 6.52 H new ATOM 0 HB2 GLU A 61 -4.413 -7.601 -9.421 1.00 9.22 H new ATOM 0 HB3 GLU A 61 -4.039 -9.145 -10.161 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 -8.530 -8.573 1.00 14.36 H new ATOM 974 N GLY A 62 -1.584 -6.890 -8.940 1.00 2.00 N ATOM 975 CA GLY A 62 -0.532 -6.297 -9.711 1.00 2.02 C ATOM 976 C GLY A 62 0.839 -6.410 -9.096 1.00 2.26 C ATOM 977 O GLY A 62 1.840 -6.752 -9.757 1.00 4.04 O ATOM 0 H GLY A 62 -2.099 -6.249 -8.337 1.00 2.00 H new ATOM 0 HA2 GLY A 62 -0.513 -6.764 -10.696 1.00 2.02 H new ATOM 0 HA3 GLY A 62 -0.761 -5.242 -9.863 1.00 2.02 H new ATOM 981 N VAL A 63 0.929 -6.124 -7.812 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 -7.680 -7.114 1.00 3.38 C ATOM 984 O VAL A 63 3.870 -7.958 -7.190 1.00 2.43 O ATOM 985 CB VAL A 63 2.074 -5.507 -5.773 1.00 3.21 C ATOM 986 CG1 VAL A 63 3.413 -5.649 -5.053 1.00 2.73 C ATOM 987 CG2 VAL A 63 1.856 -3.969 -5.901 1.00 5.35 C ATOM 0 H VAL A 63 0.151 -5.845 -7.215 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 1.232 -5.968 -5.258 1.00 3.21 H new ATOM 0 HG11 VAL A 63 3.352 -5.174 -4.074 1.00 2.73 H new ATOM 0 HG12 VAL A 63 3.649 -6.706 -4.929 1.00 2.73 H new ATOM 0 HG13 VAL A 63 4.195 -5.169 -5.641 1.00 2.73 H new ATOM 0 HG21 VAL A 63 1.769 -3.530 -4.907 1.00 5.35 H new ATOM 0 HG22 VAL A 63 2.704 -3.523 -6.422 1.00 5.35 H new ATOM 0 HG23 VAL A 63 0.943 -3.777 -6.464 1.00 5.35 H new ATOM 997 N ALA A 64 1.779 -8.681 -7.099 1.00 2.32 N ATOM 998 CA ALA A 64 2.202 -10.070 -7.125 1.00 2.00 C ATOM 999 C ALA A 64 2.927 -10.432 -8.419 1.00 2.06 C ATOM 1000 O ALA A 64 3.703 -11.383 -8.469 1.00 3.03 O ATOM 1001 CB ALA A 64 1.030 -11.003 -7.001 1.00 2.22 C ATOM 0 H ALA A 64 0.768 -8.547 -7.069 1.00 2.32 H new ATOM 0 HA ALA A 64 2.878 -10.182 -6.277 1.00 2.00 H new ATOM 0 HB1 ALA A 64 1.382 -12.034 -7.024 1.00 2.22 H new ATOM 0 HB2 ALA A 64 0.514 -10.816 -6.059 1.00 2.22 H new ATOM 0 HB3 ALA A 64 0.342 -10.836 -7.830 1.00 2.22 H new ATOM 1007 N GLN A 65 2.741 -9.613 -9.465 1.00 2.11 N ATOM 1008 CA GLN A 65 3.439 -9.785 -10.715 1.00 2.06 C ATOM 1009 C GLN A 65 4.800 -9.151 -10.722 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 2.626 -9.192 -11.852 1.00 2.23 C ATOM 1012 CG GLN A 65 1.439 -10.137 -12.155 1.00 2.09 C ATOM 1013 CD GLN A 65 0.507 -9.515 -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 -8.991 -12.810 1.00 2.33 N ATOM 0 H GLN A 65 2.101 -8.819 -9.452 1.00 2.11 H new ATOM 0 HA GLN A 65 3.569 -10.859 -10.846 1.00 2.06 H new ATOM 0 HB2 GLN A 65 2.261 -8.202 -11.580 1.00 2.23 H new ATOM 0 HB3 GLN A 65 3.248 -9.070 -12.739 1.00 2.23 H new ATOM 0 HG2 GLN A 65 1.813 -11.093 -12.521 1.00 2.09 H new ATOM 0 HG3 GLN A 65 0.887 -10.341 -11.238 1.00 2.09 H new ATOM 0 HE21 GLN A 65 -0.925 -9.049 -11.833 1.00 2.33 H new ATOM 0 HE22 GLN A 65 -1.239 -8.527 -13.491 1.00 2.33 H new ATOM 1024 N MET A 66 5.258 -8.519 -9.654 1.00 2.34 N ATOM 1025 CA MET A 66 6.485 -7.751 -9.689 1.00 2.31 C ATOM 1026 C MET A 66 7.563 -8.487 -8.925 1.00 2.15 C ATOM 1027 O MET A 66 7.273 -9.139 -7.933 1.00 2.00 O ATOM 1028 CB MET A 66 6.300 -6.399 -9.049 1.00 2.00 C ATOM 1029 CG MET A 66 5.240 -5.575 -9.781 1.00 2.45 C ATOM 1030 SD MET A 66 4.867 -3.981 -8.998 1.00 3.75 S ATOM 1031 CE MET A 66 6.489 -3.216 -9.148 1.00 2.08 C ATOM 0 H MET A 66 4.792 -8.525 -8.747 1.00 2.34 H new ATOM 0 HA MET A 66 6.767 -7.620 -10.734 1.00 2.31 H new ATOM 0 HB2 MET A 66 6.009 -6.525 -8.006 1.00 2.00 H new ATOM 0 HB3 MET A 66 7.248 -5.861 -9.052 1.00 2.00 H new ATOM 0 HG2 MET A 66 5.576 -5.396 -10.802 1.00 2.45 H new ATOM 0 HG3 MET A 66 4.322 -6.159 -9.846 1.00 2.45 H new ATOM 0 HE1 MET A 66 6.373 -2.165 -9.412 1.00 2.08 H new ATOM 0 HE2 MET A 66 7.018 -3.295 -8.198 1.00 2.08 H new ATOM 0 HE3 MET A 66 7.060 -3.724 -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 -8.965 -8.741 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 -6.698 -8.276 1.00 2.00 O ATOM 1045 CB SER A 67 10.914 -9.512 -9.778 1.00 2.00 C ATOM 1046 OG SER A 67 11.177 -8.682 -10.900 1.00 2.05 O ATOM 0 H SER A 67 9.023 -7.973 -10.307 1.00 2.30 H new ATOM 0 HA SER A 67 9.665 -9.766 -8.066 1.00 2.08 H new ATOM 0 HB2 SER A 67 11.862 -9.734 -9.289 1.00 2.00 H new ATOM 0 HB3 SER A 67 10.513 -10.458 -10.141 1.00 2.00 H new ATOM 0 HG SER A 67 11.214 -9.231 -11.711 1.00 2.05 H new ATOM 1052 N VAL A 68 11.384 -8.201 -6.871 1.00 2.00 N ATOM 1053 CA VAL A 68 12.050 -7.203 -6.057 1.00 2.47 C ATOM 1054 C VAL A 68 12.979 -6.371 -6.923 1.00 2.15 C ATOM 1055 O VAL A 68 13.736 -6.889 -7.756 1.00 2.01 O ATOM 1056 CB VAL A 68 12.836 -7.900 -4.911 1.00 2.10 C ATOM 1057 CG1 VAL A 68 13.654 -6.894 -4.088 1.00 2.14 C ATOM 1058 CG2 VAL A 68 11.834 -8.651 -4.090 1.00 2.00 C ATOM 0 H VAL A 68 11.536 -9.161 -6.563 1.00 2.00 H new ATOM 0 HA VAL A 68 11.308 -6.540 -5.612 1.00 2.47 H new ATOM 0 HB VAL A 68 13.576 -8.593 -5.311 1.00 2.10 H new ATOM 0 HG11 VAL A 68 14.189 -7.420 -3.297 1.00 2.14 H new ATOM 0 HG12 VAL A 68 14.370 -6.390 -4.737 1.00 2.14 H new ATOM 0 HG13 VAL A 68 12.985 -6.157 -3.645 1.00 2.14 H new ATOM 0 HG21 VAL A 68 12.342 -9.158 -3.270 1.00 2.00 H new ATOM 0 HG22 VAL A 68 11.099 -7.955 -3.686 1.00 2.00 H new ATOM 0 HG23 VAL A 68 11.330 -9.388 -4.716 1.00 2.00 H new ATOM 1068 N GLY A 69 12.819 -5.061 -6.758 1.00 2.40 N ATOM 1069 CA GLY A 69 13.586 -4.057 -7.456 1.00 2.09 C ATOM 1070 C GLY A 69 12.806 -3.383 -8.577 1.00 2.24 C ATOM 1071 O GLY A 69 13.249 -2.349 -9.098 1.00 2.61 O ATOM 0 H GLY A 69 12.131 -4.667 -6.116 1.00 2.40 H new ATOM 0 HA2 GLY A 69 13.916 -3.300 -6.744 1.00 2.09 H new ATOM 0 HA3 GLY A 69 14.483 -4.517 -7.871 1.00 2.09 H new ATOM 1075 N GLN A 70 11.648 -3.947 -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 -9.827 1.00 2.00 C ATOM 1078 O GLN A 70 9.586 -2.111 -8.729 1.00 2.00 O ATOM 1079 CB GLN A 70 10.183 -4.611 -10.671 1.00 4.50 C ATOM 1080 CG GLN A 70 9.684 -4.383 -12.081 1.00 5.27 C ATOM 1081 CD GLN A 70 8.740 -5.487 -12.579 1.00 4.45 C ATOM 1082 OE1 GLN A 70 8.034 -5.348 -13.583 1.00 6.53 O ATOM 1083 NE2 GLN A 70 8.715 -6.649 -11.951 1.00 2.24 N ATOM 0 H GLN A 70 11.190 -4.717 -8.469 1.00 2.82 H new ATOM 0 HA GLN A 70 11.694 -3.120 -10.847 1.00 2.29 H new ATOM 0 HB2 GLN A 70 10.803 -5.508 -10.656 1.00 4.50 H new ATOM 0 HB3 GLN A 70 9.329 -4.803 -10.021 1.00 4.50 H new ATOM 0 HG2 GLN A 70 9.166 -3.425 -12.125 1.00 5.27 H new ATOM 0 HG3 GLN A 70 10.538 -4.314 -12.754 1.00 5.27 H new ATOM 0 HE21 GLN A 70 9.288 -6.792 -11.119 1.00 2.24 H new ATOM 0 HE22 GLN A 70 8.123 -7.404 -12.298 1.00 2.24 H new ATOM 1092 N ARG A 71 10.051 -1.409 -10.820 1.00 4.23 N ATOM 1093 CA ARG A 71 9.249 -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 8.894 -0.623 -13.093 1.00 2.00 O ATOM 1096 CB ARG A 71 10.127 1.061 -10.842 1.00 2.11 C ATOM 1097 CG ARG A 71 9.240 2.332 -10.797 1.00 5.11 C ATOM 1098 CD ARG A 71 10.070 3.485 -10.257 1.00 8.54 C ATOM 1099 NE ARG A 71 9.327 4.730 -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 6.002 -9.484 1.00 12.09 N ATOM 1102 NH2 ARG A 71 9.071 6.975 -10.169 1.00 12.36 N ATOM 0 H ARG A 71 10.573 -1.523 -11.689 1.00 4.23 H new ATOM 0 HA ARG A 71 8.680 -0.081 -9.848 1.00 3.45 H new ATOM 0 HB2 ARG A 71 10.831 1.068 -10.010 1.00 2.11 H new ATOM 0 HB3 ARG A 71 10.717 1.050 -11.759 1.00 2.11 H new ATOM 0 HG2 ARG A 71 8.867 2.569 -11.794 1.00 5.11 H new ATOM 0 HG3 ARG A 71 8.369 2.163 -10.163 1.00 5.11 H new ATOM 0 HD2 ARG A 71 10.314 3.311 -9.209 1.00 8.54 H new ATOM 0 HD3 ARG A 71 11.014 3.551 -10.798 1.00 8.54 H new ATOM 0 HE ARG A 71 8.388 4.705 -10.795 1.00 9.92 H new ATOM 0 HH11 ARG A 71 11.656 5.169 -9.361 1.00 12.09 H new ATOM 0 HH12 ARG A 71 11.439 6.915 -9.205 1.00 12.09 H new ATOM 0 HH21 ARG A 71 8.133 6.885 -10.561 1.00 12.36 H new ATOM 0 HH22 ARG A 71 9.423 7.892 -9.892 1.00 12.36 H new ATOM 1116 N ALA A 72 7.078 -0.236 -11.737 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 6.710 -0.066 -10.801 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 -13.651 1.00 5.73 N ATOM 1127 CA LYS A 73 2.885 1.516 -13.651 1.00 4.79 C ATOM 1128 C LYS A 73 1.723 0.532 -13.734 1.00 5.06 C ATOM 1129 O LYS A 73 1.590 -0.288 -14.643 1.00 4.43 O ATOM 1130 CB LYS A 73 2.941 2.434 -14.836 1.00 7.22 C ATOM 1131 CG LYS A 73 1.771 3.386 -15.019 1.00 9.20 C ATOM 1132 CD LYS A 73 1.997 3.828 -16.439 1.00 11.07 C ATOM 1133 CE LYS A 73 0.968 4.802 -16.945 1.00 14.75 C ATOM 1134 NZ LYS A 73 1.064 4.916 -18.411 1.00 16.57 N ATOM 0 H LYS A 73 4.406 0.445 -14.578 1.00 5.73 H new ATOM 0 HA LYS A 73 2.744 2.106 -12.745 1.00 4.79 H new ATOM 0 HB2 LYS A 73 3.853 3.026 -14.765 1.00 7.22 H new ATOM 0 HB3 LYS A 73 3.027 1.824 -15.735 1.00 7.22 H new ATOM 0 HG2 LYS A 73 0.809 2.891 -14.887 1.00 9.20 H new ATOM 0 HG3 LYS A 73 1.800 4.219 -14.316 1.00 9.20 H new ATOM 0 HD2 LYS A 73 2.984 4.285 -16.514 1.00 11.07 H new ATOM 0 HD3 LYS A 73 2.002 2.951 -17.086 1.00 11.07 H new ATOM 0 HE2 LYS A 73 -0.031 4.469 -16.662 1.00 14.75 H new ATOM 0 HE3 LYS A 73 1.121 5.778 -16.485 1.00 14.75 H new ATOM 0 HZ1 LYS A 73 0.259 5.468 -18.770 1.00 16.57 H new ATOM 0 HZ2 LYS A 73 1.952 5.394 -18.665 1.00 16.57 H new ATOM 0 HZ3 LYS A 73 1.049 3.966 -18.835 1.00 16.57 H new ATOM 1148 N LEU A 74 0.820 0.567 -12.771 1.00 5.22 N ATOM 1149 CA LEU A 74 -0.290 -0.349 -12.688 1.00 4.39 C ATOM 1150 C LEU A 74 -1.529 0.429 -13.087 1.00 3.32 C ATOM 1151 O LEU A 74 -1.838 1.412 -12.400 1.00 4.92 O ATOM 1152 CB LEU A 74 -0.304 -0.843 -11.230 1.00 5.27 C ATOM 1153 CG LEU A 74 0.317 -2.216 -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 -2.172 -9.299 1.00 5.61 C ATOM 0 H LEU A 74 0.843 1.248 -12.012 1.00 5.22 H new ATOM 0 HA LEU A 74 -0.231 -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 -10.915 1.00 5.27 H new ATOM 0 HG LEU A 74 -0.330 -3.054 -11.072 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 2.335 -1.758 -11.414 1.00 2.84 H new ATOM 0 HD21 LEU A 74 0.905 -3.110 -8.950 1.00 5.61 H new ATOM 0 HD22 LEU A 74 1.130 -1.346 -9.025 1.00 5.61 H new ATOM 0 HD23 LEU A 74 -0.504 -2.028 -8.837 1.00 5.61 H new ATOM 1167 N THR A 75 -2.210 0.127 -14.195 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 -4.606 -0.105 -14.084 1.00 5.53 C ATOM 1170 O THR A 75 -4.667 -1.261 -14.543 1.00 2.15 O ATOM 1171 CB THR A 75 -3.475 1.061 -16.067 1.00 4.54 C ATOM 1172 OG1 THR A 75 -2.308 1.823 -16.331 1.00 5.76 O ATOM 1173 CG2 THR A 75 -4.714 1.765 -16.572 1.00 3.49 C ATOM 0 H THR A 75 -1.924 -0.588 -14.864 1.00 2.21 H new ATOM 0 HA THR A 75 -3.569 1.799 -14.062 1.00 3.18 H new ATOM 0 HB THR A 75 -3.487 0.106 -16.593 1.00 4.54 H new ATOM 0 HG1 THR A 75 -1.561 1.220 -16.527 1.00 5.76 H new ATOM 0 HG21 THR A 75 -4.645 1.892 -17.652 1.00 3.49 H new ATOM 0 HG22 THR A 75 -5.594 1.169 -16.332 1.00 3.49 H new ATOM 0 HG23 THR A 75 -4.797 2.742 -16.096 1.00 3.49 H new ATOM 1181 N ILE A 76 -5.468 0.372 -13.182 1.00 2.00 N ATOM 1182 CA ILE A 76 -6.421 -0.456 -12.477 1.00 2.17 C ATOM 1183 C ILE A 76 -7.836 0.038 -12.802 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 -6.163 -0.335 -10.950 1.00 2.04 C ATOM 1186 CG1 ILE A 76 -4.702 -0.651 -10.651 1.00 2.00 C ATOM 1187 CG2 ILE A 76 -7.156 -1.191 -10.184 1.00 2.00 C ATOM 1188 CD1 ILE A 76 -4.298 -0.514 -9.187 1.00 2.00 C ATOM 0 H ILE A 76 -5.516 1.358 -12.925 1.00 2.00 H new ATOM 0 HA ILE A 76 -6.317 -1.498 -12.781 1.00 2.17 H new ATOM 0 HB ILE A 76 -6.330 0.687 -10.610 1.00 2.04 H new ATOM 0 HG12 ILE A 76 -4.493 -1.670 -10.976 1.00 2.00 H new ATOM 0 HG13 ILE A 76 -4.074 0.009 -11.249 1.00 2.00 H new ATOM 0 HG21 ILE A 76 -6.967 -1.099 -9.115 1.00 2.00 H new ATOM 0 HG22 ILE A 76 -8.170 -0.856 -10.403 1.00 2.00 H new ATOM 0 HG23 ILE A 76 -7.045 -2.233 -10.484 1.00 2.00 H new ATOM 0 HD11 ILE A 76 -3.242 -0.760 -9.077 1.00 2.00 H new ATOM 0 HD12 ILE A 76 -4.469 0.511 -8.857 1.00 2.00 H new ATOM 0 HD13 ILE A 76 -4.894 -1.195 -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 -10.055 -0.537 -13.644 1.00 2.58 C ATOM 1202 C SER A 77 -10.842 -0.274 -12.364 1.00 3.63 C ATOM 1203 O SER A 77 -10.536 -0.926 -11.350 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 -10.819 -2.946 -13.674 1.00 4.94 O ATOM 0 H SER A 77 -8.405 -1.817 -13.571 1.00 2.00 H new ATOM 0 HA SER A 77 -10.054 0.357 -14.267 1.00 2.58 H new ATOM 0 HB2 SER A 77 -11.735 -1.391 -14.674 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 -11.704 -3.342 -13.817 1.00 4.94 H new ATOM 1211 N PRO A 78 -11.933 0.512 -12.351 1.00 2.00 N ATOM 1212 CA PRO A 78 -12.679 0.816 -11.150 1.00 2.12 C ATOM 1213 C PRO A 78 -13.163 -0.389 -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 1.754 -13.109 1.00 2.00 C ATOM 1217 CD PRO A 78 -12.374 1.344 -13.470 1.00 2.04 C ATOM 0 HA PRO A 78 -12.022 1.303 -10.429 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 2.747 -11.185 1.00 2.04 H new ATOM 0 HG2 PRO A 78 -14.519 1.061 -13.529 1.00 2.00 H new ATOM 0 HG3 PRO A 78 -14.026 2.743 -13.502 1.00 2.00 H new ATOM 0 HD2 PRO A 78 -12.349 0.791 -14.409 1.00 2.04 H new ATOM 0 HD3 PRO A 78 -11.729 2.214 -13.595 1.00 2.04 H new ATOM 1225 N ASP A 79 -13.536 -1.466 -11.077 1.00 4.75 N ATOM 1226 CA ASP A 79 -14.027 -2.642 -10.391 1.00 5.91 C ATOM 1227 C ASP A 79 -12.957 -3.392 -9.611 1.00 6.52 C ATOM 1228 O ASP A 79 -13.279 -4.281 -8.824 1.00 5.97 O ATOM 1229 CB ASP A 79 -14.713 -3.597 -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 -13.421 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 -13.506 -1.541 -12.094 1.00 4.75 H new ATOM 0 HA ASP A 79 -14.747 -2.292 -9.652 1.00 5.91 H new ATOM 0 HB2 ASP A 79 -15.177 -4.407 -10.853 1.00 8.82 H new ATOM 0 HB3 ASP A 79 -15.518 -3.041 -11.897 1.00 8.82 H new ATOM 1237 N TYR A 80 -11.683 -3.051 -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 -2.543 -8.259 1.00 3.95 C ATOM 1240 O TYR A 80 -8.805 -2.670 -7.752 1.00 2.27 O ATOM 1241 CB TYR A 80 -9.457 -3.858 -10.234 1.00 5.38 C ATOM 1242 CG TYR A 80 -9.612 -5.253 -10.728 1.00 9.01 C ATOM 1243 CD1 TYR A 80 -10.725 -5.617 -11.448 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 -7.431 -10.905 1.00 10.74 C ATOM 1247 CZ TYR A 80 -9.817 -7.801 -11.641 1.00 11.52 C ATOM 1248 OH TYR A 80 -9.867 -9.082 -12.160 1.00 10.51 O ATOM 0 H TYR A 80 -11.458 -2.382 -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 -9.534 -3.159 -11.067 1.00 5.38 H new ATOM 0 HB3 TYR A 80 -8.467 -3.726 -9.798 1.00 5.38 H new ATOM 0 HD1 TYR A 80 -11.507 -4.898 -11.644 1.00 9.02 H new ATOM 0 HD2 TYR A 80 -7.741 -5.825 -9.878 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 -7.922 -8.148 -10.694 1.00 10.74 H new ATOM 0 HH TYR A 80 -9.075 -9.583 -11.872 1.00 10.51 H new ATOM 1258 N ALA A 81 -10.669 -1.495 -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 -11.414 -0.057 -6.267 1.00 2.54 C ATOM 1261 O ALA A 81 -11.865 -0.950 -5.550 1.00 2.00 O ATOM 1262 CB ALA A 81 -9.764 0.736 -8.049 1.00 2.00 C ATOM 0 H ALA A 81 -11.609 -1.365 -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 -9.420 1.569 -7.436 1.00 2.00 H new ATOM 0 HB2 ALA A 81 -8.949 0.394 -8.687 1.00 2.00 H new ATOM 0 HB3 ALA A 81 -10.598 1.063 -8.670 1.00 2.00 H new ATOM 1268 N TYR A 82 -12.009 1.158 -6.325 1.00 3.23 N ATOM 1269 CA TYR A 82 -13.075 1.619 -5.426 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 -15.496 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 -11.402 3.033 -4.152 1.00 2.13 C ATOM 1274 CD1 TYR A 82 -11.393 2.502 -2.856 1.00 3.05 C ATOM 1275 CD2 TYR A 82 -10.230 3.522 -4.716 1.00 3.38 C ATOM 1276 CE1 TYR A 82 -10.218 2.447 -2.123 1.00 3.83 C ATOM 1277 CE2 TYR A 82 -9.059 3.466 -3.990 1.00 3.32 C ATOM 1278 CZ TYR A 82 -9.060 2.933 -2.713 1.00 2.65 C ATOM 1279 OH TYR A 82 -7.863 2.886 -2.029 1.00 6.84 O ATOM 0 H TYR A 82 -11.748 1.858 -7.020 1.00 3.23 H new ATOM 0 HA TYR A 82 -13.154 0.921 -4.593 1.00 2.24 H new ATOM 0 HB2 TYR A 82 -12.529 3.661 -5.856 1.00 3.55 H new ATOM 0 HB3 TYR A 82 -13.480 3.471 -4.396 1.00 3.55 H new ATOM 0 HD1 TYR A 82 -12.311 2.132 -2.424 1.00 3.05 H new ATOM 0 HD2 TYR A 82 -10.236 3.941 -5.711 1.00 3.38 H new ATOM 0 HE1 TYR A 82 -10.204 2.038 -1.123 1.00 3.83 H new ATOM 0 HE2 TYR A 82 -8.140 3.838 -4.418 1.00 3.32 H new ATOM 0 HH TYR A 82 -7.152 3.266 -2.587 1.00 6.84 H new ATOM 1289 N GLY A 83 -14.626 1.075 -7.265 1.00 2.04 N ATOM 1290 CA GLY A 83 -15.890 0.820 -7.906 1.00 3.96 C ATOM 1291 C GLY A 83 -16.707 2.086 -8.017 1.00 5.99 C ATOM 1292 O GLY A 83 -16.251 3.163 -8.404 1.00 2.62 O ATOM 0 H GLY A 83 -13.822 0.824 -7.840 1.00 2.04 H new ATOM 0 HA2 GLY A 83 -15.721 0.404 -8.899 1.00 3.96 H new ATOM 0 HA3 GLY A 83 -16.445 0.073 -7.338 1.00 3.96 H new ATOM 1296 N ALA A 84 -17.977 1.875 -7.712 1.00 7.64 N ATOM 1297 CA ALA A 84 -18.941 2.958 -7.786 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 4.941 -6.608 1.00 10.11 O ATOM 1300 CB ALA A 84 -20.323 2.383 -7.960 1.00 9.35 C ATOM 0 H ALA A 84 -18.360 0.977 -7.415 1.00 7.64 H new ATOM 0 HA ALA A 84 -18.690 3.590 -8.638 1.00 8.23 H new ATOM 0 HB1 ALA A 84 -21.050 3.193 -8.016 1.00 9.35 H new ATOM 0 HB2 ALA A 84 -20.361 1.798 -8.879 1.00 9.35 H new ATOM 0 HB3 ALA A 84 -20.560 1.741 -7.111 1.00 9.35 H new ATOM 1306 N THR A 85 -18.345 3.351 -5.398 1.00 10.35 N ATOM 1307 CA THR A 85 -18.237 4.235 -4.249 1.00 11.80 C ATOM 1308 C THR A 85 -17.171 5.307 -4.434 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 2.248 -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 2.407 -5.263 1.00 10.35 H new ATOM 0 HA THR A 85 -19.194 4.743 -4.132 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 -18.505 1.691 -2.260 1.00 13.76 H new ATOM 0 HG21 THR A 85 -17.942 3.481 -0.883 1.00 12.85 H new ATOM 0 HG22 THR A 85 -17.621 5.040 -1.680 1.00 12.85 H new ATOM 0 HG23 THR A 85 -19.265 4.358 -1.688 1.00 12.85 H new ATOM 1320 N GLY A 86 -16.008 4.906 -4.952 1.00 9.98 N ATOM 1321 CA GLY A 86 -14.884 5.840 -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 -2.643 1.00 6.65 O ATOM 0 H GLY A 86 -15.824 3.987 -5.355 1.00 9.98 H new ATOM 0 HA2 GLY A 86 -14.094 5.484 -5.618 1.00 8.62 H new ATOM 0 HA3 GLY A 86 -15.198 6.815 -5.331 1.00 8.62 H new ATOM 1327 N HIS A 87 -13.496 6.893 -3.201 1.00 6.67 N ATOM 1328 CA HIS A 87 -13.029 7.006 -1.827 1.00 8.71 C ATOM 1329 C HIS A 87 -13.473 8.393 -1.422 1.00 5.88 C ATOM 1330 O HIS A 87 -12.932 9.340 -2.024 1.00 6.76 O ATOM 1331 CB HIS A 87 -11.514 6.917 -1.744 1.00 10.42 C ATOM 1332 CG HIS A 87 -10.996 6.848 -0.308 1.00 14.33 C ATOM 1333 ND1 HIS A 87 -10.787 7.840 0.576 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 -10.359 7.311 1.698 1.00 15.05 C ATOM 1336 NE2 HIS A 87 -10.292 6.003 1.532 1.00 15.30 N ATOM 0 H HIS A 87 -13.102 7.571 -3.853 1.00 6.67 H new ATOM 0 HA HIS A 87 -13.419 6.209 -1.193 1.00 8.71 H new ATOM 0 HB2 HIS A 87 -11.177 6.035 -2.288 1.00 10.42 H new ATOM 0 HB3 HIS A 87 -11.077 7.784 -2.240 1.00 10.42 H new ATOM 0 HD2 HIS A 87 -10.708 4.671 -0.091 1.00 14.59 H new ATOM 0 HE1 HIS A 87 -10.106 7.851 2.599 1.00 15.05 H new ATOM 0 HE2 HIS A 87 -9.989 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 -15.087 9.863 -0.184 1.00 10.44 C ATOM 1347 C PRO A 88 -14.084 11.018 -0.120 1.00 9.91 C ATOM 1348 O PRO A 88 -13.012 10.882 0.492 1.00 11.41 O ATOM 1349 CB PRO A 88 -15.854 9.613 1.124 1.00 10.62 C ATOM 1350 CG PRO A 88 -15.098 8.494 1.791 1.00 10.41 C ATOM 1351 CD PRO A 88 -14.719 7.611 0.598 1.00 9.40 C ATOM 0 HA PRO A 88 -15.773 10.167 -0.974 1.00 10.44 H new ATOM 0 HB2 PRO A 88 -15.876 10.506 1.749 1.00 10.62 H new ATOM 0 HB3 PRO A 88 -16.890 9.333 0.931 1.00 10.62 H new ATOM 0 HG2 PRO A 88 -14.220 8.857 2.326 1.00 10.41 H new ATOM 0 HG3 PRO A 88 -15.714 7.960 2.515 1.00 10.41 H new ATOM 0 HD2 PRO A 88 -13.866 6.971 0.825 1.00 9.40 H new ATOM 0 HD3 PRO A 88 -15.540 6.957 0.303 1.00 9.40 H new ATOM 1359 N GLY A 89 -14.366 11.975 -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 -12.266 13.004 -2.064 1.00 12.92 C ATOM 1362 O GLY A 89 -11.855 13.989 -2.693 1.00 14.20 O ATOM 0 H GLY A 89 -15.178 11.945 -1.633 1.00 10.00 H new ATOM 0 HA2 GLY A 89 -14.154 13.937 -1.631 1.00 10.18 H new ATOM 0 HA3 GLY A 89 -13.230 13.501 -0.208 1.00 10.18 H new ATOM 1366 N ILE A 90 -11.644 11.815 -2.188 1.00 11.06 N ATOM 1367 CA ILE A 90 -10.394 11.677 -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 -9.983 11.587 -5.282 1.00 7.46 O ATOM 1370 CB ILE A 90 -9.401 10.846 -2.047 1.00 7.49 C ATOM 1371 CG1 ILE A 90 -9.161 11.606 -0.772 1.00 6.98 C ATOM 1372 CG2 ILE A 90 -8.021 10.687 -2.685 1.00 7.67 C ATOM 1373 CD1 ILE A 90 -8.614 10.748 0.361 1.00 8.17 C ATOM 0 H ILE A 90 -11.992 10.946 -1.783 1.00 11.06 H new ATOM 0 HA ILE A 90 -10.016 12.681 -3.122 1.00 8.16 H new ATOM 0 HB ILE A 90 -9.853 9.864 -1.907 1.00 7.49 H new ATOM 0 HG12 ILE A 90 -8.462 12.418 -0.970 1.00 6.98 H new ATOM 0 HG13 ILE A 90 -10.097 12.062 -0.450 1.00 6.98 H new ATOM 0 HG21 ILE A 90 -7.380 10.103 -2.025 1.00 7.67 H new ATOM 0 HG22 ILE A 90 -8.119 10.175 -3.642 1.00 7.67 H new ATOM 0 HG23 ILE A 90 -7.578 11.670 -2.844 1.00 7.67 H new ATOM 0 HD11 ILE A 90 -8.467 11.366 1.247 1.00 8.17 H new ATOM 0 HD12 ILE A 90 -9.322 9.951 0.588 1.00 8.17 H new ATOM 0 HD13 ILE A 90 -7.661 10.312 0.060 1.00 8.17 H new ATOM 1385 N ILE A 91 -11.220 9.940 -4.424 1.00 4.73 N ATOM 1386 CA ILE A 91 -11.322 9.247 -5.711 1.00 6.29 C ATOM 1387 C ILE A 91 -12.790 9.387 -6.063 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 -5.589 1.00 6.01 C ATOM 1390 CG1 ILE A 91 -9.597 7.523 -4.953 1.00 6.44 C ATOM 1391 CG2 ILE A 91 -10.997 7.095 -6.958 1.00 4.02 C ATOM 1392 CD1 ILE A 91 -8.430 8.135 -5.737 1.00 8.01 C ATOM 0 H ILE A 91 -11.710 9.483 -3.654 1.00 4.73 H new ATOM 0 HA ILE A 91 -10.637 9.661 -6.451 1.00 6.29 H new ATOM 0 HB ILE A 91 -11.706 7.259 -4.943 1.00 6.01 H new ATOM 0 HG12 ILE A 91 -9.608 7.951 -3.951 1.00 6.44 H new ATOM 0 HG13 ILE A 91 -9.421 6.453 -4.841 1.00 6.44 H new ATOM 0 HG21 ILE A 91 -10.749 6.037 -6.874 1.00 4.02 H new ATOM 0 HG22 ILE A 91 -11.994 7.201 -7.386 1.00 4.02 H new ATOM 0 HG23 ILE A 91 -10.271 7.588 -7.604 1.00 4.02 H new ATOM 0 HD11 ILE A 91 -7.496 7.939 -5.211 1.00 8.01 H new ATOM 0 HD12 ILE A 91 -8.387 7.690 -6.731 1.00 8.01 H new ATOM 0 HD13 ILE A 91 -8.577 9.211 -5.827 1.00 8.01 H new ATOM 1404 N PRO A 92 -13.201 9.792 -7.279 1.00 4.17 N ATOM 1405 CA PRO A 92 -14.598 9.788 -7.749 1.00 5.55 C ATOM 1406 C PRO A 92 -15.164 8.385 -7.909 1.00 4.42 C ATOM 1407 O PRO A 92 -14.391 7.428 -8.056 1.00 5.15 O ATOM 1408 CB PRO A 92 -14.555 10.521 -9.059 1.00 6.08 C ATOM 1409 CG PRO A 92 -13.195 11.175 -9.098 1.00 6.52 C ATOM 1410 CD PRO A 92 -12.328 10.191 -8.370 1.00 3.94 C ATOM 0 HA PRO A 92 -15.262 10.262 -7.026 1.00 5.55 H new ATOM 0 HB2 PRO A 92 -14.688 9.838 -9.898 1.00 6.08 H new ATOM 0 HB3 PRO A 92 -15.351 11.263 -9.122 1.00 6.08 H new ATOM 0 HG2 PRO A 92 -12.853 11.335 -10.121 1.00 6.52 H new ATOM 0 HG3 PRO A 92 -13.201 12.148 -8.608 1.00 6.52 H new ATOM 0 HD2 PRO A 92 -12.046 9.347 -9.000 1.00 3.94 H new ATOM 0 HD3 PRO A 92 -11.404 10.644 -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 -8.510 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 -10.711 1.00 2.50 O ATOM 1422 CB PRO A 93 -18.585 7.186 -8.538 1.00 4.57 C ATOM 1423 CG PRO A 93 -18.841 8.455 -7.758 1.00 2.86 C ATOM 1424 CD PRO A 93 -17.524 9.223 -7.751 1.00 3.66 C ATOM 0 HA PRO A 93 -16.828 6.106 -7.884 1.00 2.73 H new ATOM 0 HB2 PRO A 93 -18.945 7.280 -9.563 1.00 4.57 H new ATOM 0 HB3 PRO A 93 -19.112 6.343 -8.092 1.00 4.57 H new ATOM 0 HG2 PRO A 93 -19.633 9.044 -8.222 1.00 2.86 H new ATOM 0 HG3 PRO A 93 -19.165 8.229 -6.742 1.00 2.86 H new ATOM 0 HD2 PRO A 93 -17.510 9.991 -8.524 1.00 3.66 H new ATOM 0 HD3 PRO A 93 -17.364 9.727 -6.798 1.00 3.66 H new ATOM 1432 N HIS A 94 -16.377 5.352 -10.135 1.00 2.02 N ATOM 1433 CA HIS A 94 -16.033 4.764 -11.424 1.00 2.29 C ATOM 1434 C HIS A 94 -14.680 5.207 -11.953 1.00 3.54 C ATOM 1435 O HIS A 94 -14.517 5.201 -13.160 1.00 5.36 O ATOM 1436 CB HIS A 94 -17.171 5.098 -12.461 1.00 2.13 C ATOM 1437 CG HIS A 94 -18.499 4.535 -11.980 1.00 3.62 C ATOM 1438 ND1 HIS A 94 -18.836 3.260 -11.889 1.00 5.90 N ATOM 1439 CD2 HIS A 94 -19.554 5.283 -11.500 1.00 6.00 C ATOM 1440 CE1 HIS A 94 -20.045 3.215 -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 -16.488 4.656 -9.398 1.00 2.02 H new ATOM 0 HA HIS A 94 -15.953 3.687 -11.279 1.00 2.29 H new ATOM 0 HB2 HIS A 94 -17.250 6.177 -12.590 1.00 2.13 H new ATOM 0 HB3 HIS A 94 -16.921 4.678 -13.435 1.00 2.13 H new ATOM 0 HD2 HIS A 94 -19.607 6.360 -11.435 1.00 6.00 H new ATOM 0 HE1 HIS A 94 -20.598 2.310 -11.165 1.00 7.29 H new ATOM 0 HE2 HIS A 94 -21.386 4.670 -10.743 1.00 7.42 H new ATOM 1450 N ALA A 95 -13.716 5.579 -11.104 1.00 2.02 N ATOM 1451 CA ALA A 95 -12.408 6.046 -11.553 1.00 2.07 C ATOM 1452 C ALA A 95 -11.360 4.972 -11.928 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 -11.829 6.901 -10.456 1.00 2.15 C ATOM 0 H ALA A 95 -13.824 5.564 -10.090 1.00 2.02 H new ATOM 0 HA ALA A 95 -12.603 6.572 -12.487 1.00 2.07 H new ATOM 0 HB1 ALA A 95 -10.848 7.268 -10.760 1.00 2.15 H new ATOM 0 HB2 ALA A 95 -12.490 7.747 -10.267 1.00 2.15 H new ATOM 0 HB3 ALA A 95 -11.729 6.308 -9.547 1.00 2.15 H new ATOM 1460 N THR A 96 -10.652 5.044 -13.069 1.00 2.15 N ATOM 1461 CA THR A 96 -9.498 4.199 -13.354 1.00 2.05 C ATOM 1462 C THR A 96 -8.303 4.832 -12.613 1.00 2.64 C ATOM 1463 O THR A 96 -8.054 6.033 -12.714 1.00 2.00 O ATOM 1464 CB THR A 96 -9.192 4.165 -14.885 1.00 3.72 C ATOM 1465 OG1 THR A 96 -10.249 3.433 -15.528 1.00 4.61 O ATOM 1466 CG2 THR A 96 -7.838 3.566 -15.183 1.00 2.33 C ATOM 0 H THR A 96 -10.873 5.698 -13.820 1.00 2.15 H new ATOM 0 HA THR A 96 -9.688 3.175 -13.032 1.00 2.05 H new ATOM 0 HB THR A 96 -9.152 5.183 -15.272 1.00 3.72 H new ATOM 0 HG1 THR A 96 -10.082 3.398 -16.493 1.00 4.61 H new ATOM 0 HG21 THR A 96 -7.670 3.564 -16.260 1.00 2.33 H new ATOM 0 HG22 THR A 96 -7.063 4.158 -14.696 1.00 2.33 H new ATOM 0 HG23 THR A 96 -7.802 2.543 -14.808 1.00 2.33 H new ATOM 1474 N LEU A 97 -7.521 4.040 -11.883 1.00 2.19 N ATOM 1475 CA LEU A 97 -6.417 4.565 -11.108 1.00 2.07 C ATOM 1476 C LEU A 97 -5.081 4.163 -11.746 1.00 2.05 C ATOM 1477 O LEU A 97 -4.965 3.114 -12.382 1.00 5.34 O ATOM 1478 CB LEU A 97 -6.565 4.023 -9.679 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 -7.755 3.831 -7.549 1.00 2.15 C ATOM 1481 CD2 LEU A 97 -8.027 5.926 -8.911 1.00 2.08 C ATOM 0 H LEU A 97 -7.638 3.029 -11.817 1.00 2.19 H new ATOM 0 HA LEU A 97 -6.430 5.655 -11.085 1.00 2.07 H new ATOM 0 HB2 LEU A 97 -6.501 2.936 -9.719 1.00 2.00 H new ATOM 0 HB3 LEU A 97 -5.715 4.371 -9.093 1.00 2.00 H new ATOM 0 HG LEU A 97 -8.706 3.981 -9.450 1.00 2.82 H new ATOM 0 HD11 LEU A 97 -8.659 4.087 -6.997 1.00 2.15 H new ATOM 0 HD12 LEU A 97 -7.658 2.747 -7.603 1.00 2.15 H new ATOM 0 HD13 LEU A 97 -6.887 4.248 -7.037 1.00 2.15 H new ATOM 0 HD21 LEU A 97 -8.945 6.170 -8.375 1.00 2.08 H new ATOM 0 HD22 LEU A 97 -7.179 6.389 -8.407 1.00 2.08 H new ATOM 0 HD23 LEU A 97 -8.092 6.303 -9.932 1.00 2.08 H new ATOM 1493 N VAL A 98 -4.080 5.013 -11.639 1.00 2.00 N ATOM 1494 CA VAL A 98 -2.815 4.739 -12.232 1.00 3.65 C ATOM 1495 C VAL A 98 -1.850 4.811 -11.071 1.00 2.12 C ATOM 1496 O VAL A 98 -1.804 5.824 -10.387 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 -13.819 1.00 2.09 C ATOM 1499 CG2 VAL A 98 -3.461 5.727 -14.511 1.00 2.11 C ATOM 0 H VAL A 98 -4.133 5.901 -11.141 1.00 2.00 H new ATOM 0 HA VAL A 98 -2.773 3.775 -12.738 1.00 3.65 H new ATOM 0 HB VAL A 98 -2.579 6.786 -12.874 1.00 3.31 H new ATOM 0 HG11 VAL A 98 -0.825 6.223 -14.588 1.00 2.09 H new ATOM 0 HG12 VAL A 98 -0.387 5.568 -12.992 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 -3.189 6.488 -15.243 1.00 2.11 H new ATOM 0 HG22 VAL A 98 -3.403 4.742 -14.973 1.00 2.11 H new ATOM 0 HG23 VAL A 98 -4.479 5.905 -14.164 1.00 2.11 H new ATOM 1509 N PHE A 99 -1.125 3.743 -10.753 1.00 4.42 N ATOM 1510 CA PHE A 99 -0.165 3.796 -9.662 1.00 2.41 C ATOM 1511 C PHE A 99 1.249 3.569 -10.212 1.00 2.00 C ATOM 1512 O PHE A 99 1.461 2.710 -11.063 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 -7.685 1.00 2.40 C ATOM 1515 CD1 PHE A 99 -2.883 2.651 -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 -3.883 2.933 -7.114 1.00 2.02 C ATOM 1518 CE2 PHE A 99 -2.304 3.913 -5.601 1.00 2.30 C ATOM 1519 CZ PHE A 99 -3.599 3.561 -5.915 1.00 2.48 C ATOM 0 H PHE A 99 -1.184 2.843 -11.229 1.00 4.42 H new ATOM 0 HA PHE A 99 -0.240 4.775 -9.189 1.00 2.41 H new ATOM 0 HB2 PHE A 99 -0.690 1.796 -9.168 1.00 2.00 H new ATOM 0 HB3 PHE A 99 0.450 2.537 -8.063 1.00 2.00 H new ATOM 0 HD1 PHE A 99 -3.104 2.159 -8.944 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 -4.902 2.662 -7.348 1.00 2.02 H new ATOM 0 HE2 PHE A 99 -2.089 4.402 -4.662 1.00 2.30 H new ATOM 0 HZ PHE A 99 -4.397 3.777 -5.220 1.00 2.48 H new ATOM 1529 N ASP A 100 2.205 4.343 -9.748 1.00 2.07 N ATOM 1530 CA ASP A 100 3.622 4.188 -10.062 1.00 2.05 C ATOM 1531 C ASP A 100 4.085 3.564 -8.755 1.00 2.00 C ATOM 1532 O ASP A 100 4.049 4.187 -7.704 1.00 2.00 O ATOM 1533 CB ASP A 100 4.283 5.536 -10.278 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 6.435 4.493 -10.197 1.00 2.00 O ATOM 1536 OD2 ASP A 100 6.312 6.503 -10.945 1.00 2.00 O ATOM 0 H ASP A 100 2.019 5.125 -9.121 1.00 2.07 H new ATOM 0 HA ASP A 100 3.845 3.621 -10.966 1.00 2.05 H new ATOM 0 HB2 ASP A 100 3.828 6.009 -11.148 1.00 2.00 H new ATOM 0 HB3 ASP A 100 4.063 6.170 -9.419 1.00 2.00 H new ATOM 1541 N VAL A 101 4.483 2.309 -8.868 1.00 2.00 N ATOM 1542 CA VAL A 101 4.810 1.457 -7.728 1.00 3.03 C ATOM 1543 C VAL A 101 6.214 0.841 -7.890 1.00 2.94 C ATOM 1544 O VAL A 101 6.574 0.328 -8.960 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 -0.616 -6.475 1.00 2.10 C ATOM 1547 CG2 VAL A 101 2.414 0.956 -7.129 1.00 3.53 C ATOM 0 H VAL A 101 4.591 1.841 -9.768 1.00 2.00 H new ATOM 0 HA VAL A 101 4.833 2.046 -6.811 1.00 3.03 H new ATOM 0 HB VAL A 101 3.646 -0.117 -8.587 1.00 2.13 H new ATOM 0 HG11 VAL A 101 3.223 -1.369 -6.415 1.00 2.10 H new ATOM 0 HG12 VAL A 101 4.965 -1.104 -6.666 1.00 2.10 H new ATOM 0 HG13 VAL A 101 4.062 -0.070 -5.533 1.00 2.10 H new ATOM 0 HG21 VAL A 101 1.654 0.179 -7.049 1.00 3.53 H new ATOM 0 HG22 VAL A 101 2.568 1.415 -6.153 1.00 3.53 H new ATOM 0 HG23 VAL A 101 2.084 1.714 -7.839 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 0.346 -6.872 1.00 3.37 C ATOM 1559 C GLU A 102 8.370 -0.668 -5.766 1.00 2.00 C ATOM 1560 O GLU A 102 8.079 -0.297 -4.624 1.00 2.00 O ATOM 1561 CB GLU A 102 9.355 1.437 -6.639 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 1.798 -6.666 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 12.966 1.314 -7.153 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 -0.118 -7.828 1.00 3.37 H new ATOM 0 HB2 GLU A 102 9.355 2.125 -7.484 1.00 5.33 H new ATOM 0 HB3 GLU A 102 9.076 2.015 -5.758 1.00 5.33 H new ATOM 0 HG2 GLU A 102 10.835 0.447 -5.437 1.00 8.11 H new ATOM 0 HG3 GLU A 102 10.879 0.006 -7.133 1.00 8.11 H new ATOM 1572 N LEU A 103 8.654 -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 10.143 -2.981 -4.486 1.00 2.00 C ATOM 1575 O LEU A 103 11.108 -3.412 -5.125 1.00 2.08 O ATOM 1576 CB LEU A 103 8.278 -4.307 -5.627 1.00 2.00 C ATOM 1577 CG LEU A 103 8.491 -5.531 -4.713 1.00 2.00 C ATOM 1578 CD1 LEU A 103 7.782 -5.335 -3.356 1.00 2.42 C ATOM 1579 CD2 LEU A 103 7.965 -6.782 -5.416 1.00 2.00 C ATOM 0 H LEU A 103 8.850 -2.263 -7.018 1.00 2.00 H new ATOM 0 HA LEU A 103 8.017 -2.725 -4.219 1.00 2.00 H new ATOM 0 HB2 LEU A 103 7.222 -4.253 -5.890 1.00 2.00 H new ATOM 0 HB3 LEU A 103 8.830 -4.468 -6.553 1.00 2.00 H new ATOM 0 HG LEU A 103 9.557 -5.647 -4.517 1.00 2.00 H new ATOM 0 HD11 LEU A 103 7.947 -6.211 -2.729 1.00 2.42 H new ATOM 0 HD12 LEU A 103 8.185 -4.453 -2.859 1.00 2.42 H new ATOM 0 HD13 LEU A 103 6.713 -5.202 -3.520 1.00 2.42 H new ATOM 0 HD21 LEU A 103 8.113 -7.650 -4.774 1.00 2.00 H new ATOM 0 HD22 LEU A 103 6.902 -6.662 -5.624 1.00 2.00 H new ATOM 0 HD23 LEU A 103 8.504 -6.927 -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 -2.028 1.00 2.00 O ATOM 1595 CB LEU A 104 11.486 -1.121 -1.593 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 -0.876 1.00 2.62 C ATOM 1598 CD2 LEU A 104 12.030 0.808 -3.023 1.00 2.00 C ATOM 0 H LEU A 104 9.474 -2.245 -2.681 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 -1.451 -0.796 1.00 2.00 H new ATOM 0 HB3 LEU A 104 12.476 -1.004 -1.153 1.00 2.00 H new ATOM 0 HG LEU A 104 10.018 0.188 -2.480 1.00 2.23 H new ATOM 0 HD11 LEU A 104 10.549 2.239 -1.254 1.00 2.62 H new ATOM 0 HD12 LEU A 104 10.162 0.894 -0.153 1.00 2.62 H new ATOM 0 HD13 LEU A 104 11.855 1.391 -0.392 1.00 2.62 H new ATOM 0 HD21 LEU A 104 11.730 1.799 -3.363 1.00 2.00 H new ATOM 0 HD22 LEU A 104 13.004 0.870 -2.538 1.00 2.00 H new ATOM 0 HD23 LEU A 104 12.092 0.134 -3.878 1.00 2.00 H new ATOM 1610 N LYS A 105 11.286 -4.187 -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 10.587 -6.119 0.077 1.00 4.04 C ATOM 1613 O LYS A 105 9.446 -5.639 0.010 1.00 2.11 O ATOM 1614 CB LYS A 105 12.204 -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 13.444 -4.284 2.949 1.00 8.68 C ATOM 1617 CE LYS A 105 13.993 -5.155 4.053 1.00 10.78 C ATOM 1618 NZ LYS A 105 14.226 -4.305 5.205 1.00 11.71 N ATOM 0 H LYS A 105 10.275 -4.063 -1.258 1.00 2.35 H new ATOM 0 HA LYS A 105 12.552 -5.804 -0.691 1.00 3.56 H new ATOM 0 HB2 LYS A 105 12.810 -3.610 0.615 1.00 4.70 H new ATOM 0 HB3 LYS A 105 11.330 -4.051 1.442 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 2.558 1.00 8.68 H new ATOM 0 HD3 LYS A 105 12.622 -3.663 3.304 1.00 8.68 H new ATOM 0 HE2 LYS A 105 13.289 -5.950 4.300 1.00 10.78 H new ATOM 0 HE3 LYS A 105 14.919 -5.635 3.738 1.00 10.78 H new ATOM 0 HZ1 LYS A 105 14.985 -4.712 5.789 1.00 11.71 H new ATOM 0 HZ2 LYS A 105 14.506 -3.356 4.885 1.00 11.71 H new ATOM 0 HZ3 LYS A 105 13.354 -4.237 5.768 1.00 11.71 H new ATOM 1632 N LEU A 106 10.873 -7.380 0.462 1.00 2.84 N ATOM 1633 CA LEU A 106 9.865 -8.282 1.009 1.00 2.86 C ATOM 1634 C LEU A 106 10.355 -8.631 2.388 1.00 3.93 C ATOM 1635 O LEU A 106 11.552 -8.902 2.619 1.00 4.70 O ATOM 1636 CB LEU A 106 9.696 -9.595 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 9.149 -10.821 -1.861 1.00 2.04 C ATOM 1639 CD2 LEU A 106 7.794 -8.852 -1.304 1.00 4.67 C ATOM 0 H LEU A 106 11.805 -7.790 0.399 1.00 2.84 H new ATOM 0 HA LEU A 106 8.895 -7.786 0.981 1.00 2.86 H new ATOM 0 HB2 LEU A 106 10.657 -10.110 0.195 1.00 2.24 H new ATOM 0 HB3 LEU A 106 9.001 -10.236 0.755 1.00 2.24 H new ATOM 0 HG LEU A 106 9.874 -8.794 -1.777 1.00 2.13 H new ATOM 0 HD11 LEU A 106 8.796 -10.743 -2.889 1.00 2.04 H new ATOM 0 HD12 LEU A 106 10.148 -11.257 -1.852 1.00 2.04 H new ATOM 0 HD13 LEU A 106 8.471 -11.457 -1.292 1.00 2.04 H new ATOM 0 HD21 LEU A 106 7.478 -8.772 -2.344 1.00 4.67 H new ATOM 0 HD22 LEU A 106 7.097 -9.491 -0.762 1.00 4.67 H new ATOM 0 HD23 LEU A 106 7.805 -7.861 -0.851 1.00 4.67 H new ATOM 1651 N GLU A 107 9.429 -8.542 3.312 1.00 6.38 N ATOM 1652 CA GLU A 107 9.700 -8.834 4.711 1.00 9.00 C ATOM 1653 C GLU A 107 8.727 -9.901 5.218 1.00 10.52 C ATOM 1654 O GLU A 107 7.863 -10.344 4.439 1.00 10.53 O ATOM 1655 CB GLU A 107 9.521 -7.580 5.544 1.00 7.90 C ATOM 1656 CG GLU A 107 10.452 -6.460 5.176 1.00 9.88 C ATOM 1657 CD GLU A 107 10.310 -5.251 6.085 1.00 12.12 C ATOM 1658 OE1 GLU A 107 9.212 -4.966 6.586 1.00 13.02 O ATOM 1659 OE2 GLU A 107 11.315 -4.568 6.277 1.00 12.10 O ATOM 1660 OXT GLU A 107 8.802 -10.230 6.404 1.00 11.27 O ATOM 0 H GLU A 107 8.466 -8.266 3.122 1.00 6.38 H new ATOM 0 HA GLU A 107 10.725 -9.195 4.799 1.00 9.00 H new ATOM 0 HB2 GLU A 107 8.493 -7.232 5.441 1.00 7.90 H new ATOM 0 HB3 GLU A 107 9.669 -7.831 6.594 1.00 7.90 H new ATOM 0 HG2 GLU A 107 11.480 -6.820 5.217 1.00 9.88 H new ATOM 0 HG3 GLU A 107 10.261 -6.159 4.146 1.00 9.88 H new