USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 800 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 69 SER OG : rot 96:sc= 0.631 USER MOD Set 1.2: A 87 LYS NZ :NH3+ 180:sc= 0.912 (180deg=0.206) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -166:sc= 2.25 (180deg=0.101) USER MOD Set 2.2: A 42 ASN :FLIP amide:sc= -2.61! C(o=-1.6!,f=-0.018!) USER MOD Set 2.3: A 62 SER OG : rot 178:sc= -0.0912 USER MOD Set 2.4: A 91 GLN : amide:sc= 0.43 K(o=-0.018,f=-6.5) USER MOD Set 3.1: A 33 ASN : amide:sc= 0.293 K(o=0.23,f=-0.88) USER MOD Set 3.2: A 35 GLN : amide:sc= -0.0648 K(o=0.23,f=-0.88!) USER MOD Set 4.1: A 29 GLN : amide:sc= -0.328 X(o=0.83,f=1) USER MOD Set 4.2: A 32 GLN : amide:sc= 1.16 K(o=0.83,f=-0.26) USER MOD Set 5.1: A 27 THR OG1 : rot 83:sc= 0.578 USER MOD Set 5.2: A 74 MET CE :methyl -143:sc= -1.19 (180deg=-2.73!) USER MOD Set 6.1: A 24 TYR OH : rot 130:sc=-0.00307 USER MOD Set 6.2: A 49 ASN : amide:sc=-0.00399 X(o=-0.0071,f=-0.0071) USER MOD Set 7.1: A 19 ASN : amide:sc= 0.483 X(o=0.88,f=0.98) USER MOD Set 7.2: A 22 THR OG1 : rot -170:sc= 0.397 USER MOD Set 8.1: A 12 TYR OH : rot 1:sc= -0.144 USER MOD Set 8.2: A 98 SER OG : rot 67:sc= 1.08 USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -104:sc= -0.125 (180deg=-1.81!) USER MOD Single : A 11 TYR OH : rot 130:sc= 0.162 USER MOD Single : A 14 THR OG1 : rot 36:sc= 0.752 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.108 K(o=-0.11,f=-2!) USER MOD Single : A 18 TYR OH : rot 120:sc= 0.951 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 25 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.036) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.581 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -44:sc= 0.713 USER MOD Single : A 44 TYR OH : rot 52:sc= 2.37 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -113:sc= -0.224 (180deg=-1.63!) USER MOD Single : A 51 ASN : amide:sc= 0.88 K(o=0.88,f=-9!) USER MOD Single : A 52 ASN : amide:sc= 1.16 K(o=1.2,f=-0.84) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 70:sc= 1.24 USER MOD Single : A 64 SER OG : rot 9:sc= 0.405 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -33:sc= 0.67 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= 0.433 (180deg=0.226) USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= 1.29 (180deg=1.15) USER MOD Single : A 79 ASN : amide:sc= -0.681 K(o=-0.68,f=-1.4) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 78:sc= 0.763 USER MOD Single : A 85 SER OG : rot 180:sc= 0.526 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 114:sc= 1.37 USER MOD Single : A 93 ASN : amide:sc= 1.21 K(o=1.2,f=-8.6!) USER MOD Single : A 94 SER OG : rot 170:sc=-0.00313 USER MOD Single : A 97 SER OG : rot 79:sc= 0.644 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 1.17 K(o=1.2,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 72 N GLN A 6 -2.728 -10.986 5.975 1.00 42.33 N ATOM 73 CA GLN A 6 -1.800 -12.064 6.206 1.00 54.24 C ATOM 74 C GLN A 6 -0.450 -11.655 5.667 1.00 45.24 C ATOM 75 O GLN A 6 -0.358 -11.049 4.601 1.00 54.30 O ATOM 76 CB GLN A 6 -2.251 -13.348 5.488 1.00 11.01 C ATOM 77 CG GLN A 6 -3.553 -13.944 6.000 1.00 24.42 C ATOM 78 CD GLN A 6 -3.989 -15.184 5.233 1.00 15.14 C ATOM 79 OE1 GLN A 6 -3.665 -15.254 3.962 1.00 33.13 O flip ATOM 80 NE2 GLN A 6 -4.624 -16.066 5.779 1.00 51.11 N flip ATOM 0 HA GLN A 6 -1.753 -12.265 7.276 1.00 54.24 H new ATOM 0 HB2 GLN A 6 -2.360 -13.133 4.425 1.00 11.01 H new ATOM 0 HB3 GLN A 6 -1.464 -14.096 5.583 1.00 11.01 H new ATOM 0 HG2 GLN A 6 -3.439 -14.198 7.054 1.00 24.42 H new ATOM 0 HG3 GLN A 6 -4.339 -13.191 5.937 1.00 24.42 H new ATOM 0 HE21 GLN A 6 -4.862 -15.986 6.768 1.00 51.11 H new ATOM 0 HE22 GLN A 6 -4.918 -16.886 5.248 1.00 51.11 H new ATOM 89 N TYR A 7 0.574 -11.945 6.393 1.00 61.11 N ATOM 90 CA TYR A 7 1.909 -11.692 5.943 1.00 71.33 C ATOM 91 C TYR A 7 2.682 -12.985 5.925 1.00 5.10 C ATOM 92 O TYR A 7 2.780 -13.667 6.943 1.00 13.34 O ATOM 93 CB TYR A 7 2.608 -10.572 6.764 1.00 14.31 C ATOM 94 CG TYR A 7 2.606 -10.747 8.279 1.00 52.14 C ATOM 95 CD1 TYR A 7 1.530 -10.308 9.046 1.00 51.12 C ATOM 96 CD2 TYR A 7 3.680 -11.336 8.938 1.00 33.15 C ATOM 97 CE1 TYR A 7 1.524 -10.453 10.419 1.00 75.11 C ATOM 98 CE2 TYR A 7 3.680 -11.483 10.314 1.00 64.14 C ATOM 99 CZ TYR A 7 2.599 -11.041 11.048 1.00 51.32 C ATOM 100 OH TYR A 7 2.597 -11.185 12.416 1.00 54.21 O ATOM 0 H TYR A 7 0.514 -12.366 7.320 1.00 61.11 H new ATOM 0 HA TYR A 7 1.872 -11.306 4.924 1.00 71.33 H new ATOM 0 HB2 TYR A 7 3.643 -10.497 6.429 1.00 14.31 H new ATOM 0 HB3 TYR A 7 2.127 -9.623 6.528 1.00 14.31 H new ATOM 0 HD1 TYR A 7 0.685 -9.846 8.558 1.00 51.12 H new ATOM 0 HD2 TYR A 7 4.528 -11.684 8.367 1.00 33.15 H new ATOM 0 HE1 TYR A 7 0.680 -10.107 10.997 1.00 75.11 H new ATOM 0 HE2 TYR A 7 4.522 -11.942 10.811 1.00 64.14 H new ATOM 0 HH TYR A 7 3.428 -11.619 12.700 1.00 54.21 H new ATOM 110 N LYS A 8 3.188 -13.352 4.786 1.00 2.51 N ATOM 111 CA LYS A 8 3.929 -14.570 4.676 1.00 74.01 C ATOM 112 C LYS A 8 5.209 -14.367 3.922 1.00 71.35 C ATOM 113 O LYS A 8 5.202 -13.923 2.782 1.00 35.35 O ATOM 114 CB LYS A 8 3.101 -15.730 4.084 1.00 23.32 C ATOM 115 CG LYS A 8 3.972 -16.942 3.767 1.00 54.21 C ATOM 116 CD LYS A 8 3.198 -18.197 3.447 1.00 24.42 C ATOM 117 CE LYS A 8 4.145 -19.290 2.930 1.00 2.15 C ATOM 118 NZ LYS A 8 5.381 -19.427 3.760 1.00 22.40 N ATOM 0 H LYS A 8 3.100 -12.823 3.918 1.00 2.51 H new ATOM 0 HA LYS A 8 4.182 -14.866 5.694 1.00 74.01 H new ATOM 0 HB2 LYS A 8 2.321 -16.017 4.789 1.00 23.32 H new ATOM 0 HB3 LYS A 8 2.601 -15.394 3.176 1.00 23.32 H new ATOM 0 HG2 LYS A 8 4.616 -16.701 2.921 1.00 54.21 H new ATOM 0 HG3 LYS A 8 4.624 -17.139 4.618 1.00 54.21 H new ATOM 0 HD2 LYS A 8 2.678 -18.549 4.338 1.00 24.42 H new ATOM 0 HD3 LYS A 8 2.437 -17.982 2.697 1.00 24.42 H new ATOM 0 HE2 LYS A 8 3.617 -20.243 2.913 1.00 2.15 H new ATOM 0 HE3 LYS A 8 4.427 -19.063 1.902 1.00 2.15 H new ATOM 0 HZ1 LYS A 8 6.184 -18.992 3.262 1.00 22.40 H new ATOM 0 HZ2 LYS A 8 5.241 -18.950 4.673 1.00 22.40 H new ATOM 0 HZ3 LYS A 8 5.580 -20.435 3.923 1.00 22.40 H new ATOM 132 N ASP A 9 6.301 -14.676 4.606 1.00 14.21 N ATOM 133 CA ASP A 9 7.684 -14.625 4.093 1.00 14.12 C ATOM 134 C ASP A 9 7.985 -13.239 3.534 1.00 50.42 C ATOM 135 O ASP A 9 8.747 -13.076 2.597 1.00 33.11 O ATOM 136 CB ASP A 9 7.902 -15.698 2.985 1.00 35.31 C ATOM 137 CG ASP A 9 7.395 -17.094 3.350 1.00 21.44 C ATOM 138 OD1 ASP A 9 7.328 -17.455 4.546 1.00 31.23 O ATOM 139 OD2 ASP A 9 6.990 -17.849 2.447 1.00 42.12 O ATOM 0 H ASP A 9 6.257 -14.984 5.577 1.00 14.21 H new ATOM 0 HA ASP A 9 8.363 -14.835 4.920 1.00 14.12 H new ATOM 0 HB2 ASP A 9 7.401 -15.369 2.074 1.00 35.31 H new ATOM 0 HB3 ASP A 9 8.967 -15.759 2.759 1.00 35.31 H new ATOM 144 N GLY A 10 7.435 -12.232 4.189 1.00 60.13 N ATOM 145 CA GLY A 10 7.645 -10.869 3.774 1.00 13.23 C ATOM 146 C GLY A 10 6.564 -10.362 2.828 1.00 32.53 C ATOM 147 O GLY A 10 6.335 -9.156 2.739 1.00 32.03 O ATOM 0 H GLY A 10 6.840 -12.339 5.011 1.00 60.13 H new ATOM 0 HA2 GLY A 10 7.679 -10.228 4.655 1.00 13.23 H new ATOM 0 HA3 GLY A 10 8.615 -10.790 3.284 1.00 13.23 H new ATOM 151 N TYR A 11 5.908 -11.270 2.124 1.00 40.41 N ATOM 152 CA TYR A 11 4.860 -10.906 1.188 1.00 30.53 C ATOM 153 C TYR A 11 3.615 -10.532 1.959 1.00 63.02 C ATOM 154 O TYR A 11 3.158 -11.279 2.842 1.00 73.13 O ATOM 155 CB TYR A 11 4.594 -12.044 0.177 1.00 54.44 C ATOM 156 CG TYR A 11 3.486 -11.755 -0.828 1.00 1.30 C ATOM 157 CD1 TYR A 11 3.562 -10.670 -1.696 1.00 23.21 C ATOM 158 CD2 TYR A 11 2.361 -12.561 -0.896 1.00 34.24 C ATOM 159 CE1 TYR A 11 2.549 -10.402 -2.600 1.00 32.01 C ATOM 160 CE2 TYR A 11 1.344 -12.300 -1.797 1.00 2.05 C ATOM 161 CZ TYR A 11 1.439 -11.222 -2.643 1.00 42.21 C ATOM 162 OH TYR A 11 0.416 -10.960 -3.541 1.00 53.21 O ATOM 0 H TYR A 11 6.086 -12.273 2.185 1.00 40.41 H new ATOM 0 HA TYR A 11 5.180 -10.043 0.604 1.00 30.53 H new ATOM 0 HB2 TYR A 11 5.515 -12.251 -0.368 1.00 54.44 H new ATOM 0 HB3 TYR A 11 4.339 -12.949 0.728 1.00 54.44 H new ATOM 0 HD1 TYR A 11 4.428 -10.025 -1.664 1.00 23.21 H new ATOM 0 HD2 TYR A 11 2.276 -13.409 -0.233 1.00 34.24 H new ATOM 0 HE1 TYR A 11 2.626 -9.557 -3.268 1.00 32.01 H new ATOM 0 HE2 TYR A 11 0.477 -12.943 -1.835 1.00 2.05 H new ATOM 0 HH TYR A 11 0.197 -11.778 -4.035 1.00 53.21 H new ATOM 172 N TYR A 12 3.089 -9.380 1.662 1.00 24.50 N ATOM 173 CA TYR A 12 1.985 -8.866 2.401 1.00 64.51 C ATOM 174 C TYR A 12 0.706 -9.003 1.605 1.00 34.52 C ATOM 175 O TYR A 12 0.632 -8.582 0.439 1.00 21.24 O ATOM 176 CB TYR A 12 2.239 -7.413 2.741 1.00 20.31 C ATOM 177 CG TYR A 12 1.397 -6.897 3.861 1.00 4.10 C ATOM 178 CD1 TYR A 12 1.701 -7.223 5.168 1.00 31.51 C ATOM 179 CD2 TYR A 12 0.315 -6.074 3.622 1.00 23.21 C ATOM 180 CE1 TYR A 12 0.955 -6.746 6.210 1.00 62.11 C ATOM 181 CE2 TYR A 12 -0.440 -5.595 4.659 1.00 73.03 C ATOM 182 CZ TYR A 12 -0.115 -5.934 5.956 1.00 33.32 C ATOM 183 OH TYR A 12 -0.852 -5.445 7.004 1.00 13.30 O ATOM 0 H TYR A 12 3.414 -8.778 0.906 1.00 24.50 H new ATOM 0 HA TYR A 12 1.876 -9.437 3.323 1.00 64.51 H new ATOM 0 HB2 TYR A 12 3.290 -7.290 3.003 1.00 20.31 H new ATOM 0 HB3 TYR A 12 2.058 -6.806 1.854 1.00 20.31 H new ATOM 0 HD1 TYR A 12 2.544 -7.867 5.371 1.00 31.51 H new ATOM 0 HD2 TYR A 12 0.061 -5.805 2.607 1.00 23.21 H new ATOM 0 HE1 TYR A 12 1.209 -7.009 7.226 1.00 62.11 H new ATOM 0 HE2 TYR A 12 -1.287 -4.954 4.462 1.00 73.03 H new ATOM 0 HH TYR A 12 -0.471 -5.764 7.849 1.00 13.30 H new ATOM 193 N ILE A 13 -0.277 -9.598 2.226 1.00 15.11 N ATOM 194 CA ILE A 13 -1.577 -9.796 1.640 1.00 51.41 C ATOM 195 C ILE A 13 -2.584 -9.126 2.520 1.00 15.43 C ATOM 196 O ILE A 13 -2.607 -9.352 3.735 1.00 22.21 O ATOM 197 CB ILE A 13 -1.928 -11.307 1.557 1.00 34.40 C ATOM 198 CG1 ILE A 13 -0.829 -12.073 0.818 1.00 10.43 C ATOM 199 CG2 ILE A 13 -3.284 -11.516 0.878 1.00 34.51 C ATOM 200 CD1 ILE A 13 -1.000 -13.577 0.819 1.00 3.50 C ATOM 0 H ILE A 13 -0.195 -9.967 3.174 1.00 15.11 H new ATOM 0 HA ILE A 13 -1.581 -9.382 0.632 1.00 51.41 H new ATOM 0 HB ILE A 13 -1.996 -11.697 2.573 1.00 34.40 H new ATOM 0 HG12 ILE A 13 -0.793 -11.725 -0.214 1.00 10.43 H new ATOM 0 HG13 ILE A 13 0.132 -11.829 1.270 1.00 10.43 H new ATOM 0 HG21 ILE A 13 -3.507 -12.582 0.832 1.00 34.51 H new ATOM 0 HG22 ILE A 13 -4.060 -11.007 1.450 1.00 34.51 H new ATOM 0 HG23 ILE A 13 -3.252 -11.108 -0.132 1.00 34.51 H new ATOM 0 HD11 ILE A 13 -0.176 -14.037 0.273 1.00 3.50 H new ATOM 0 HD12 ILE A 13 -1.004 -13.942 1.846 1.00 3.50 H new ATOM 0 HD13 ILE A 13 -1.943 -13.836 0.339 1.00 3.50 H new ATOM 212 N THR A 14 -3.368 -8.280 1.950 1.00 20.15 N ATOM 213 CA THR A 14 -4.395 -7.653 2.670 1.00 11.31 C ATOM 214 C THR A 14 -5.572 -7.262 1.784 1.00 5.41 C ATOM 215 O THR A 14 -5.406 -6.722 0.708 1.00 22.25 O ATOM 216 CB THR A 14 -3.811 -6.462 3.488 1.00 41.53 C ATOM 217 OG1 THR A 14 -3.480 -6.891 4.782 1.00 50.25 O ATOM 218 CG2 THR A 14 -4.682 -5.239 3.517 1.00 52.21 C ATOM 0 H THR A 14 -3.307 -8.009 0.968 1.00 20.15 H new ATOM 0 HA THR A 14 -4.812 -8.367 3.380 1.00 11.31 H new ATOM 0 HB THR A 14 -2.910 -6.141 2.965 1.00 41.53 H new ATOM 0 HG1 THR A 14 -3.132 -7.806 4.744 1.00 50.25 H new ATOM 0 HG21 THR A 14 -4.198 -4.461 4.108 1.00 52.21 H new ATOM 0 HG22 THR A 14 -4.837 -4.879 2.500 1.00 52.21 H new ATOM 0 HG23 THR A 14 -5.644 -5.488 3.964 1.00 52.21 H new ATOM 226 N THR A 15 -6.737 -7.595 2.237 1.00 44.11 N ATOM 227 CA THR A 15 -7.955 -7.186 1.623 1.00 35.11 C ATOM 228 C THR A 15 -8.651 -6.197 2.564 1.00 14.11 C ATOM 229 O THR A 15 -8.753 -6.456 3.779 1.00 20.11 O ATOM 230 CB THR A 15 -8.867 -8.408 1.354 1.00 13.10 C ATOM 231 OG1 THR A 15 -8.130 -9.403 0.608 1.00 52.22 O ATOM 232 CG2 THR A 15 -10.101 -8.002 0.550 1.00 12.10 C ATOM 0 H THR A 15 -6.869 -8.174 3.066 1.00 44.11 H new ATOM 0 HA THR A 15 -7.748 -6.712 0.664 1.00 35.11 H new ATOM 0 HB THR A 15 -9.189 -8.813 2.313 1.00 13.10 H new ATOM 0 HG1 THR A 15 -8.706 -10.178 0.439 1.00 52.22 H new ATOM 0 HG21 THR A 15 -10.725 -8.878 0.374 1.00 12.10 H new ATOM 0 HG22 THR A 15 -10.669 -7.257 1.107 1.00 12.10 H new ATOM 0 HG23 THR A 15 -9.790 -7.581 -0.406 1.00 12.10 H new ATOM 240 N LEU A 16 -9.054 -5.071 2.020 1.00 20.05 N ATOM 241 CA LEU A 16 -9.720 -4.011 2.747 1.00 51.01 C ATOM 242 C LEU A 16 -11.123 -3.831 2.199 1.00 32.23 C ATOM 243 O LEU A 16 -11.300 -3.734 0.979 1.00 12.12 O ATOM 244 CB LEU A 16 -8.963 -2.687 2.532 1.00 14.33 C ATOM 245 CG LEU A 16 -7.520 -2.606 3.036 1.00 31.12 C ATOM 246 CD1 LEU A 16 -6.887 -1.291 2.613 1.00 71.22 C ATOM 247 CD2 LEU A 16 -7.479 -2.728 4.543 1.00 41.54 C ATOM 0 H LEU A 16 -8.924 -4.860 1.031 1.00 20.05 H new ATOM 0 HA LEU A 16 -9.748 -4.271 3.805 1.00 51.01 H new ATOM 0 HB2 LEU A 16 -8.958 -2.472 1.463 1.00 14.33 H new ATOM 0 HB3 LEU A 16 -9.532 -1.892 3.014 1.00 14.33 H new ATOM 0 HG LEU A 16 -6.958 -3.431 2.598 1.00 31.12 H new ATOM 0 HD11 LEU A 16 -5.861 -1.247 2.978 1.00 71.22 H new ATOM 0 HD12 LEU A 16 -6.888 -1.220 1.525 1.00 71.22 H new ATOM 0 HD13 LEU A 16 -7.457 -0.462 3.032 1.00 71.22 H new ATOM 0 HD21 LEU A 16 -6.446 -2.668 4.885 1.00 41.54 H new ATOM 0 HD22 LEU A 16 -8.056 -1.918 4.989 1.00 41.54 H new ATOM 0 HD23 LEU A 16 -7.906 -3.685 4.842 1.00 41.54 H new ATOM 259 N ASN A 17 -12.113 -3.788 3.066 1.00 33.30 N ATOM 260 CA ASN A 17 -13.487 -3.498 2.629 1.00 33.45 C ATOM 261 C ASN A 17 -13.644 -1.978 2.526 1.00 43.54 C ATOM 262 O ASN A 17 -14.268 -1.341 3.378 1.00 22.11 O ATOM 263 CB ASN A 17 -14.543 -4.052 3.618 1.00 62.41 C ATOM 264 CG ASN A 17 -15.981 -4.032 3.065 1.00 74.52 C ATOM 265 OD1 ASN A 17 -16.312 -3.280 2.152 1.00 62.11 O ATOM 266 ND2 ASN A 17 -16.856 -4.814 3.655 1.00 71.13 N ATOM 0 H ASN A 17 -12.008 -3.946 4.068 1.00 33.30 H new ATOM 0 HA ASN A 17 -13.653 -3.983 1.667 1.00 33.45 H new ATOM 0 HB2 ASN A 17 -14.279 -5.076 3.881 1.00 62.41 H new ATOM 0 HB3 ASN A 17 -14.509 -3.467 4.537 1.00 62.41 H new ATOM 0 HD21 ASN A 17 -17.831 -4.804 3.357 1.00 71.13 H new ATOM 0 HD22 ASN A 17 -16.560 -5.431 4.411 1.00 71.13 H new ATOM 273 N TYR A 18 -12.958 -1.399 1.557 1.00 12.13 N ATOM 274 CA TYR A 18 -12.992 0.025 1.296 1.00 11.44 C ATOM 275 C TYR A 18 -12.818 0.263 -0.188 1.00 60.43 C ATOM 276 O TYR A 18 -12.222 -0.571 -0.884 1.00 31.53 O ATOM 277 CB TYR A 18 -11.916 0.806 2.107 1.00 71.42 C ATOM 278 CG TYR A 18 -12.147 0.808 3.614 1.00 65.44 C ATOM 279 CD1 TYR A 18 -13.171 1.565 4.172 1.00 60.05 C ATOM 280 CD2 TYR A 18 -11.367 0.036 4.471 1.00 21.25 C ATOM 281 CE1 TYR A 18 -13.417 1.550 5.529 1.00 21.33 C ATOM 282 CE2 TYR A 18 -11.602 0.022 5.835 1.00 21.14 C ATOM 283 CZ TYR A 18 -12.633 0.779 6.357 1.00 22.42 C ATOM 284 OH TYR A 18 -12.894 0.753 7.722 1.00 45.22 O ATOM 0 H TYR A 18 -12.352 -1.916 0.920 1.00 12.13 H new ATOM 0 HA TYR A 18 -13.960 0.404 1.623 1.00 11.44 H new ATOM 0 HB2 TYR A 18 -10.937 0.373 1.902 1.00 71.42 H new ATOM 0 HB3 TYR A 18 -11.889 1.837 1.754 1.00 71.42 H new ATOM 0 HD1 TYR A 18 -13.786 2.177 3.530 1.00 60.05 H new ATOM 0 HD2 TYR A 18 -10.565 -0.562 4.064 1.00 21.25 H new ATOM 0 HE1 TYR A 18 -14.222 2.141 5.940 1.00 21.33 H new ATOM 0 HE2 TYR A 18 -10.983 -0.577 6.487 1.00 21.14 H new ATOM 0 HH TYR A 18 -13.100 -0.164 7.998 1.00 45.22 H new ATOM 294 N ASN A 19 -13.289 1.413 -0.651 1.00 53.02 N ATOM 295 CA ASN A 19 -13.309 1.758 -2.077 1.00 74.03 C ATOM 296 C ASN A 19 -11.913 1.931 -2.637 1.00 33.45 C ATOM 297 O ASN A 19 -11.103 2.645 -2.070 1.00 54.04 O ATOM 298 CB ASN A 19 -14.100 3.054 -2.298 1.00 5.11 C ATOM 299 CG ASN A 19 -14.169 3.490 -3.762 1.00 21.52 C ATOM 300 OD1 ASN A 19 -14.196 2.675 -4.677 1.00 34.31 O ATOM 301 ND2 ASN A 19 -14.140 4.778 -3.988 1.00 25.41 N ATOM 0 H ASN A 19 -13.672 2.142 -0.048 1.00 53.02 H new ATOM 0 HA ASN A 19 -13.789 0.931 -2.600 1.00 74.03 H new ATOM 0 HB2 ASN A 19 -15.113 2.920 -1.920 1.00 5.11 H new ATOM 0 HB3 ASN A 19 -13.644 3.852 -1.712 1.00 5.11 H new ATOM 0 HD21 ASN A 19 -14.139 5.128 -4.946 1.00 25.41 H new ATOM 0 HD22 ASN A 19 -14.118 5.433 -3.206 1.00 25.41 H new ATOM 308 N PHE A 20 -11.682 1.314 -3.777 1.00 54.23 N ATOM 309 CA PHE A 20 -10.397 1.292 -4.465 1.00 33.22 C ATOM 310 C PHE A 20 -9.759 2.673 -4.678 1.00 22.41 C ATOM 311 O PHE A 20 -8.582 2.859 -4.367 1.00 40.15 O ATOM 312 CB PHE A 20 -10.563 0.509 -5.779 1.00 65.25 C ATOM 313 CG PHE A 20 -9.484 0.695 -6.805 1.00 21.32 C ATOM 314 CD1 PHE A 20 -8.295 0.000 -6.721 1.00 12.31 C ATOM 315 CD2 PHE A 20 -9.677 1.566 -7.869 1.00 74.01 C ATOM 316 CE1 PHE A 20 -7.321 0.172 -7.671 1.00 34.04 C ATOM 317 CE2 PHE A 20 -8.708 1.739 -8.821 1.00 25.41 C ATOM 318 CZ PHE A 20 -7.530 1.043 -8.724 1.00 50.12 C ATOM 0 H PHE A 20 -12.406 0.794 -4.272 1.00 54.23 H new ATOM 0 HA PHE A 20 -9.682 0.787 -3.816 1.00 33.22 H new ATOM 0 HB2 PHE A 20 -10.627 -0.552 -5.539 1.00 65.25 H new ATOM 0 HB3 PHE A 20 -11.515 0.793 -6.228 1.00 65.25 H new ATOM 0 HD1 PHE A 20 -8.130 -0.684 -5.902 1.00 12.31 H new ATOM 0 HD2 PHE A 20 -10.604 2.115 -7.947 1.00 74.01 H new ATOM 0 HE1 PHE A 20 -6.391 -0.373 -7.597 1.00 34.04 H new ATOM 0 HE2 PHE A 20 -8.870 2.420 -9.644 1.00 25.41 H new ATOM 0 HZ PHE A 20 -6.763 1.176 -9.473 1.00 50.12 H new ATOM 328 N ASN A 21 -10.538 3.644 -5.144 1.00 75.43 N ATOM 329 CA ASN A 21 -9.967 4.968 -5.471 1.00 31.43 C ATOM 330 C ASN A 21 -9.561 5.633 -4.190 1.00 1.01 C ATOM 331 O ASN A 21 -8.491 6.198 -4.054 1.00 14.11 O ATOM 332 CB ASN A 21 -10.970 5.856 -6.226 1.00 42.14 C ATOM 333 CG ASN A 21 -10.358 7.191 -6.668 1.00 50.44 C ATOM 334 OD1 ASN A 21 -9.176 7.280 -6.978 1.00 21.23 O ATOM 335 ND2 ASN A 21 -11.157 8.233 -6.690 1.00 23.12 N ATOM 0 H ASN A 21 -11.541 3.555 -5.304 1.00 75.43 H new ATOM 0 HA ASN A 21 -9.107 4.827 -6.126 1.00 31.43 H new ATOM 0 HB2 ASN A 21 -11.336 5.321 -7.102 1.00 42.14 H new ATOM 0 HB3 ASN A 21 -11.832 6.049 -5.587 1.00 42.14 H new ATOM 0 HD21 ASN A 21 -10.798 9.145 -6.970 1.00 23.12 H new ATOM 0 HD22 ASN A 21 -12.137 8.130 -6.427 1.00 23.12 H new ATOM 342 N THR A 22 -10.414 5.444 -3.245 1.00 72.31 N ATOM 343 CA THR A 22 -10.315 5.949 -1.935 1.00 12.11 C ATOM 344 C THR A 22 -9.069 5.368 -1.212 1.00 53.34 C ATOM 345 O THR A 22 -8.333 6.098 -0.540 1.00 33.44 O ATOM 346 CB THR A 22 -11.616 5.532 -1.261 1.00 21.10 C ATOM 347 OG1 THR A 22 -12.726 6.147 -1.945 1.00 0.12 O ATOM 348 CG2 THR A 22 -11.663 5.858 0.176 1.00 30.04 C ATOM 0 H THR A 22 -11.259 4.890 -3.386 1.00 72.31 H new ATOM 0 HA THR A 22 -10.184 7.031 -1.910 1.00 12.11 H new ATOM 0 HB THR A 22 -11.677 4.446 -1.329 1.00 21.10 H new ATOM 0 HG1 THR A 22 -13.546 6.012 -1.425 1.00 0.12 H new ATOM 0 HG21 THR A 22 -12.617 5.533 0.592 1.00 30.04 H new ATOM 0 HG22 THR A 22 -10.850 5.347 0.692 1.00 30.04 H new ATOM 0 HG23 THR A 22 -11.557 6.935 0.308 1.00 30.04 H new ATOM 356 N VAL A 23 -8.829 4.076 -1.391 1.00 64.53 N ATOM 357 CA VAL A 23 -7.660 3.431 -0.819 1.00 52.12 C ATOM 358 C VAL A 23 -6.394 3.970 -1.489 1.00 71.42 C ATOM 359 O VAL A 23 -5.396 4.249 -0.816 1.00 4.34 O ATOM 360 CB VAL A 23 -7.721 1.879 -0.954 1.00 62.42 C ATOM 361 CG1 VAL A 23 -6.469 1.237 -0.393 1.00 32.30 C ATOM 362 CG2 VAL A 23 -8.938 1.318 -0.240 1.00 70.43 C ATOM 0 H VAL A 23 -9.432 3.454 -1.930 1.00 64.53 H new ATOM 0 HA VAL A 23 -7.641 3.662 0.246 1.00 52.12 H new ATOM 0 HB VAL A 23 -7.795 1.647 -2.017 1.00 62.42 H new ATOM 0 HG11 VAL A 23 -6.536 0.154 -0.499 1.00 32.30 H new ATOM 0 HG12 VAL A 23 -5.598 1.601 -0.938 1.00 32.30 H new ATOM 0 HG13 VAL A 23 -6.370 1.493 0.662 1.00 32.30 H new ATOM 0 HG21 VAL A 23 -8.957 0.234 -0.350 1.00 70.43 H new ATOM 0 HG22 VAL A 23 -8.890 1.575 0.818 1.00 70.43 H new ATOM 0 HG23 VAL A 23 -9.843 1.742 -0.675 1.00 70.43 H new ATOM 372 N TYR A 24 -6.464 4.153 -2.802 1.00 25.02 N ATOM 373 CA TYR A 24 -5.346 4.670 -3.587 1.00 33.02 C ATOM 374 C TYR A 24 -4.962 6.067 -3.108 1.00 25.32 C ATOM 375 O TYR A 24 -3.775 6.371 -2.937 1.00 30.43 O ATOM 376 CB TYR A 24 -5.709 4.674 -5.083 1.00 34.24 C ATOM 377 CG TYR A 24 -4.575 5.038 -6.035 1.00 75.23 C ATOM 378 CD1 TYR A 24 -3.423 4.266 -6.097 1.00 70.30 C ATOM 379 CD2 TYR A 24 -4.674 6.133 -6.890 1.00 63.10 C ATOM 380 CE1 TYR A 24 -2.399 4.569 -6.978 1.00 0.44 C ATOM 381 CE2 TYR A 24 -3.655 6.439 -7.782 1.00 4.42 C ATOM 382 CZ TYR A 24 -2.520 5.652 -7.820 1.00 12.15 C ATOM 383 OH TYR A 24 -1.506 5.939 -8.718 1.00 45.41 O ATOM 0 H TYR A 24 -7.297 3.948 -3.354 1.00 25.02 H new ATOM 0 HA TYR A 24 -4.482 4.020 -3.448 1.00 33.02 H new ATOM 0 HB2 TYR A 24 -6.081 3.685 -5.351 1.00 34.24 H new ATOM 0 HB3 TYR A 24 -6.529 5.376 -5.238 1.00 34.24 H new ATOM 0 HD1 TYR A 24 -3.324 3.411 -5.444 1.00 70.30 H new ATOM 0 HD2 TYR A 24 -5.557 6.754 -6.859 1.00 63.10 H new ATOM 0 HE1 TYR A 24 -1.509 3.958 -7.005 1.00 0.44 H new ATOM 0 HE2 TYR A 24 -3.749 7.288 -8.443 1.00 4.42 H new ATOM 0 HH TYR A 24 -1.886 6.062 -9.613 1.00 45.41 H new ATOM 393 N ASN A 25 -5.971 6.891 -2.848 1.00 1.44 N ATOM 394 CA ASN A 25 -5.768 8.243 -2.365 1.00 13.42 C ATOM 395 C ASN A 25 -5.087 8.221 -0.999 1.00 1.41 C ATOM 396 O ASN A 25 -4.047 8.865 -0.803 1.00 61.25 O ATOM 397 CB ASN A 25 -7.115 8.986 -2.235 1.00 12.44 C ATOM 398 CG ASN A 25 -7.915 9.145 -3.534 1.00 25.20 C ATOM 399 OD1 ASN A 25 -9.143 9.185 -3.513 1.00 71.40 O ATOM 400 ND2 ASN A 25 -7.243 9.244 -4.660 1.00 63.13 N ATOM 0 H ASN A 25 -6.951 6.636 -2.968 1.00 1.44 H new ATOM 0 HA ASN A 25 -5.136 8.762 -3.086 1.00 13.42 H new ATOM 0 HB2 ASN A 25 -7.734 8.455 -1.512 1.00 12.44 H new ATOM 0 HB3 ASN A 25 -6.924 9.977 -1.824 1.00 12.44 H new ATOM 0 HD21 ASN A 25 -7.741 9.357 -5.543 1.00 63.13 H new ATOM 0 HD22 ASN A 25 -6.224 9.208 -4.650 1.00 63.13 H new ATOM 407 N ALA A 26 -5.639 7.420 -0.088 1.00 22.22 N ATOM 408 CA ALA A 26 -5.150 7.335 1.288 1.00 73.11 C ATOM 409 C ALA A 26 -3.730 6.783 1.353 1.00 12.15 C ATOM 410 O ALA A 26 -2.868 7.357 2.014 1.00 23.23 O ATOM 411 CB ALA A 26 -6.088 6.473 2.122 1.00 1.20 C ATOM 0 H ALA A 26 -6.436 6.813 -0.282 1.00 22.22 H new ATOM 0 HA ALA A 26 -5.128 8.346 1.695 1.00 73.11 H new ATOM 0 HB1 ALA A 26 -5.716 6.415 3.145 1.00 1.20 H new ATOM 0 HB2 ALA A 26 -7.084 6.915 2.123 1.00 1.20 H new ATOM 0 HB3 ALA A 26 -6.136 5.471 1.696 1.00 1.20 H new ATOM 417 N THR A 27 -3.490 5.705 0.632 1.00 41.22 N ATOM 418 CA THR A 27 -2.190 5.057 0.599 1.00 74.53 C ATOM 419 C THR A 27 -1.127 5.994 0.066 1.00 62.23 C ATOM 420 O THR A 27 -0.073 6.137 0.681 1.00 65.21 O ATOM 421 CB THR A 27 -2.223 3.803 -0.291 1.00 30.22 C ATOM 422 OG1 THR A 27 -3.273 2.931 0.138 1.00 45.44 O ATOM 423 CG2 THR A 27 -0.888 3.055 -0.247 1.00 64.21 C ATOM 0 H THR A 27 -4.193 5.251 0.049 1.00 41.22 H new ATOM 0 HA THR A 27 -1.948 4.775 1.624 1.00 74.53 H new ATOM 0 HB THR A 27 -2.404 4.123 -1.317 1.00 30.22 H new ATOM 0 HG1 THR A 27 -4.122 3.225 -0.253 1.00 45.44 H new ATOM 0 HG21 THR A 27 -0.943 2.174 -0.886 1.00 64.21 H new ATOM 0 HG22 THR A 27 -0.092 3.710 -0.601 1.00 64.21 H new ATOM 0 HG23 THR A 27 -0.677 2.748 0.777 1.00 64.21 H new ATOM 431 N LEU A 28 -1.426 6.662 -1.053 1.00 13.13 N ATOM 432 CA LEU A 28 -0.479 7.562 -1.677 1.00 65.20 C ATOM 433 C LEU A 28 -0.079 8.659 -0.711 1.00 4.11 C ATOM 434 O LEU A 28 1.083 8.877 -0.487 1.00 51.21 O ATOM 435 CB LEU A 28 -1.052 8.153 -2.972 1.00 1.15 C ATOM 436 CG LEU A 28 -0.188 9.205 -3.691 1.00 61.21 C ATOM 437 CD1 LEU A 28 1.078 8.580 -4.253 1.00 51.51 C ATOM 438 CD2 LEU A 28 -0.982 9.896 -4.784 1.00 54.22 C ATOM 0 H LEU A 28 -2.320 6.589 -1.538 1.00 13.13 H new ATOM 0 HA LEU A 28 0.413 6.993 -1.939 1.00 65.20 H new ATOM 0 HB2 LEU A 28 -1.240 7.334 -3.666 1.00 1.15 H new ATOM 0 HB3 LEU A 28 -2.017 8.604 -2.743 1.00 1.15 H new ATOM 0 HG LEU A 28 0.107 9.956 -2.959 1.00 61.21 H new ATOM 0 HD11 LEU A 28 1.669 9.345 -4.755 1.00 51.51 H new ATOM 0 HD12 LEU A 28 1.661 8.146 -3.441 1.00 51.51 H new ATOM 0 HD13 LEU A 28 0.813 7.800 -4.966 1.00 51.51 H new ATOM 0 HD21 LEU A 28 -0.352 10.635 -5.279 1.00 54.22 H new ATOM 0 HD22 LEU A 28 -1.316 9.158 -5.513 1.00 54.22 H new ATOM 0 HD23 LEU A 28 -1.848 10.392 -4.346 1.00 54.22 H new ATOM 450 N GLN A 29 -1.050 9.300 -0.107 1.00 13.13 N ATOM 451 CA GLN A 29 -0.784 10.351 0.853 1.00 34.40 C ATOM 452 C GLN A 29 -0.036 9.838 2.087 1.00 2.22 C ATOM 453 O GLN A 29 0.866 10.498 2.561 1.00 13.34 O ATOM 454 CB GLN A 29 -2.073 11.053 1.231 1.00 51.14 C ATOM 455 CG GLN A 29 -2.726 11.748 0.047 1.00 53.24 C ATOM 456 CD GLN A 29 -1.878 12.884 -0.513 1.00 65.33 C ATOM 457 OE1 GLN A 29 -1.993 14.017 -0.087 1.00 44.35 O ATOM 458 NE2 GLN A 29 -1.021 12.583 -1.468 1.00 22.23 N ATOM 0 H GLN A 29 -2.040 9.112 -0.263 1.00 13.13 H new ATOM 0 HA GLN A 29 -0.123 11.075 0.378 1.00 34.40 H new ATOM 0 HB2 GLN A 29 -2.769 10.327 1.651 1.00 51.14 H new ATOM 0 HB3 GLN A 29 -1.868 11.786 2.011 1.00 51.14 H new ATOM 0 HG2 GLN A 29 -2.912 11.017 -0.740 1.00 53.24 H new ATOM 0 HG3 GLN A 29 -3.696 12.141 0.352 1.00 53.24 H new ATOM 0 HE21 GLN A 29 -0.948 11.623 -1.804 1.00 22.23 H new ATOM 0 HE22 GLN A 29 -0.430 13.310 -1.871 1.00 22.23 H new ATOM 467 N ALA A 30 -0.376 8.647 2.552 1.00 21.14 N ATOM 468 CA ALA A 30 0.281 8.051 3.722 1.00 25.32 C ATOM 469 C ALA A 30 1.787 7.922 3.504 1.00 71.04 C ATOM 470 O ALA A 30 2.596 8.309 4.358 1.00 44.10 O ATOM 471 CB ALA A 30 -0.308 6.679 4.022 1.00 55.00 C ATOM 0 H ALA A 30 -1.106 8.065 2.140 1.00 21.14 H new ATOM 0 HA ALA A 30 0.107 8.713 4.570 1.00 25.32 H new ATOM 0 HB1 ALA A 30 0.190 6.251 4.892 1.00 55.00 H new ATOM 0 HB2 ALA A 30 -1.374 6.778 4.226 1.00 55.00 H new ATOM 0 HB3 ALA A 30 -0.162 6.025 3.163 1.00 55.00 H new ATOM 477 N ILE A 31 2.152 7.416 2.350 1.00 13.23 N ATOM 478 CA ILE A 31 3.541 7.191 2.034 1.00 34.21 C ATOM 479 C ILE A 31 4.235 8.477 1.502 1.00 72.50 C ATOM 480 O ILE A 31 5.311 8.846 1.964 1.00 74.04 O ATOM 481 CB ILE A 31 3.698 5.980 1.034 1.00 53.52 C ATOM 482 CG1 ILE A 31 5.147 5.765 0.653 1.00 4.54 C ATOM 483 CG2 ILE A 31 2.839 6.142 -0.213 1.00 54.35 C ATOM 484 CD1 ILE A 31 5.379 4.629 -0.312 1.00 5.23 C ATOM 0 H ILE A 31 1.501 7.151 1.611 1.00 13.23 H new ATOM 0 HA ILE A 31 4.052 6.927 2.960 1.00 34.21 H new ATOM 0 HB ILE A 31 3.343 5.095 1.562 1.00 53.52 H new ATOM 0 HG12 ILE A 31 5.534 6.684 0.212 1.00 4.54 H new ATOM 0 HG13 ILE A 31 5.724 5.579 1.559 1.00 4.54 H new ATOM 0 HG21 ILE A 31 2.983 5.283 -0.868 1.00 54.35 H new ATOM 0 HG22 ILE A 31 1.790 6.207 0.074 1.00 54.35 H new ATOM 0 HG23 ILE A 31 3.129 7.052 -0.739 1.00 54.35 H new ATOM 0 HD11 ILE A 31 6.444 4.548 -0.529 1.00 5.23 H new ATOM 0 HD12 ILE A 31 5.027 3.697 0.131 1.00 5.23 H new ATOM 0 HD13 ILE A 31 4.834 4.820 -1.236 1.00 5.23 H new ATOM 496 N GLN A 32 3.566 9.178 0.611 1.00 41.23 N ATOM 497 CA GLN A 32 4.117 10.355 -0.065 1.00 53.02 C ATOM 498 C GLN A 32 4.195 11.603 0.825 1.00 24.21 C ATOM 499 O GLN A 32 5.154 12.361 0.753 1.00 70.12 O ATOM 500 CB GLN A 32 3.328 10.617 -1.358 1.00 21.23 C ATOM 501 CG GLN A 32 3.579 11.943 -2.013 1.00 62.21 C ATOM 502 CD GLN A 32 2.936 12.043 -3.366 1.00 70.34 C ATOM 503 OE1 GLN A 32 1.769 12.434 -3.491 1.00 62.00 O ATOM 504 NE2 GLN A 32 3.692 11.743 -4.385 1.00 74.23 N ATOM 0 H GLN A 32 2.613 8.952 0.326 1.00 41.23 H new ATOM 0 HA GLN A 32 5.155 10.132 -0.313 1.00 53.02 H new ATOM 0 HB2 GLN A 32 3.564 9.828 -2.073 1.00 21.23 H new ATOM 0 HB3 GLN A 32 2.264 10.537 -1.136 1.00 21.23 H new ATOM 0 HG2 GLN A 32 3.199 12.739 -1.373 1.00 62.21 H new ATOM 0 HG3 GLN A 32 4.653 12.099 -2.112 1.00 62.21 H new ATOM 0 HE21 GLN A 32 4.649 11.424 -4.234 1.00 74.23 H new ATOM 0 HE22 GLN A 32 3.326 11.827 -5.334 1.00 74.23 H new ATOM 513 N ASN A 33 3.217 11.798 1.691 1.00 22.10 N ATOM 514 CA ASN A 33 3.195 12.998 2.547 1.00 4.14 C ATOM 515 C ASN A 33 4.107 12.796 3.767 1.00 32.00 C ATOM 516 O ASN A 33 4.296 13.695 4.575 1.00 61.25 O ATOM 517 CB ASN A 33 1.734 13.322 2.968 1.00 11.53 C ATOM 518 CG ASN A 33 1.536 14.571 3.841 1.00 12.24 C ATOM 519 OD1 ASN A 33 0.638 14.602 4.688 1.00 63.23 O ATOM 520 ND2 ASN A 33 2.315 15.608 3.624 1.00 74.22 N ATOM 0 H ASN A 33 2.434 11.159 1.829 1.00 22.10 H new ATOM 0 HA ASN A 33 3.578 13.851 1.987 1.00 4.14 H new ATOM 0 HB2 ASN A 33 1.136 13.438 2.064 1.00 11.53 H new ATOM 0 HB3 ASN A 33 1.335 12.462 3.506 1.00 11.53 H new ATOM 0 HD21 ASN A 33 2.185 16.465 4.162 1.00 74.22 H new ATOM 0 HD22 ASN A 33 3.049 15.555 2.918 1.00 74.22 H new ATOM 527 N GLY A 34 4.716 11.619 3.842 1.00 15.24 N ATOM 528 CA GLY A 34 5.610 11.312 4.929 1.00 21.10 C ATOM 529 C GLY A 34 4.878 11.182 6.235 1.00 63.11 C ATOM 530 O GLY A 34 5.346 11.648 7.267 1.00 4.32 O ATOM 0 H GLY A 34 4.601 10.869 3.160 1.00 15.24 H new ATOM 0 HA2 GLY A 34 6.138 10.383 4.714 1.00 21.10 H new ATOM 0 HA3 GLY A 34 6.364 12.095 5.011 1.00 21.10 H new ATOM 534 N GLN A 35 3.737 10.509 6.198 1.00 35.43 N ATOM 535 CA GLN A 35 2.915 10.336 7.392 1.00 1.23 C ATOM 536 C GLN A 35 3.431 9.141 8.190 1.00 45.04 C ATOM 537 O GLN A 35 2.906 8.778 9.238 1.00 64.24 O ATOM 538 CB GLN A 35 1.442 10.170 7.005 1.00 31.42 C ATOM 539 CG GLN A 35 0.959 11.271 6.067 1.00 74.54 C ATOM 540 CD GLN A 35 -0.525 11.227 5.767 1.00 65.13 C ATOM 541 OE1 GLN A 35 -1.155 10.177 5.789 1.00 71.24 O ATOM 542 NE2 GLN A 35 -1.083 12.367 5.441 1.00 43.35 N ATOM 0 H GLN A 35 3.358 10.074 5.357 1.00 35.43 H new ATOM 0 HA GLN A 35 2.984 11.223 8.021 1.00 1.23 H new ATOM 0 HB2 GLN A 35 1.302 9.201 6.526 1.00 31.42 H new ATOM 0 HB3 GLN A 35 0.830 10.171 7.907 1.00 31.42 H new ATOM 0 HG2 GLN A 35 1.200 12.239 6.507 1.00 74.54 H new ATOM 0 HG3 GLN A 35 1.510 11.201 5.129 1.00 74.54 H new ATOM 0 HE21 GLN A 35 -0.528 13.223 5.433 1.00 43.35 H new ATOM 0 HE22 GLN A 35 -2.072 12.399 5.195 1.00 43.35 H new ATOM 551 N THR A 36 4.464 8.547 7.660 1.00 41.32 N ATOM 552 CA THR A 36 5.163 7.480 8.263 1.00 13.41 C ATOM 553 C THR A 36 6.599 7.537 7.743 1.00 53.30 C ATOM 554 O THR A 36 6.823 7.738 6.547 1.00 43.35 O ATOM 555 CB THR A 36 4.484 6.088 7.965 1.00 60.03 C ATOM 556 OG1 THR A 36 5.157 5.010 8.659 1.00 65.32 O ATOM 557 CG2 THR A 36 4.427 5.774 6.464 1.00 72.14 C ATOM 0 H THR A 36 4.848 8.817 6.754 1.00 41.32 H new ATOM 0 HA THR A 36 5.148 7.581 9.348 1.00 13.41 H new ATOM 0 HB THR A 36 3.462 6.167 8.334 1.00 60.03 H new ATOM 0 HG1 THR A 36 4.711 4.161 8.455 1.00 65.32 H new ATOM 0 HG21 THR A 36 3.951 4.805 6.313 1.00 72.14 H new ATOM 0 HG22 THR A 36 3.851 6.545 5.953 1.00 72.14 H new ATOM 0 HG23 THR A 36 5.439 5.748 6.059 1.00 72.14 H new ATOM 565 N PHE A 37 7.552 7.467 8.630 1.00 23.34 N ATOM 566 CA PHE A 37 8.937 7.462 8.234 1.00 13.23 C ATOM 567 C PHE A 37 9.470 6.087 8.444 1.00 34.41 C ATOM 568 O PHE A 37 9.031 5.383 9.365 1.00 45.43 O ATOM 569 CB PHE A 37 9.773 8.486 9.023 1.00 51.21 C ATOM 570 CG PHE A 37 9.313 9.911 8.850 1.00 75.23 C ATOM 571 CD1 PHE A 37 9.729 10.659 7.759 1.00 2.31 C ATOM 572 CD2 PHE A 37 8.464 10.501 9.774 1.00 22.45 C ATOM 573 CE1 PHE A 37 9.308 11.965 7.595 1.00 62.20 C ATOM 574 CE2 PHE A 37 8.042 11.805 9.617 1.00 1.13 C ATOM 575 CZ PHE A 37 8.464 12.539 8.526 1.00 21.30 C ATOM 0 H PHE A 37 7.396 7.412 9.637 1.00 23.34 H new ATOM 0 HA PHE A 37 9.005 7.750 7.185 1.00 13.23 H new ATOM 0 HB2 PHE A 37 9.739 8.229 10.082 1.00 51.21 H new ATOM 0 HB3 PHE A 37 10.814 8.410 8.709 1.00 51.21 H new ATOM 0 HD1 PHE A 37 10.390 10.216 7.029 1.00 2.31 H new ATOM 0 HD2 PHE A 37 8.128 9.932 10.628 1.00 22.45 H new ATOM 0 HE1 PHE A 37 9.638 12.536 6.740 1.00 62.20 H new ATOM 0 HE2 PHE A 37 7.382 12.251 10.346 1.00 1.13 H new ATOM 0 HZ PHE A 37 8.135 13.560 8.401 1.00 21.30 H new ATOM 585 N ASP A 38 10.365 5.681 7.601 1.00 71.14 N ATOM 586 CA ASP A 38 10.910 4.353 7.689 1.00 65.01 C ATOM 587 C ASP A 38 12.079 4.372 8.644 1.00 63.35 C ATOM 588 O ASP A 38 12.684 5.421 8.852 1.00 5.32 O ATOM 589 CB ASP A 38 11.371 3.868 6.318 1.00 41.32 C ATOM 590 CG ASP A 38 11.590 2.380 6.300 1.00 14.22 C ATOM 591 OD1 ASP A 38 12.672 1.938 6.687 1.00 24.43 O ATOM 592 OD2 ASP A 38 10.647 1.651 5.930 1.00 30.43 O ATOM 0 H ASP A 38 10.739 6.248 6.840 1.00 71.14 H new ATOM 0 HA ASP A 38 10.140 3.671 8.050 1.00 65.01 H new ATOM 0 HB2 ASP A 38 10.627 4.136 5.568 1.00 41.32 H new ATOM 0 HB3 ASP A 38 12.296 4.376 6.044 1.00 41.32 H new ATOM 597 N TYR A 39 12.411 3.228 9.197 1.00 22.53 N ATOM 598 CA TYR A 39 13.518 3.112 10.139 1.00 70.23 C ATOM 599 C TYR A 39 14.830 3.316 9.392 1.00 42.23 C ATOM 600 O TYR A 39 15.831 3.725 9.961 1.00 74.43 O ATOM 601 CB TYR A 39 13.506 1.737 10.823 1.00 14.23 C ATOM 602 CG TYR A 39 12.135 1.318 11.318 1.00 14.11 C ATOM 603 CD1 TYR A 39 11.370 2.155 12.128 1.00 52.21 C ATOM 604 CD2 TYR A 39 11.588 0.103 10.933 1.00 5.44 C ATOM 605 CE1 TYR A 39 10.106 1.782 12.542 1.00 40.33 C ATOM 606 CE2 TYR A 39 10.325 -0.270 11.336 1.00 11.42 C ATOM 607 CZ TYR A 39 9.589 0.570 12.139 1.00 22.04 C ATOM 608 OH TYR A 39 8.316 0.206 12.514 1.00 52.41 O ATOM 0 H TYR A 39 11.927 2.349 9.012 1.00 22.53 H new ATOM 0 HA TYR A 39 13.413 3.874 10.911 1.00 70.23 H new ATOM 0 HB2 TYR A 39 13.875 0.988 10.122 1.00 14.23 H new ATOM 0 HB3 TYR A 39 14.198 1.753 11.665 1.00 14.23 H new ATOM 0 HD1 TYR A 39 11.771 3.109 12.437 1.00 52.21 H new ATOM 0 HD2 TYR A 39 12.163 -0.562 10.306 1.00 5.44 H new ATOM 0 HE1 TYR A 39 9.527 2.436 13.177 1.00 40.33 H new ATOM 0 HE2 TYR A 39 9.914 -1.218 11.023 1.00 11.42 H new ATOM 0 HH TYR A 39 8.106 -0.677 12.145 1.00 52.41 H new ATOM 618 N LYS A 40 14.794 3.031 8.097 1.00 44.44 N ATOM 619 CA LYS A 40 15.904 3.187 7.220 1.00 25.12 C ATOM 620 C LYS A 40 15.881 4.607 6.593 1.00 21.45 C ATOM 621 O LYS A 40 16.747 4.968 5.821 1.00 42.52 O ATOM 622 CB LYS A 40 15.717 2.072 6.169 1.00 23.15 C ATOM 623 CG LYS A 40 16.505 2.171 4.903 1.00 63.42 C ATOM 624 CD LYS A 40 16.271 0.955 4.003 1.00 51.53 C ATOM 625 CE LYS A 40 14.816 0.812 3.521 1.00 74.05 C ATOM 626 NZ LYS A 40 14.584 -0.514 2.879 1.00 52.31 N ATOM 0 H LYS A 40 13.958 2.676 7.632 1.00 44.44 H new ATOM 0 HA LYS A 40 16.871 3.100 7.715 1.00 25.12 H new ATOM 0 HB2 LYS A 40 15.961 1.121 6.642 1.00 23.15 H new ATOM 0 HB3 LYS A 40 14.660 2.035 5.904 1.00 23.15 H new ATOM 0 HG2 LYS A 40 16.226 3.080 4.369 1.00 63.42 H new ATOM 0 HG3 LYS A 40 17.566 2.252 5.139 1.00 63.42 H new ATOM 0 HD2 LYS A 40 16.927 1.025 3.135 1.00 51.53 H new ATOM 0 HD3 LYS A 40 16.555 0.053 4.545 1.00 51.53 H new ATOM 0 HE2 LYS A 40 14.138 0.933 4.366 1.00 74.05 H new ATOM 0 HE3 LYS A 40 14.586 1.607 2.811 1.00 74.05 H new ATOM 0 HZ1 LYS A 40 13.683 -0.495 2.360 1.00 52.31 H new ATOM 0 HZ2 LYS A 40 15.360 -0.721 2.219 1.00 52.31 H new ATOM 0 HZ3 LYS A 40 14.546 -1.252 3.611 1.00 52.31 H new ATOM 640 N SER A 41 14.901 5.417 7.026 1.00 4.24 N ATOM 641 CA SER A 41 14.718 6.810 6.587 1.00 53.14 C ATOM 642 C SER A 41 14.657 6.935 5.038 1.00 40.52 C ATOM 643 O SER A 41 14.879 8.019 4.478 1.00 13.01 O ATOM 644 CB SER A 41 15.812 7.709 7.206 1.00 41.23 C ATOM 645 OG SER A 41 15.613 9.078 6.893 1.00 0.31 O ATOM 0 H SER A 41 14.201 5.116 7.704 1.00 4.24 H new ATOM 0 HA SER A 41 13.750 7.157 6.950 1.00 53.14 H new ATOM 0 HB2 SER A 41 15.817 7.581 8.288 1.00 41.23 H new ATOM 0 HB3 SER A 41 16.790 7.392 6.843 1.00 41.23 H new ATOM 0 HG SER A 41 15.377 9.166 5.946 1.00 0.31 H new ATOM 651 N ASN A 42 14.257 5.851 4.388 1.00 42.35 N ATOM 652 CA ASN A 42 14.191 5.770 2.932 1.00 25.23 C ATOM 653 C ASN A 42 13.129 6.719 2.385 1.00 64.10 C ATOM 654 O ASN A 42 11.985 6.701 2.865 1.00 2.50 O ATOM 655 CB ASN A 42 13.851 4.317 2.519 1.00 71.12 C ATOM 656 CG ASN A 42 13.559 4.123 1.018 1.00 41.05 C ATOM 657 OD1 ASN A 42 14.294 4.776 0.154 1.00 72.11 O flip ATOM 658 ND2 ASN A 42 12.738 3.281 0.653 1.00 5.11 N flip ATOM 0 H ASN A 42 13.966 4.994 4.859 1.00 42.35 H new ATOM 0 HA ASN A 42 15.157 6.060 2.519 1.00 25.23 H new ATOM 0 HB2 ASN A 42 14.683 3.670 2.799 1.00 71.12 H new ATOM 0 HB3 ASN A 42 12.983 3.986 3.089 1.00 71.12 H new ATOM 0 HD21 ASN A 42 12.176 2.784 1.344 1.00 5.11 H new ATOM 0 HD22 ASN A 42 12.620 3.081 -0.340 1.00 5.11 H new ATOM 665 N PRO A 43 13.519 7.629 1.448 1.00 24.10 N ATOM 666 CA PRO A 43 12.588 8.500 0.746 1.00 63.44 C ATOM 667 C PRO A 43 11.447 7.709 0.111 1.00 12.44 C ATOM 668 O PRO A 43 11.613 7.036 -0.890 1.00 12.54 O ATOM 669 CB PRO A 43 13.449 9.164 -0.332 1.00 54.51 C ATOM 670 CG PRO A 43 14.818 9.166 0.240 1.00 54.44 C ATOM 671 CD PRO A 43 14.923 7.914 1.061 1.00 34.05 C ATOM 0 HA PRO A 43 12.111 9.216 1.415 1.00 63.44 H new ATOM 0 HB2 PRO A 43 13.411 8.609 -1.269 1.00 54.51 H new ATOM 0 HB3 PRO A 43 13.106 10.176 -0.547 1.00 54.51 H new ATOM 0 HG2 PRO A 43 15.571 9.180 -0.548 1.00 54.44 H new ATOM 0 HG3 PRO A 43 14.983 10.051 0.855 1.00 54.44 H new ATOM 0 HD2 PRO A 43 15.355 7.094 0.487 1.00 34.05 H new ATOM 0 HD3 PRO A 43 15.558 8.060 1.935 1.00 34.05 H new ATOM 679 N TYR A 44 10.318 7.808 0.744 1.00 10.42 N ATOM 680 CA TYR A 44 9.092 7.118 0.392 1.00 42.15 C ATOM 681 C TYR A 44 8.387 7.638 -0.850 1.00 55.40 C ATOM 682 O TYR A 44 7.379 7.063 -1.252 1.00 2.01 O ATOM 683 CB TYR A 44 8.117 7.127 1.548 1.00 54.11 C ATOM 684 CG TYR A 44 8.271 6.019 2.557 1.00 51.33 C ATOM 685 CD1 TYR A 44 8.356 4.689 2.152 1.00 53.31 C ATOM 686 CD2 TYR A 44 8.253 6.291 3.909 1.00 21.22 C ATOM 687 CE1 TYR A 44 8.421 3.668 3.073 1.00 4.52 C ATOM 688 CE2 TYR A 44 8.331 5.276 4.835 1.00 53.24 C ATOM 689 CZ TYR A 44 8.412 3.969 4.411 1.00 23.05 C ATOM 690 OH TYR A 44 8.458 2.959 5.344 1.00 34.13 O ATOM 0 H TYR A 44 10.211 8.402 1.566 1.00 10.42 H new ATOM 0 HA TYR A 44 9.416 6.104 0.158 1.00 42.15 H new ATOM 0 HB2 TYR A 44 8.212 8.080 2.069 1.00 54.11 H new ATOM 0 HB3 TYR A 44 7.106 7.084 1.144 1.00 54.11 H new ATOM 0 HD1 TYR A 44 8.371 4.455 1.098 1.00 53.31 H new ATOM 0 HD2 TYR A 44 8.177 7.314 4.246 1.00 21.22 H new ATOM 0 HE1 TYR A 44 8.478 2.641 2.745 1.00 4.52 H new ATOM 0 HE2 TYR A 44 8.329 5.504 5.891 1.00 53.24 H new ATOM 0 HH TYR A 44 9.215 2.368 5.149 1.00 34.13 H new ATOM 700 N ASP A 45 8.873 8.686 -1.472 1.00 60.43 N ATOM 701 CA ASP A 45 8.071 9.284 -2.525 1.00 51.33 C ATOM 702 C ASP A 45 8.170 8.469 -3.796 1.00 12.44 C ATOM 703 O ASP A 45 9.199 7.852 -4.104 1.00 54.42 O ATOM 704 CB ASP A 45 8.390 10.764 -2.768 1.00 14.15 C ATOM 705 CG ASP A 45 7.453 11.380 -3.806 1.00 12.32 C ATOM 706 OD1 ASP A 45 6.226 11.037 -3.793 1.00 24.11 O ATOM 707 OD2 ASP A 45 7.922 12.150 -4.647 1.00 3.23 O ATOM 0 H ASP A 45 9.773 9.128 -1.285 1.00 60.43 H new ATOM 0 HA ASP A 45 7.036 9.265 -2.182 1.00 51.33 H new ATOM 0 HB2 ASP A 45 8.306 11.313 -1.830 1.00 14.15 H new ATOM 0 HB3 ASP A 45 9.422 10.864 -3.104 1.00 14.15 H new ATOM 712 N ILE A 46 7.078 8.444 -4.473 1.00 30.22 N ATOM 713 CA ILE A 46 6.794 7.541 -5.540 1.00 34.42 C ATOM 714 C ILE A 46 7.542 7.883 -6.828 1.00 52.31 C ATOM 715 O ILE A 46 7.496 8.999 -7.306 1.00 45.42 O ATOM 716 CB ILE A 46 5.238 7.447 -5.769 1.00 44.41 C ATOM 717 CG1 ILE A 46 4.513 6.698 -4.623 1.00 51.22 C ATOM 718 CG2 ILE A 46 4.892 6.818 -7.080 1.00 71.25 C ATOM 719 CD1 ILE A 46 4.471 7.415 -3.292 1.00 1.12 C ATOM 0 H ILE A 46 6.311 9.090 -4.289 1.00 30.22 H new ATOM 0 HA ILE A 46 7.162 6.559 -5.244 1.00 34.42 H new ATOM 0 HB ILE A 46 4.886 8.479 -5.779 1.00 44.41 H new ATOM 0 HG12 ILE A 46 3.489 6.495 -4.937 1.00 51.22 H new ATOM 0 HG13 ILE A 46 5.000 5.733 -4.480 1.00 51.22 H new ATOM 0 HG21 ILE A 46 3.808 6.777 -7.189 1.00 71.25 H new ATOM 0 HG22 ILE A 46 5.316 7.410 -7.891 1.00 71.25 H new ATOM 0 HG23 ILE A 46 5.299 5.808 -7.117 1.00 71.25 H new ATOM 0 HD11 ILE A 46 3.941 6.801 -2.564 1.00 1.12 H new ATOM 0 HD12 ILE A 46 5.488 7.594 -2.943 1.00 1.12 H new ATOM 0 HD13 ILE A 46 3.954 8.368 -3.408 1.00 1.12 H new ATOM 731 N SER A 47 8.202 6.887 -7.391 1.00 42.35 N ATOM 732 CA SER A 47 8.937 7.075 -8.603 1.00 64.40 C ATOM 733 C SER A 47 8.058 6.703 -9.801 1.00 33.53 C ATOM 734 O SER A 47 8.227 7.251 -10.885 1.00 64.14 O ATOM 735 CB SER A 47 10.222 6.228 -8.572 1.00 1.43 C ATOM 736 OG SER A 47 11.023 6.434 -9.724 1.00 21.15 O ATOM 0 H SER A 47 8.237 5.939 -7.016 1.00 42.35 H new ATOM 0 HA SER A 47 9.224 8.122 -8.700 1.00 64.40 H new ATOM 0 HB2 SER A 47 10.798 6.476 -7.681 1.00 1.43 H new ATOM 0 HB3 SER A 47 9.959 5.173 -8.498 1.00 1.43 H new ATOM 0 HG SER A 47 11.829 5.880 -9.665 1.00 21.15 H new ATOM 742 N VAL A 48 7.120 5.763 -9.607 1.00 1.42 N ATOM 743 CA VAL A 48 6.119 5.470 -10.658 1.00 75.34 C ATOM 744 C VAL A 48 4.762 5.230 -9.999 1.00 3.24 C ATOM 745 O VAL A 48 4.656 4.420 -9.069 1.00 4.04 O ATOM 746 CB VAL A 48 6.485 4.166 -11.471 1.00 50.22 C ATOM 747 CG1 VAL A 48 5.435 3.859 -12.538 1.00 51.34 C ATOM 748 CG2 VAL A 48 7.867 4.252 -12.111 1.00 1.54 C ATOM 0 H VAL A 48 7.029 5.204 -8.759 1.00 1.42 H new ATOM 0 HA VAL A 48 6.098 6.322 -11.338 1.00 75.34 H new ATOM 0 HB VAL A 48 6.500 3.350 -10.748 1.00 50.22 H new ATOM 0 HG11 VAL A 48 5.718 2.956 -13.078 1.00 51.34 H new ATOM 0 HG12 VAL A 48 4.466 3.708 -12.062 1.00 51.34 H new ATOM 0 HG13 VAL A 48 5.371 4.694 -13.236 1.00 51.34 H new ATOM 0 HG21 VAL A 48 8.072 3.332 -12.658 1.00 1.54 H new ATOM 0 HG22 VAL A 48 7.898 5.098 -12.798 1.00 1.54 H new ATOM 0 HG23 VAL A 48 8.620 4.388 -11.334 1.00 1.54 H new ATOM 758 N ASN A 49 3.746 5.926 -10.464 1.00 3.30 N ATOM 759 CA ASN A 49 2.378 5.733 -10.002 1.00 61.11 C ATOM 760 C ASN A 49 1.500 5.314 -11.162 1.00 53.42 C ATOM 761 O ASN A 49 1.616 5.877 -12.250 1.00 21.41 O ATOM 762 CB ASN A 49 1.806 6.991 -9.286 1.00 30.13 C ATOM 763 CG ASN A 49 1.433 8.139 -10.216 1.00 54.33 C ATOM 764 OD1 ASN A 49 2.266 8.952 -10.581 1.00 63.02 O ATOM 765 ND2 ASN A 49 0.161 8.250 -10.541 1.00 33.30 N ATOM 0 H ASN A 49 3.842 6.648 -11.178 1.00 3.30 H new ATOM 0 HA ASN A 49 2.388 4.938 -9.256 1.00 61.11 H new ATOM 0 HB2 ASN A 49 0.922 6.699 -8.719 1.00 30.13 H new ATOM 0 HB3 ASN A 49 2.542 7.349 -8.566 1.00 30.13 H new ATOM 0 HD21 ASN A 49 -0.152 9.033 -11.114 1.00 33.30 H new ATOM 0 HD22 ASN A 49 -0.510 7.553 -10.219 1.00 33.30 H new ATOM 772 N LYS A 50 0.680 4.313 -10.992 1.00 11.33 N ATOM 773 CA LYS A 50 -0.273 3.997 -12.034 1.00 74.22 C ATOM 774 C LYS A 50 -1.626 3.765 -11.400 1.00 14.05 C ATOM 775 O LYS A 50 -1.710 3.210 -10.297 1.00 71.44 O ATOM 776 CB LYS A 50 0.112 2.657 -12.668 1.00 42.03 C ATOM 777 CG LYS A 50 1.543 2.528 -13.149 1.00 45.31 C ATOM 778 CD LYS A 50 1.887 1.062 -13.274 1.00 41.31 C ATOM 779 CE LYS A 50 3.323 0.830 -13.661 1.00 22.14 C ATOM 780 NZ LYS A 50 3.681 -0.606 -13.546 1.00 14.43 N ATOM 0 H LYS A 50 0.646 3.713 -10.168 1.00 11.33 H new ATOM 0 HA LYS A 50 -0.288 4.809 -12.761 1.00 74.22 H new ATOM 0 HB2 LYS A 50 -0.077 1.868 -11.940 1.00 42.03 H new ATOM 0 HB3 LYS A 50 -0.551 2.476 -13.514 1.00 42.03 H new ATOM 0 HG2 LYS A 50 1.664 3.027 -14.111 1.00 45.31 H new ATOM 0 HG3 LYS A 50 2.221 3.016 -12.449 1.00 45.31 H new ATOM 0 HD2 LYS A 50 1.686 0.564 -12.325 1.00 41.31 H new ATOM 0 HD3 LYS A 50 1.236 0.603 -14.018 1.00 41.31 H new ATOM 0 HE2 LYS A 50 3.486 1.168 -14.684 1.00 22.14 H new ATOM 0 HE3 LYS A 50 3.976 1.423 -13.021 1.00 22.14 H new ATOM 0 HZ1 LYS A 50 4.373 -0.731 -12.780 1.00 14.43 H new ATOM 0 HZ2 LYS A 50 2.827 -1.161 -13.336 1.00 14.43 H new ATOM 0 HZ3 LYS A 50 4.094 -0.934 -14.442 1.00 14.43 H new ATOM 794 N ASN A 51 -2.657 4.250 -12.025 1.00 64.44 N ATOM 795 CA ASN A 51 -4.009 3.811 -11.763 1.00 63.11 C ATOM 796 C ASN A 51 -4.472 3.152 -13.039 1.00 12.31 C ATOM 797 O ASN A 51 -4.226 3.703 -14.108 1.00 62.55 O ATOM 798 CB ASN A 51 -4.924 4.963 -11.339 1.00 34.23 C ATOM 799 CG ASN A 51 -6.293 4.517 -10.794 1.00 64.55 C ATOM 800 OD1 ASN A 51 -6.834 3.493 -11.171 1.00 2.14 O ATOM 801 ND2 ASN A 51 -6.848 5.293 -9.895 1.00 13.13 N ATOM 0 H ASN A 51 -2.589 4.972 -12.742 1.00 64.44 H new ATOM 0 HA ASN A 51 -4.044 3.117 -10.923 1.00 63.11 H new ATOM 0 HB2 ASN A 51 -4.417 5.552 -10.575 1.00 34.23 H new ATOM 0 HB3 ASN A 51 -5.083 5.619 -12.195 1.00 34.23 H new ATOM 0 HD21 ASN A 51 -7.753 5.044 -9.495 1.00 13.13 H new ATOM 0 HD22 ASN A 51 -6.375 6.146 -9.595 1.00 13.13 H new ATOM 808 N ASN A 52 -5.097 2.043 -12.964 1.00 53.01 N ATOM 809 CA ASN A 52 -5.558 1.357 -14.180 1.00 51.35 C ATOM 810 C ASN A 52 -7.078 1.150 -14.114 1.00 32.42 C ATOM 811 O ASN A 52 -7.684 0.428 -14.902 1.00 3.52 O ATOM 812 CB ASN A 52 -4.818 0.020 -14.339 1.00 45.12 C ATOM 813 CG ASN A 52 -5.045 -0.670 -15.683 1.00 72.50 C ATOM 814 OD1 ASN A 52 -5.233 -0.024 -16.716 1.00 45.23 O ATOM 815 ND2 ASN A 52 -5.040 -1.974 -15.672 1.00 52.42 N ATOM 0 H ASN A 52 -5.318 1.563 -12.091 1.00 53.01 H new ATOM 0 HA ASN A 52 -5.336 1.970 -15.053 1.00 51.35 H new ATOM 0 HB2 ASN A 52 -3.750 0.192 -14.208 1.00 45.12 H new ATOM 0 HB3 ASN A 52 -5.132 -0.653 -13.541 1.00 45.12 H new ATOM 0 HD21 ASN A 52 -5.195 -2.492 -16.537 1.00 52.42 H new ATOM 0 HD22 ASN A 52 -4.881 -2.476 -14.798 1.00 52.42 H new ATOM 822 N GLY A 53 -7.700 1.765 -13.129 1.00 21.22 N ATOM 823 CA GLY A 53 -9.140 1.698 -12.994 1.00 20.23 C ATOM 824 C GLY A 53 -9.613 0.451 -12.271 1.00 2.13 C ATOM 825 O GLY A 53 -10.635 0.477 -11.555 1.00 53.33 O ATOM 0 H GLY A 53 -7.231 2.317 -12.411 1.00 21.22 H new ATOM 0 HA2 GLY A 53 -9.490 2.578 -12.454 1.00 20.23 H new ATOM 0 HA3 GLY A 53 -9.594 1.730 -13.985 1.00 20.23 H new ATOM 829 N THR A 54 -8.927 -0.637 -12.477 1.00 43.34 N ATOM 830 CA THR A 54 -9.241 -1.876 -11.822 1.00 44.01 C ATOM 831 C THR A 54 -8.096 -2.299 -10.892 1.00 72.22 C ATOM 832 O THR A 54 -8.289 -3.100 -9.967 1.00 32.23 O ATOM 833 CB THR A 54 -9.593 -2.993 -12.854 1.00 71.23 C ATOM 834 OG1 THR A 54 -9.941 -4.214 -12.187 1.00 4.03 O ATOM 835 CG2 THR A 54 -8.448 -3.246 -13.832 1.00 21.41 C ATOM 0 H THR A 54 -8.128 -0.690 -13.109 1.00 43.34 H new ATOM 0 HA THR A 54 -10.129 -1.722 -11.208 1.00 44.01 H new ATOM 0 HB THR A 54 -10.452 -2.639 -13.424 1.00 71.23 H new ATOM 0 HG1 THR A 54 -10.159 -4.900 -12.852 1.00 4.03 H new ATOM 0 HG21 THR A 54 -8.735 -4.030 -14.533 1.00 21.41 H new ATOM 0 HG22 THR A 54 -8.230 -2.330 -14.382 1.00 21.41 H new ATOM 0 HG23 THR A 54 -7.561 -3.558 -13.281 1.00 21.41 H new ATOM 843 N ASP A 55 -6.942 -1.741 -11.122 1.00 31.10 N ATOM 844 CA ASP A 55 -5.772 -1.997 -10.322 1.00 32.41 C ATOM 845 C ASP A 55 -4.996 -0.710 -10.203 1.00 24.43 C ATOM 846 O ASP A 55 -5.275 0.252 -10.937 1.00 40.44 O ATOM 847 CB ASP A 55 -4.891 -3.116 -10.919 1.00 63.43 C ATOM 848 CG ASP A 55 -4.360 -2.794 -12.296 1.00 22.43 C ATOM 849 OD1 ASP A 55 -3.293 -2.176 -12.399 1.00 21.44 O ATOM 850 OD2 ASP A 55 -5.035 -3.154 -13.288 1.00 42.55 O ATOM 0 H ASP A 55 -6.782 -1.083 -11.884 1.00 31.10 H new ATOM 0 HA ASP A 55 -6.083 -2.347 -9.338 1.00 32.41 H new ATOM 0 HB2 ASP A 55 -4.052 -3.303 -10.249 1.00 63.43 H new ATOM 0 HB3 ASP A 55 -5.471 -4.037 -10.968 1.00 63.43 H new ATOM 855 N ALA A 56 -4.122 -0.643 -9.243 1.00 40.32 N ATOM 856 CA ALA A 56 -3.309 0.528 -9.017 1.00 25.51 C ATOM 857 C ALA A 56 -1.966 0.115 -8.474 1.00 45.42 C ATOM 858 O ALA A 56 -1.875 -0.857 -7.718 1.00 74.12 O ATOM 859 CB ALA A 56 -3.994 1.508 -8.079 1.00 32.04 C ATOM 0 H ALA A 56 -3.947 -1.403 -8.586 1.00 40.32 H new ATOM 0 HA ALA A 56 -3.167 1.039 -9.969 1.00 25.51 H new ATOM 0 HB1 ALA A 56 -3.354 2.378 -7.931 1.00 32.04 H new ATOM 0 HB2 ALA A 56 -4.942 1.825 -8.513 1.00 32.04 H new ATOM 0 HB3 ALA A 56 -4.178 1.025 -7.119 1.00 32.04 H new ATOM 865 N GLU A 57 -0.943 0.834 -8.846 1.00 63.11 N ATOM 866 CA GLU A 57 0.404 0.511 -8.446 1.00 34.15 C ATOM 867 C GLU A 57 1.141 1.794 -8.086 1.00 14.32 C ATOM 868 O GLU A 57 1.037 2.790 -8.804 1.00 44.03 O ATOM 869 CB GLU A 57 1.130 -0.147 -9.626 1.00 41.33 C ATOM 870 CG GLU A 57 2.511 -0.700 -9.308 1.00 64.13 C ATOM 871 CD GLU A 57 3.292 -1.005 -10.566 1.00 14.41 C ATOM 872 OE1 GLU A 57 2.967 -1.948 -11.290 1.00 30.12 O ATOM 873 OE2 GLU A 57 4.203 -0.237 -10.914 1.00 60.10 O ATOM 0 H GLU A 57 -1.017 1.663 -9.436 1.00 63.11 H new ATOM 0 HA GLU A 57 0.380 -0.163 -7.590 1.00 34.15 H new ATOM 0 HB2 GLU A 57 0.510 -0.958 -10.007 1.00 41.33 H new ATOM 0 HB3 GLU A 57 1.225 0.585 -10.428 1.00 41.33 H new ATOM 0 HG2 GLU A 57 3.062 0.020 -8.703 1.00 64.13 H new ATOM 0 HG3 GLU A 57 2.412 -1.607 -8.712 1.00 64.13 H new ATOM 880 N ILE A 58 1.811 1.802 -6.967 1.00 21.14 N ATOM 881 CA ILE A 58 2.706 2.852 -6.632 1.00 45.25 C ATOM 882 C ILE A 58 4.032 2.251 -6.247 1.00 32.53 C ATOM 883 O ILE A 58 4.091 1.370 -5.369 1.00 42.03 O ATOM 884 CB ILE A 58 2.226 3.831 -5.520 1.00 44.21 C ATOM 885 CG1 ILE A 58 1.574 3.153 -4.282 1.00 30.31 C ATOM 886 CG2 ILE A 58 1.370 4.959 -6.077 1.00 13.44 C ATOM 887 CD1 ILE A 58 0.109 2.774 -4.438 1.00 53.22 C ATOM 0 H ILE A 58 1.744 1.068 -6.261 1.00 21.14 H new ATOM 0 HA ILE A 58 2.777 3.473 -7.525 1.00 45.25 H new ATOM 0 HB ILE A 58 3.145 4.272 -5.133 1.00 44.21 H new ATOM 0 HG12 ILE A 58 2.140 2.253 -4.042 1.00 30.31 H new ATOM 0 HG13 ILE A 58 1.668 3.826 -3.430 1.00 30.31 H new ATOM 0 HG21 ILE A 58 1.059 5.615 -5.264 1.00 13.44 H new ATOM 0 HG22 ILE A 58 1.948 5.530 -6.804 1.00 13.44 H new ATOM 0 HG23 ILE A 58 0.488 4.541 -6.563 1.00 13.44 H new ATOM 0 HD11 ILE A 58 -0.246 2.309 -3.518 1.00 53.22 H new ATOM 0 HD12 ILE A 58 -0.479 3.669 -4.643 1.00 53.22 H new ATOM 0 HD13 ILE A 58 0.001 2.072 -5.265 1.00 53.22 H new ATOM 899 N VAL A 59 5.078 2.679 -6.915 1.00 61.55 N ATOM 900 CA VAL A 59 6.404 2.158 -6.678 1.00 31.03 C ATOM 901 C VAL A 59 7.371 3.269 -6.310 1.00 55.23 C ATOM 902 O VAL A 59 7.487 4.276 -7.020 1.00 20.43 O ATOM 903 CB VAL A 59 6.966 1.388 -7.918 1.00 15.14 C ATOM 904 CG1 VAL A 59 8.366 0.840 -7.648 1.00 45.54 C ATOM 905 CG2 VAL A 59 6.045 0.258 -8.311 1.00 53.51 C ATOM 0 H VAL A 59 5.034 3.398 -7.637 1.00 61.55 H new ATOM 0 HA VAL A 59 6.313 1.459 -5.846 1.00 31.03 H new ATOM 0 HB VAL A 59 7.027 2.101 -8.740 1.00 15.14 H new ATOM 0 HG11 VAL A 59 8.726 0.311 -8.530 1.00 45.54 H new ATOM 0 HG12 VAL A 59 9.041 1.664 -7.418 1.00 45.54 H new ATOM 0 HG13 VAL A 59 8.331 0.153 -6.802 1.00 45.54 H new ATOM 0 HG21 VAL A 59 6.457 -0.263 -9.176 1.00 53.51 H new ATOM 0 HG22 VAL A 59 5.949 -0.439 -7.479 1.00 53.51 H new ATOM 0 HG23 VAL A 59 5.063 0.659 -8.563 1.00 53.51 H new ATOM 915 N SER A 60 8.024 3.091 -5.210 1.00 1.10 N ATOM 916 CA SER A 60 9.077 3.949 -4.773 1.00 61.10 C ATOM 917 C SER A 60 10.333 3.079 -4.692 1.00 25.21 C ATOM 918 O SER A 60 10.224 1.848 -4.704 1.00 24.03 O ATOM 919 CB SER A 60 8.733 4.575 -3.410 1.00 33.10 C ATOM 920 OG SER A 60 9.741 5.466 -2.998 1.00 63.51 O ATOM 0 H SER A 60 7.834 2.320 -4.570 1.00 1.10 H new ATOM 0 HA SER A 60 9.230 4.780 -5.462 1.00 61.10 H new ATOM 0 HB2 SER A 60 7.781 5.102 -3.477 1.00 33.10 H new ATOM 0 HB3 SER A 60 8.610 3.789 -2.665 1.00 33.10 H new ATOM 0 HG SER A 60 9.729 6.261 -3.571 1.00 63.51 H new ATOM 926 N ALA A 61 11.488 3.674 -4.635 1.00 74.41 N ATOM 927 CA ALA A 61 12.734 2.909 -4.610 1.00 74.54 C ATOM 928 C ALA A 61 13.533 3.169 -3.335 1.00 75.15 C ATOM 929 O ALA A 61 13.541 4.286 -2.813 1.00 4.34 O ATOM 930 CB ALA A 61 13.575 3.229 -5.840 1.00 64.11 C ATOM 0 H ALA A 61 11.610 4.686 -4.604 1.00 74.41 H new ATOM 0 HA ALA A 61 12.473 1.851 -4.623 1.00 74.54 H new ATOM 0 HB1 ALA A 61 14.500 2.653 -5.809 1.00 64.11 H new ATOM 0 HB2 ALA A 61 13.017 2.971 -6.740 1.00 64.11 H new ATOM 0 HB3 ALA A 61 13.811 4.293 -5.853 1.00 64.11 H new ATOM 936 N SER A 62 14.187 2.145 -2.829 1.00 73.23 N ATOM 937 CA SER A 62 15.011 2.292 -1.668 1.00 14.24 C ATOM 938 C SER A 62 16.426 2.719 -2.048 1.00 32.32 C ATOM 939 O SER A 62 17.008 2.208 -2.999 1.00 12.14 O ATOM 940 CB SER A 62 15.006 1.020 -0.826 1.00 72.21 C ATOM 941 OG SER A 62 13.703 0.765 -0.310 1.00 60.54 O ATOM 0 H SER A 62 14.158 1.200 -3.212 1.00 73.23 H new ATOM 0 HA SER A 62 14.590 3.087 -1.053 1.00 14.24 H new ATOM 0 HB2 SER A 62 15.335 0.175 -1.432 1.00 72.21 H new ATOM 0 HB3 SER A 62 15.715 1.119 -0.004 1.00 72.21 H new ATOM 0 HG SER A 62 13.711 -0.072 0.200 1.00 60.54 H new ATOM 947 N ASP A 63 16.944 3.676 -1.313 1.00 41.31 N ATOM 948 CA ASP A 63 18.271 4.242 -1.553 1.00 62.14 C ATOM 949 C ASP A 63 19.358 3.383 -0.924 1.00 2.42 C ATOM 950 O ASP A 63 20.461 3.280 -1.454 1.00 14.21 O ATOM 951 CB ASP A 63 18.323 5.636 -0.919 1.00 73.34 C ATOM 952 CG ASP A 63 17.992 5.564 0.562 1.00 41.31 C ATOM 953 OD1 ASP A 63 16.783 5.464 0.889 1.00 60.50 O ATOM 954 OD2 ASP A 63 18.912 5.505 1.382 1.00 55.13 O ATOM 0 H ASP A 63 16.458 4.095 -0.520 1.00 41.31 H new ATOM 0 HA ASP A 63 18.443 4.287 -2.628 1.00 62.14 H new ATOM 0 HB2 ASP A 63 19.315 6.066 -1.055 1.00 73.34 H new ATOM 0 HB3 ASP A 63 17.618 6.297 -1.423 1.00 73.34 H new ATOM 959 N SER A 64 19.037 2.744 0.178 1.00 42.02 N ATOM 960 CA SER A 64 19.991 1.907 0.844 1.00 1.30 C ATOM 961 C SER A 64 19.934 0.510 0.234 1.00 23.30 C ATOM 962 O SER A 64 20.959 -0.122 -0.045 1.00 40.15 O ATOM 963 CB SER A 64 19.660 1.858 2.329 1.00 70.00 C ATOM 964 OG SER A 64 19.456 3.168 2.865 1.00 14.22 O ATOM 0 H SER A 64 18.122 2.792 0.627 1.00 42.02 H new ATOM 0 HA SER A 64 20.998 2.305 0.723 1.00 1.30 H new ATOM 0 HB2 SER A 64 18.764 1.257 2.483 1.00 70.00 H new ATOM 0 HB3 SER A 64 20.470 1.366 2.867 1.00 70.00 H new ATOM 0 HG SER A 64 19.430 3.820 2.134 1.00 14.22 H new ATOM 970 N ASP A 65 18.728 0.048 -0.009 1.00 42.43 N ATOM 971 CA ASP A 65 18.526 -1.237 -0.620 1.00 21.20 C ATOM 972 C ASP A 65 18.380 -1.053 -2.087 1.00 11.52 C ATOM 973 O ASP A 65 17.295 -0.769 -2.571 1.00 32.30 O ATOM 974 CB ASP A 65 17.270 -1.945 -0.111 1.00 11.22 C ATOM 975 CG ASP A 65 17.304 -2.347 1.324 1.00 21.32 C ATOM 976 OD1 ASP A 65 16.880 -1.539 2.173 1.00 44.34 O ATOM 977 OD2 ASP A 65 17.709 -3.483 1.613 1.00 73.50 O ATOM 0 H ASP A 65 17.869 0.551 0.211 1.00 42.43 H new ATOM 0 HA ASP A 65 19.389 -1.852 -0.366 1.00 21.20 H new ATOM 0 HB2 ASP A 65 16.414 -1.289 -0.267 1.00 11.22 H new ATOM 0 HB3 ASP A 65 17.104 -2.836 -0.717 1.00 11.22 H new ATOM 982 N SER A 66 19.465 -1.206 -2.797 1.00 30.44 N ATOM 983 CA SER A 66 19.467 -1.089 -4.248 1.00 61.44 C ATOM 984 C SER A 66 18.585 -2.181 -4.890 1.00 21.52 C ATOM 985 O SER A 66 18.184 -2.072 -6.041 1.00 52.15 O ATOM 986 CB SER A 66 20.915 -1.161 -4.779 1.00 31.43 C ATOM 987 OG SER A 66 20.973 -1.021 -6.188 1.00 11.31 O ATOM 0 H SER A 66 20.378 -1.416 -2.395 1.00 30.44 H new ATOM 0 HA SER A 66 19.044 -0.123 -4.522 1.00 61.44 H new ATOM 0 HB2 SER A 66 21.511 -0.377 -4.312 1.00 31.43 H new ATOM 0 HB3 SER A 66 21.359 -2.114 -4.491 1.00 31.43 H new ATOM 0 HG SER A 66 21.906 -1.071 -6.484 1.00 11.31 H new ATOM 993 N THR A 67 18.296 -3.217 -4.132 1.00 4.23 N ATOM 994 CA THR A 67 17.512 -4.313 -4.610 1.00 2.44 C ATOM 995 C THR A 67 16.057 -4.229 -4.088 1.00 2.15 C ATOM 996 O THR A 67 15.237 -5.117 -4.376 1.00 12.15 O ATOM 997 CB THR A 67 18.170 -5.674 -4.200 1.00 72.01 C ATOM 998 OG1 THR A 67 17.441 -6.779 -4.742 1.00 53.40 O ATOM 999 CG2 THR A 67 18.255 -5.816 -2.679 1.00 22.33 C ATOM 0 H THR A 67 18.604 -3.314 -3.164 1.00 4.23 H new ATOM 0 HA THR A 67 17.479 -4.257 -5.698 1.00 2.44 H new ATOM 0 HB THR A 67 19.181 -5.678 -4.609 1.00 72.01 H new ATOM 0 HG1 THR A 67 16.488 -6.555 -4.780 1.00 53.40 H new ATOM 0 HG21 THR A 67 18.716 -6.771 -2.428 1.00 22.33 H new ATOM 0 HG22 THR A 67 18.857 -5.004 -2.271 1.00 22.33 H new ATOM 0 HG23 THR A 67 17.253 -5.774 -2.253 1.00 22.33 H new ATOM 1007 N ASP A 68 15.716 -3.167 -3.361 1.00 61.11 N ATOM 1008 CA ASP A 68 14.371 -3.080 -2.810 1.00 53.35 C ATOM 1009 C ASP A 68 13.652 -1.817 -3.243 1.00 5.14 C ATOM 1010 O ASP A 68 14.263 -0.790 -3.558 1.00 31.14 O ATOM 1011 CB ASP A 68 14.324 -3.274 -1.280 1.00 41.44 C ATOM 1012 CG ASP A 68 12.898 -3.319 -0.744 1.00 74.12 C ATOM 1013 OD1 ASP A 68 12.018 -3.942 -1.420 1.00 23.44 O ATOM 1014 OD2 ASP A 68 12.623 -2.723 0.303 1.00 15.22 O ATOM 0 H ASP A 68 16.330 -2.381 -3.146 1.00 61.11 H new ATOM 0 HA ASP A 68 13.826 -3.922 -3.236 1.00 53.35 H new ATOM 0 HB2 ASP A 68 14.837 -4.199 -1.018 1.00 41.44 H new ATOM 0 HB3 ASP A 68 14.866 -2.461 -0.797 1.00 41.44 H new ATOM 1019 N SER A 69 12.375 -1.932 -3.295 1.00 62.14 N ATOM 1020 CA SER A 69 11.492 -0.931 -3.752 1.00 32.13 C ATOM 1021 C SER A 69 10.185 -1.065 -2.988 1.00 32.14 C ATOM 1022 O SER A 69 9.788 -2.188 -2.651 1.00 62.31 O ATOM 1023 CB SER A 69 11.283 -1.145 -5.252 1.00 64.24 C ATOM 1024 OG SER A 69 11.121 -2.551 -5.547 1.00 1.21 O ATOM 0 H SER A 69 11.893 -2.781 -3.001 1.00 62.14 H new ATOM 0 HA SER A 69 11.888 0.071 -3.587 1.00 32.13 H new ATOM 0 HB2 SER A 69 10.403 -0.594 -5.584 1.00 64.24 H new ATOM 0 HB3 SER A 69 12.135 -0.748 -5.804 1.00 64.24 H new ATOM 0 HG SER A 69 10.166 -2.768 -5.591 1.00 1.21 H new ATOM 1030 N LEU A 70 9.515 0.021 -2.714 1.00 32.14 N ATOM 1031 CA LEU A 70 8.238 -0.086 -2.081 1.00 63.23 C ATOM 1032 C LEU A 70 7.214 -0.114 -3.195 1.00 20.13 C ATOM 1033 O LEU A 70 7.051 0.859 -3.921 1.00 4.33 O ATOM 1034 CB LEU A 70 8.002 1.107 -1.109 1.00 52.00 C ATOM 1035 CG LEU A 70 6.757 1.059 -0.160 1.00 64.30 C ATOM 1036 CD1 LEU A 70 5.425 1.171 -0.907 1.00 14.33 C ATOM 1037 CD2 LEU A 70 6.782 -0.201 0.702 1.00 51.23 C ATOM 0 H LEU A 70 9.827 0.971 -2.916 1.00 32.14 H new ATOM 0 HA LEU A 70 8.166 -0.988 -1.473 1.00 63.23 H new ATOM 0 HB2 LEU A 70 8.891 1.209 -0.486 1.00 52.00 H new ATOM 0 HB3 LEU A 70 7.928 2.014 -1.709 1.00 52.00 H new ATOM 0 HG LEU A 70 6.828 1.936 0.483 1.00 64.30 H new ATOM 0 HD11 LEU A 70 4.603 1.131 -0.193 1.00 14.33 H new ATOM 0 HD12 LEU A 70 5.390 2.116 -1.448 1.00 14.33 H new ATOM 0 HD13 LEU A 70 5.333 0.345 -1.613 1.00 14.33 H new ATOM 0 HD21 LEU A 70 5.908 -0.214 1.353 1.00 51.23 H new ATOM 0 HD22 LEU A 70 6.769 -1.082 0.060 1.00 51.23 H new ATOM 0 HD23 LEU A 70 7.687 -0.209 1.309 1.00 51.23 H new ATOM 1049 N GLN A 71 6.579 -1.239 -3.352 1.00 13.32 N ATOM 1050 CA GLN A 71 5.562 -1.421 -4.355 1.00 40.00 C ATOM 1051 C GLN A 71 4.292 -1.866 -3.687 1.00 50.34 C ATOM 1052 O GLN A 71 4.269 -2.899 -3.005 1.00 65.53 O ATOM 1053 CB GLN A 71 5.985 -2.475 -5.386 1.00 65.13 C ATOM 1054 CG GLN A 71 4.898 -2.840 -6.398 1.00 72.02 C ATOM 1055 CD GLN A 71 5.342 -3.909 -7.370 1.00 53.00 C ATOM 1056 OE1 GLN A 71 5.210 -5.098 -7.105 1.00 15.43 O ATOM 1057 NE2 GLN A 71 5.835 -3.503 -8.509 1.00 2.40 N ATOM 0 H GLN A 71 6.752 -2.067 -2.782 1.00 13.32 H new ATOM 0 HA GLN A 71 5.411 -0.474 -4.873 1.00 40.00 H new ATOM 0 HB2 GLN A 71 6.858 -2.108 -5.925 1.00 65.13 H new ATOM 0 HB3 GLN A 71 6.292 -3.378 -4.859 1.00 65.13 H new ATOM 0 HG2 GLN A 71 4.012 -3.185 -5.865 1.00 72.02 H new ATOM 0 HG3 GLN A 71 4.609 -1.947 -6.953 1.00 72.02 H new ATOM 0 HE21 GLN A 71 5.931 -2.505 -8.696 1.00 2.40 H new ATOM 0 HE22 GLN A 71 6.124 -4.184 -9.211 1.00 2.40 H new ATOM 1066 N VAL A 72 3.272 -1.082 -3.838 1.00 5.51 N ATOM 1067 CA VAL A 72 1.970 -1.437 -3.356 1.00 24.32 C ATOM 1068 C VAL A 72 1.082 -1.636 -4.569 1.00 2.31 C ATOM 1069 O VAL A 72 0.953 -0.727 -5.399 1.00 5.03 O ATOM 1070 CB VAL A 72 1.367 -0.325 -2.441 1.00 64.40 C ATOM 1071 CG1 VAL A 72 -0.059 -0.659 -2.025 1.00 53.42 C ATOM 1072 CG2 VAL A 72 2.217 -0.121 -1.205 1.00 20.54 C ATOM 0 H VAL A 72 3.316 -0.174 -4.300 1.00 5.51 H new ATOM 0 HA VAL A 72 2.039 -2.343 -2.754 1.00 24.32 H new ATOM 0 HB VAL A 72 1.354 0.596 -3.023 1.00 64.40 H new ATOM 0 HG11 VAL A 72 -0.448 0.136 -1.389 1.00 53.42 H new ATOM 0 HG12 VAL A 72 -0.685 -0.752 -2.913 1.00 53.42 H new ATOM 0 HG13 VAL A 72 -0.067 -1.600 -1.475 1.00 53.42 H new ATOM 0 HG21 VAL A 72 1.775 0.659 -0.584 1.00 20.54 H new ATOM 0 HG22 VAL A 72 2.265 -1.051 -0.639 1.00 20.54 H new ATOM 0 HG23 VAL A 72 3.223 0.177 -1.500 1.00 20.54 H new ATOM 1082 N ALA A 73 0.500 -2.805 -4.680 1.00 1.53 N ATOM 1083 CA ALA A 73 -0.384 -3.119 -5.770 1.00 75.33 C ATOM 1084 C ALA A 73 -1.779 -3.298 -5.226 1.00 32.11 C ATOM 1085 O ALA A 73 -1.969 -3.958 -4.195 1.00 42.31 O ATOM 1086 CB ALA A 73 0.081 -4.378 -6.489 1.00 53.52 C ATOM 0 H ALA A 73 0.628 -3.566 -4.013 1.00 1.53 H new ATOM 0 HA ALA A 73 -0.378 -2.304 -6.494 1.00 75.33 H new ATOM 0 HB1 ALA A 73 -0.600 -4.600 -7.311 1.00 53.52 H new ATOM 0 HB2 ALA A 73 1.086 -4.222 -6.882 1.00 53.52 H new ATOM 0 HB3 ALA A 73 0.091 -5.214 -5.790 1.00 53.52 H new ATOM 1092 N MET A 74 -2.734 -2.705 -5.876 1.00 73.21 N ATOM 1093 CA MET A 74 -4.110 -2.747 -5.431 1.00 55.12 C ATOM 1094 C MET A 74 -4.963 -3.329 -6.505 1.00 3.12 C ATOM 1095 O MET A 74 -4.721 -3.083 -7.670 1.00 35.14 O ATOM 1096 CB MET A 74 -4.630 -1.341 -5.162 1.00 51.31 C ATOM 1097 CG MET A 74 -3.777 -0.536 -4.236 1.00 53.44 C ATOM 1098 SD MET A 74 -4.442 1.092 -3.921 1.00 53.22 S ATOM 1099 CE MET A 74 -3.144 1.714 -2.894 1.00 71.24 C ATOM 0 H MET A 74 -2.589 -2.174 -6.735 1.00 73.21 H new ATOM 0 HA MET A 74 -4.150 -3.347 -4.522 1.00 55.12 H new ATOM 0 HB2 MET A 74 -4.717 -0.811 -6.110 1.00 51.31 H new ATOM 0 HB3 MET A 74 -5.634 -1.412 -4.743 1.00 51.31 H new ATOM 0 HG2 MET A 74 -3.671 -1.069 -3.291 1.00 53.44 H new ATOM 0 HG3 MET A 74 -2.778 -0.439 -4.661 1.00 53.44 H new ATOM 0 HE1 MET A 74 -3.569 2.338 -2.108 1.00 71.24 H new ATOM 0 HE2 MET A 74 -2.605 0.880 -2.443 1.00 71.24 H new ATOM 0 HE3 MET A 74 -2.456 2.307 -3.496 1.00 71.24 H new ATOM 1109 N LYS A 75 -5.932 -4.107 -6.126 1.00 73.24 N ATOM 1110 CA LYS A 75 -6.884 -4.595 -7.040 1.00 21.13 C ATOM 1111 C LYS A 75 -8.270 -4.259 -6.530 1.00 0.02 C ATOM 1112 O LYS A 75 -8.579 -4.499 -5.358 1.00 74.12 O ATOM 1113 CB LYS A 75 -6.775 -6.094 -7.210 1.00 10.52 C ATOM 1114 CG LYS A 75 -7.781 -6.595 -8.201 1.00 12.52 C ATOM 1115 CD LYS A 75 -7.885 -8.077 -8.227 1.00 62.53 C ATOM 1116 CE LYS A 75 -8.943 -8.468 -9.215 1.00 54.55 C ATOM 1117 NZ LYS A 75 -10.295 -7.936 -8.847 1.00 14.54 N ATOM 0 H LYS A 75 -6.073 -4.415 -5.164 1.00 73.24 H new ATOM 0 HA LYS A 75 -6.700 -4.127 -8.007 1.00 21.13 H new ATOM 0 HB2 LYS A 75 -5.770 -6.354 -7.543 1.00 10.52 H new ATOM 0 HB3 LYS A 75 -6.930 -6.585 -6.249 1.00 10.52 H new ATOM 0 HG2 LYS A 75 -8.757 -6.172 -7.964 1.00 12.52 H new ATOM 0 HG3 LYS A 75 -7.512 -6.238 -9.195 1.00 12.52 H new ATOM 0 HD2 LYS A 75 -6.928 -8.518 -8.504 1.00 62.53 H new ATOM 0 HD3 LYS A 75 -8.135 -8.456 -7.236 1.00 62.53 H new ATOM 0 HE2 LYS A 75 -8.667 -8.099 -10.203 1.00 54.55 H new ATOM 0 HE3 LYS A 75 -8.989 -9.555 -9.282 1.00 54.55 H new ATOM 0 HZ1 LYS A 75 -11.023 -8.418 -9.412 1.00 14.54 H new ATOM 0 HZ2 LYS A 75 -10.472 -8.106 -7.836 1.00 14.54 H new ATOM 0 HZ3 LYS A 75 -10.329 -6.914 -9.037 1.00 14.54 H new ATOM 1131 N LYS A 76 -9.082 -3.744 -7.401 1.00 31.12 N ATOM 1132 CA LYS A 76 -10.442 -3.394 -7.104 1.00 32.32 C ATOM 1133 C LYS A 76 -11.331 -4.634 -7.177 1.00 65.03 C ATOM 1134 O LYS A 76 -11.254 -5.428 -8.148 1.00 75.52 O ATOM 1135 CB LYS A 76 -10.931 -2.355 -8.102 1.00 33.23 C ATOM 1136 CG LYS A 76 -12.321 -1.793 -7.818 1.00 22.11 C ATOM 1137 CD LYS A 76 -12.724 -0.786 -8.881 1.00 72.11 C ATOM 1138 CE LYS A 76 -12.971 -1.462 -10.212 1.00 54.04 C ATOM 1139 NZ LYS A 76 -13.177 -0.480 -11.298 1.00 61.23 N ATOM 0 H LYS A 76 -8.812 -3.549 -8.365 1.00 31.12 H new ATOM 0 HA LYS A 76 -10.491 -2.982 -6.096 1.00 32.32 H new ATOM 0 HB2 LYS A 76 -10.219 -1.530 -8.123 1.00 33.23 H new ATOM 0 HB3 LYS A 76 -10.932 -2.801 -9.097 1.00 33.23 H new ATOM 0 HG2 LYS A 76 -13.047 -2.605 -7.787 1.00 22.11 H new ATOM 0 HG3 LYS A 76 -12.332 -1.317 -6.837 1.00 22.11 H new ATOM 0 HD2 LYS A 76 -13.625 -0.261 -8.565 1.00 72.11 H new ATOM 0 HD3 LYS A 76 -11.940 -0.037 -8.991 1.00 72.11 H new ATOM 0 HE2 LYS A 76 -12.124 -2.102 -10.457 1.00 54.04 H new ATOM 0 HE3 LYS A 76 -13.846 -2.107 -10.135 1.00 54.04 H new ATOM 0 HZ1 LYS A 76 -13.650 -0.943 -12.100 1.00 61.23 H new ATOM 0 HZ2 LYS A 76 -13.769 0.302 -10.951 1.00 61.23 H new ATOM 0 HZ3 LYS A 76 -12.257 -0.107 -11.608 1.00 61.23 H new ATOM 1153 N LEU A 77 -12.078 -4.850 -6.147 1.00 25.04 N ATOM 1154 CA LEU A 77 -13.050 -5.916 -6.102 1.00 12.14 C ATOM 1155 C LEU A 77 -14.417 -5.345 -6.482 1.00 20.04 C ATOM 1156 O LEU A 77 -14.706 -4.189 -6.182 1.00 3.32 O ATOM 1157 CB LEU A 77 -13.098 -6.617 -4.717 1.00 51.11 C ATOM 1158 CG LEU A 77 -11.958 -7.611 -4.378 1.00 60.10 C ATOM 1159 CD1 LEU A 77 -10.606 -6.930 -4.259 1.00 65.33 C ATOM 1160 CD2 LEU A 77 -12.279 -8.380 -3.108 1.00 22.33 C ATOM 0 H LEU A 77 -12.038 -4.289 -5.296 1.00 25.04 H new ATOM 0 HA LEU A 77 -12.757 -6.686 -6.816 1.00 12.14 H new ATOM 0 HB2 LEU A 77 -13.109 -5.844 -3.949 1.00 51.11 H new ATOM 0 HB3 LEU A 77 -14.044 -7.153 -4.644 1.00 51.11 H new ATOM 0 HG LEU A 77 -11.890 -8.310 -5.212 1.00 60.10 H new ATOM 0 HD11 LEU A 77 -9.844 -7.672 -4.021 1.00 65.33 H new ATOM 0 HD12 LEU A 77 -10.358 -6.446 -5.204 1.00 65.33 H new ATOM 0 HD13 LEU A 77 -10.644 -6.182 -3.467 1.00 65.33 H new ATOM 0 HD21 LEU A 77 -11.467 -9.073 -2.887 1.00 22.33 H new ATOM 0 HD22 LEU A 77 -12.396 -7.681 -2.279 1.00 22.33 H new ATOM 0 HD23 LEU A 77 -13.205 -8.939 -3.245 1.00 22.33 H new ATOM 1172 N PRO A 78 -15.282 -6.140 -7.149 1.00 3.04 N ATOM 1173 CA PRO A 78 -16.586 -5.655 -7.663 1.00 3.44 C ATOM 1174 C PRO A 78 -17.610 -5.395 -6.554 1.00 61.12 C ATOM 1175 O PRO A 78 -18.703 -4.925 -6.807 1.00 13.02 O ATOM 1176 CB PRO A 78 -17.051 -6.797 -8.570 1.00 65.51 C ATOM 1177 CG PRO A 78 -16.405 -8.018 -8.012 1.00 31.14 C ATOM 1178 CD PRO A 78 -15.083 -7.578 -7.437 1.00 73.12 C ATOM 0 HA PRO A 78 -16.487 -4.696 -8.171 1.00 3.44 H new ATOM 0 HB2 PRO A 78 -18.137 -6.888 -8.565 1.00 65.51 H new ATOM 0 HB3 PRO A 78 -16.750 -6.628 -9.604 1.00 65.51 H new ATOM 0 HG2 PRO A 78 -17.031 -8.471 -7.243 1.00 31.14 H new ATOM 0 HG3 PRO A 78 -16.260 -8.769 -8.788 1.00 31.14 H new ATOM 0 HD2 PRO A 78 -14.834 -8.136 -6.534 1.00 73.12 H new ATOM 0 HD3 PRO A 78 -14.268 -7.735 -8.143 1.00 73.12 H new ATOM 1186 N ASN A 79 -17.228 -5.701 -5.343 1.00 73.43 N ATOM 1187 CA ASN A 79 -18.076 -5.510 -4.181 1.00 42.43 C ATOM 1188 C ASN A 79 -17.569 -4.323 -3.367 1.00 24.03 C ATOM 1189 O ASN A 79 -17.815 -4.228 -2.166 1.00 74.34 O ATOM 1190 CB ASN A 79 -18.100 -6.797 -3.335 1.00 35.40 C ATOM 1191 CG ASN A 79 -16.740 -7.188 -2.782 1.00 70.13 C ATOM 1192 OD1 ASN A 79 -15.956 -7.856 -3.452 1.00 41.20 O ATOM 1193 ND2 ASN A 79 -16.455 -6.788 -1.572 1.00 32.11 N ATOM 0 H ASN A 79 -16.312 -6.094 -5.126 1.00 73.43 H new ATOM 0 HA ASN A 79 -19.096 -5.296 -4.500 1.00 42.43 H new ATOM 0 HB2 ASN A 79 -18.795 -6.664 -2.506 1.00 35.40 H new ATOM 0 HB3 ASN A 79 -18.484 -7.615 -3.944 1.00 35.40 H new ATOM 0 HD21 ASN A 79 -15.557 -7.029 -1.154 1.00 32.11 H new ATOM 0 HD22 ASN A 79 -17.131 -6.235 -1.045 1.00 32.11 H new ATOM 1200 N ASN A 80 -16.858 -3.421 -4.061 1.00 21.23 N ATOM 1201 CA ASN A 80 -16.313 -2.161 -3.500 1.00 34.14 C ATOM 1202 C ASN A 80 -15.214 -2.387 -2.475 1.00 15.01 C ATOM 1203 O ASN A 80 -14.902 -1.507 -1.689 1.00 54.13 O ATOM 1204 CB ASN A 80 -17.423 -1.253 -2.917 1.00 34.21 C ATOM 1205 CG ASN A 80 -18.372 -0.710 -3.972 1.00 54.44 C ATOM 1206 OD1 ASN A 80 -19.383 -1.315 -4.293 1.00 13.11 O ATOM 1207 ND2 ASN A 80 -18.054 0.444 -4.517 1.00 53.25 N ATOM 0 H ASN A 80 -16.638 -3.544 -5.049 1.00 21.23 H new ATOM 0 HA ASN A 80 -15.859 -1.644 -4.345 1.00 34.14 H new ATOM 0 HB2 ASN A 80 -17.995 -1.817 -2.180 1.00 34.21 H new ATOM 0 HB3 ASN A 80 -16.960 -0.418 -2.390 1.00 34.21 H new ATOM 0 HD21 ASN A 80 -18.659 0.856 -5.228 1.00 53.25 H new ATOM 0 HD22 ASN A 80 -17.203 0.927 -4.229 1.00 53.25 H new ATOM 1214 N ALA A 81 -14.589 -3.535 -2.543 1.00 33.23 N ATOM 1215 CA ALA A 81 -13.479 -3.866 -1.673 1.00 1.15 C ATOM 1216 C ALA A 81 -12.191 -3.750 -2.462 1.00 12.43 C ATOM 1217 O ALA A 81 -12.222 -3.733 -3.692 1.00 33.43 O ATOM 1218 CB ALA A 81 -13.631 -5.265 -1.108 1.00 31.03 C ATOM 0 H ALA A 81 -14.833 -4.272 -3.204 1.00 33.23 H new ATOM 0 HA ALA A 81 -13.461 -3.173 -0.832 1.00 1.15 H new ATOM 0 HB1 ALA A 81 -12.785 -5.489 -0.458 1.00 31.03 H new ATOM 0 HB2 ALA A 81 -14.556 -5.327 -0.534 1.00 31.03 H new ATOM 0 HB3 ALA A 81 -13.662 -5.986 -1.925 1.00 31.03 H new ATOM 1224 N THR A 82 -11.082 -3.657 -1.790 1.00 43.31 N ATOM 1225 CA THR A 82 -9.817 -3.512 -2.457 1.00 34.30 C ATOM 1226 C THR A 82 -8.765 -4.409 -1.803 1.00 70.14 C ATOM 1227 O THR A 82 -8.693 -4.502 -0.584 1.00 12.41 O ATOM 1228 CB THR A 82 -9.355 -2.046 -2.379 1.00 31.22 C ATOM 1229 OG1 THR A 82 -10.420 -1.203 -2.808 1.00 3.32 O ATOM 1230 CG2 THR A 82 -8.146 -1.798 -3.268 1.00 3.21 C ATOM 0 H THR A 82 -11.025 -3.679 -0.772 1.00 43.31 H new ATOM 0 HA THR A 82 -9.937 -3.805 -3.500 1.00 34.30 H new ATOM 0 HB THR A 82 -9.076 -1.828 -1.348 1.00 31.22 H new ATOM 0 HG1 THR A 82 -11.080 -1.118 -2.088 1.00 3.32 H new ATOM 0 HG21 THR A 82 -7.845 -0.753 -3.190 1.00 3.21 H new ATOM 0 HG22 THR A 82 -7.323 -2.438 -2.949 1.00 3.21 H new ATOM 0 HG23 THR A 82 -8.403 -2.025 -4.303 1.00 3.21 H new ATOM 1238 N ARG A 83 -7.989 -5.089 -2.605 1.00 43.21 N ATOM 1239 CA ARG A 83 -6.895 -5.890 -2.101 1.00 50.22 C ATOM 1240 C ARG A 83 -5.576 -5.211 -2.353 1.00 51.51 C ATOM 1241 O ARG A 83 -5.319 -4.740 -3.452 1.00 44.55 O ATOM 1242 CB ARG A 83 -6.866 -7.347 -2.628 1.00 42.52 C ATOM 1243 CG ARG A 83 -5.517 -8.035 -2.335 1.00 13.11 C ATOM 1244 CD ARG A 83 -5.479 -9.502 -2.665 1.00 3.14 C ATOM 1245 NE ARG A 83 -4.073 -9.987 -2.745 1.00 41.02 N ATOM 1246 CZ ARG A 83 -3.683 -11.267 -2.812 1.00 30.22 C ATOM 1247 NH1 ARG A 83 -4.582 -12.252 -2.704 1.00 13.32 N ATOM 1248 NH2 ARG A 83 -2.384 -11.562 -2.975 1.00 50.55 N ATOM 0 H ARG A 83 -8.093 -5.106 -3.620 1.00 43.21 H new ATOM 0 HA ARG A 83 -7.069 -5.971 -1.028 1.00 50.22 H new ATOM 0 HB2 ARG A 83 -7.672 -7.917 -2.166 1.00 42.52 H new ATOM 0 HB3 ARG A 83 -7.049 -7.349 -3.703 1.00 42.52 H new ATOM 0 HG2 ARG A 83 -4.735 -7.528 -2.900 1.00 13.11 H new ATOM 0 HG3 ARG A 83 -5.280 -7.907 -1.279 1.00 13.11 H new ATOM 0 HD2 ARG A 83 -6.021 -10.065 -1.905 1.00 3.14 H new ATOM 0 HD3 ARG A 83 -5.985 -9.680 -3.614 1.00 3.14 H new ATOM 0 HE ARG A 83 -3.339 -9.279 -2.749 1.00 41.02 H new ATOM 0 HH11 ARG A 83 -5.568 -12.030 -2.570 1.00 13.32 H new ATOM 0 HH12 ARG A 83 -4.281 -13.225 -2.756 1.00 13.32 H new ATOM 0 HH21 ARG A 83 -1.696 -10.812 -3.048 1.00 50.55 H new ATOM 0 HH22 ARG A 83 -2.085 -12.536 -3.026 1.00 50.55 H new ATOM 1262 N ILE A 84 -4.763 -5.177 -1.339 1.00 65.31 N ATOM 1263 CA ILE A 84 -3.456 -4.613 -1.392 1.00 11.24 C ATOM 1264 C ILE A 84 -2.449 -5.731 -1.239 1.00 23.30 C ATOM 1265 O ILE A 84 -2.601 -6.631 -0.404 1.00 13.34 O ATOM 1266 CB ILE A 84 -3.255 -3.514 -0.272 1.00 44.44 C ATOM 1267 CG1 ILE A 84 -3.645 -2.135 -0.784 1.00 50.01 C ATOM 1268 CG2 ILE A 84 -1.847 -3.485 0.314 1.00 55.35 C ATOM 1269 CD1 ILE A 84 -5.104 -1.975 -1.126 1.00 42.43 C ATOM 0 H ILE A 84 -5.004 -5.555 -0.423 1.00 65.31 H new ATOM 0 HA ILE A 84 -3.315 -4.114 -2.351 1.00 11.24 H new ATOM 0 HB ILE A 84 -3.921 -3.798 0.543 1.00 44.44 H new ATOM 0 HG12 ILE A 84 -3.380 -1.395 -0.029 1.00 50.01 H new ATOM 0 HG13 ILE A 84 -3.052 -1.912 -1.671 1.00 50.01 H new ATOM 0 HG21 ILE A 84 -1.786 -2.707 1.075 1.00 55.35 H new ATOM 0 HG22 ILE A 84 -1.620 -4.451 0.764 1.00 55.35 H new ATOM 0 HG23 ILE A 84 -1.128 -3.276 -0.478 1.00 55.35 H new ATOM 0 HD11 ILE A 84 -5.285 -0.961 -1.481 1.00 42.43 H new ATOM 0 HD12 ILE A 84 -5.375 -2.687 -1.906 1.00 42.43 H new ATOM 0 HD13 ILE A 84 -5.708 -2.162 -0.238 1.00 42.43 H new ATOM 1281 N SER A 85 -1.493 -5.711 -2.101 1.00 50.20 N ATOM 1282 CA SER A 85 -0.425 -6.658 -2.103 1.00 2.03 C ATOM 1283 C SER A 85 0.883 -5.886 -2.104 1.00 5.41 C ATOM 1284 O SER A 85 1.039 -4.933 -2.883 1.00 21.41 O ATOM 1285 CB SER A 85 -0.560 -7.548 -3.333 1.00 30.24 C ATOM 1286 OG SER A 85 -1.891 -8.086 -3.391 1.00 14.32 O ATOM 0 H SER A 85 -1.428 -5.018 -2.846 1.00 50.20 H new ATOM 0 HA SER A 85 -0.452 -7.300 -1.223 1.00 2.03 H new ATOM 0 HB2 SER A 85 -0.349 -6.974 -4.235 1.00 30.24 H new ATOM 0 HB3 SER A 85 0.169 -8.357 -3.292 1.00 30.24 H new ATOM 0 HG SER A 85 -1.979 -8.657 -4.183 1.00 14.32 H new ATOM 1292 N ILE A 86 1.781 -6.242 -1.224 1.00 2.44 N ATOM 1293 CA ILE A 86 3.045 -5.540 -1.090 1.00 71.45 C ATOM 1294 C ILE A 86 4.198 -6.531 -1.168 1.00 42.14 C ATOM 1295 O ILE A 86 4.076 -7.683 -0.718 1.00 54.24 O ATOM 1296 CB ILE A 86 3.095 -4.678 0.225 1.00 4.25 C ATOM 1297 CG1 ILE A 86 1.963 -3.634 0.180 1.00 51.41 C ATOM 1298 CG2 ILE A 86 4.465 -3.989 0.411 1.00 13.23 C ATOM 1299 CD1 ILE A 86 1.832 -2.756 1.403 1.00 43.11 C ATOM 0 H ILE A 86 1.665 -7.023 -0.578 1.00 2.44 H new ATOM 0 HA ILE A 86 3.142 -4.838 -1.918 1.00 71.45 H new ATOM 0 HB ILE A 86 2.957 -5.339 1.080 1.00 4.25 H new ATOM 0 HG12 ILE A 86 2.118 -2.994 -0.689 1.00 51.41 H new ATOM 0 HG13 ILE A 86 1.018 -4.156 0.027 1.00 51.41 H new ATOM 0 HG21 ILE A 86 4.456 -3.404 1.331 1.00 13.23 H new ATOM 0 HG22 ILE A 86 5.248 -4.745 0.469 1.00 13.23 H new ATOM 0 HG23 ILE A 86 4.659 -3.331 -0.436 1.00 13.23 H new ATOM 0 HD11 ILE A 86 1.005 -2.059 1.264 1.00 43.11 H new ATOM 0 HD12 ILE A 86 1.640 -3.377 2.278 1.00 43.11 H new ATOM 0 HD13 ILE A 86 2.756 -2.198 1.551 1.00 43.11 H new ATOM 1311 N LYS A 87 5.300 -6.078 -1.714 1.00 22.13 N ATOM 1312 CA LYS A 87 6.456 -6.892 -1.954 1.00 1.52 C ATOM 1313 C LYS A 87 7.596 -6.485 -1.049 1.00 14.13 C ATOM 1314 O LYS A 87 7.814 -5.305 -0.778 1.00 70.55 O ATOM 1315 CB LYS A 87 6.858 -6.917 -3.466 1.00 22.13 C ATOM 1316 CG LYS A 87 7.051 -5.565 -4.162 1.00 43.23 C ATOM 1317 CD LYS A 87 8.293 -4.777 -3.715 1.00 34.04 C ATOM 1318 CE LYS A 87 9.596 -5.533 -3.958 1.00 64.43 C ATOM 1319 NZ LYS A 87 10.779 -4.725 -3.585 1.00 4.23 N ATOM 0 H LYS A 87 5.416 -5.109 -2.009 1.00 22.13 H new ATOM 0 HA LYS A 87 6.199 -7.921 -1.703 1.00 1.52 H new ATOM 0 HB2 LYS A 87 7.786 -7.481 -3.559 1.00 22.13 H new ATOM 0 HB3 LYS A 87 6.093 -7.471 -4.010 1.00 22.13 H new ATOM 0 HG2 LYS A 87 7.113 -5.732 -5.237 1.00 43.23 H new ATOM 0 HG3 LYS A 87 6.167 -4.952 -3.985 1.00 43.23 H new ATOM 0 HD2 LYS A 87 8.325 -3.827 -4.248 1.00 34.04 H new ATOM 0 HD3 LYS A 87 8.207 -4.544 -2.654 1.00 34.04 H new ATOM 0 HE2 LYS A 87 9.592 -6.458 -3.382 1.00 64.43 H new ATOM 0 HE3 LYS A 87 9.663 -5.812 -5.009 1.00 64.43 H new ATOM 0 HZ1 LYS A 87 11.644 -5.273 -3.765 1.00 4.23 H new ATOM 0 HZ2 LYS A 87 10.797 -3.854 -4.152 1.00 4.23 H new ATOM 0 HZ3 LYS A 87 10.728 -4.480 -2.576 1.00 4.23 H new ATOM 1333 N TYR A 88 8.249 -7.462 -0.528 1.00 45.22 N ATOM 1334 CA TYR A 88 9.303 -7.272 0.421 1.00 72.45 C ATOM 1335 C TYR A 88 10.647 -7.258 -0.268 1.00 1.45 C ATOM 1336 O TYR A 88 10.790 -7.751 -1.396 1.00 42.33 O ATOM 1337 CB TYR A 88 9.284 -8.422 1.446 1.00 14.32 C ATOM 1338 CG TYR A 88 9.565 -9.812 0.853 1.00 34.12 C ATOM 1339 CD1 TYR A 88 8.617 -10.472 0.069 1.00 33.22 C ATOM 1340 CD2 TYR A 88 10.781 -10.449 1.074 1.00 60.23 C ATOM 1341 CE1 TYR A 88 8.872 -11.712 -0.471 1.00 73.42 C ATOM 1342 CE2 TYR A 88 11.043 -11.694 0.532 1.00 62.34 C ATOM 1343 CZ TYR A 88 10.083 -12.320 -0.238 1.00 64.50 C ATOM 1344 OH TYR A 88 10.339 -13.555 -0.779 1.00 43.44 O ATOM 0 H TYR A 88 8.066 -8.440 -0.751 1.00 45.22 H new ATOM 0 HA TYR A 88 9.148 -6.316 0.920 1.00 72.45 H new ATOM 0 HB2 TYR A 88 10.024 -8.215 2.219 1.00 14.32 H new ATOM 0 HB3 TYR A 88 8.310 -8.440 1.934 1.00 14.32 H new ATOM 0 HD1 TYR A 88 7.664 -10.000 -0.118 1.00 33.22 H new ATOM 0 HD2 TYR A 88 11.533 -9.964 1.679 1.00 60.23 H new ATOM 0 HE1 TYR A 88 8.125 -12.205 -1.075 1.00 73.42 H new ATOM 0 HE2 TYR A 88 11.994 -12.174 0.710 1.00 62.34 H new ATOM 0 HH TYR A 88 11.239 -13.845 -0.521 1.00 43.44 H new ATOM 1354 N GLY A 89 11.582 -6.636 0.376 1.00 51.43 N ATOM 1355 CA GLY A 89 12.933 -6.670 -0.042 1.00 23.15 C ATOM 1356 C GLY A 89 13.754 -7.342 1.019 1.00 71.43 C ATOM 1357 O GLY A 89 13.265 -8.260 1.686 1.00 30.02 O ATOM 0 H GLY A 89 11.419 -6.084 1.218 1.00 51.43 H new ATOM 0 HA2 GLY A 89 13.022 -7.209 -0.985 1.00 23.15 H new ATOM 0 HA3 GLY A 89 13.299 -5.658 -0.217 1.00 23.15 H new ATOM 1361 N SER A 90 14.942 -6.850 1.236 1.00 13.24 N ATOM 1362 CA SER A 90 15.887 -7.427 2.173 1.00 22.02 C ATOM 1363 C SER A 90 15.373 -7.381 3.630 1.00 5.52 C ATOM 1364 O SER A 90 15.735 -8.213 4.453 1.00 32.45 O ATOM 1365 CB SER A 90 17.162 -6.600 2.094 1.00 75.42 C ATOM 1366 OG SER A 90 17.290 -6.007 0.804 1.00 43.41 O ATOM 0 H SER A 90 15.295 -6.020 0.760 1.00 13.24 H new ATOM 0 HA SER A 90 16.044 -8.473 1.909 1.00 22.02 H new ATOM 0 HB2 SER A 90 17.147 -5.823 2.859 1.00 75.42 H new ATOM 0 HB3 SER A 90 18.026 -7.232 2.298 1.00 75.42 H new ATOM 0 HG SER A 90 17.212 -5.033 0.882 1.00 43.41 H new ATOM 1372 N GLN A 91 14.518 -6.418 3.924 1.00 73.11 N ATOM 1373 CA GLN A 91 14.135 -6.148 5.299 1.00 54.20 C ATOM 1374 C GLN A 91 12.746 -6.670 5.690 1.00 42.42 C ATOM 1375 O GLN A 91 12.305 -6.429 6.806 1.00 25.03 O ATOM 1376 CB GLN A 91 14.235 -4.648 5.558 1.00 4.13 C ATOM 1377 CG GLN A 91 15.630 -4.090 5.306 1.00 31.21 C ATOM 1378 CD GLN A 91 15.713 -2.597 5.495 1.00 11.52 C ATOM 1379 OE1 GLN A 91 14.745 -1.872 5.281 1.00 34.23 O ATOM 1380 NE2 GLN A 91 16.870 -2.118 5.866 1.00 52.54 N ATOM 0 H GLN A 91 14.077 -5.812 3.232 1.00 73.11 H new ATOM 0 HA GLN A 91 14.831 -6.701 5.930 1.00 54.20 H new ATOM 0 HB2 GLN A 91 13.521 -4.127 4.920 1.00 4.13 H new ATOM 0 HB3 GLN A 91 13.949 -4.444 6.590 1.00 4.13 H new ATOM 0 HG2 GLN A 91 16.336 -4.575 5.980 1.00 31.21 H new ATOM 0 HG3 GLN A 91 15.936 -4.339 4.290 1.00 31.21 H new ATOM 0 HE21 GLN A 91 17.653 -2.750 6.035 1.00 52.54 H new ATOM 0 HE22 GLN A 91 16.991 -1.112 5.987 1.00 52.54 H new ATOM 1389 N GLY A 92 12.073 -7.395 4.796 1.00 44.52 N ATOM 1390 CA GLY A 92 10.724 -7.880 5.122 1.00 63.43 C ATOM 1391 C GLY A 92 9.756 -6.715 5.303 1.00 11.31 C ATOM 1392 O GLY A 92 9.326 -6.393 6.420 1.00 45.23 O ATOM 0 H GLY A 92 12.420 -7.654 3.872 1.00 44.52 H new ATOM 0 HA2 GLY A 92 10.367 -8.535 4.327 1.00 63.43 H new ATOM 0 HA3 GLY A 92 10.758 -8.475 6.035 1.00 63.43 H new ATOM 1396 N ASN A 93 9.377 -6.124 4.192 1.00 51.04 N ATOM 1397 CA ASN A 93 8.611 -4.877 4.147 1.00 22.00 C ATOM 1398 C ASN A 93 7.204 -5.024 4.719 1.00 44.32 C ATOM 1399 O ASN A 93 6.521 -4.026 4.955 1.00 72.53 O ATOM 1400 CB ASN A 93 8.560 -4.306 2.704 1.00 53.14 C ATOM 1401 CG ASN A 93 9.951 -4.101 2.071 1.00 62.41 C ATOM 1402 OD1 ASN A 93 10.899 -4.845 2.358 1.00 71.22 O ATOM 1403 ND2 ASN A 93 10.079 -3.139 1.205 1.00 10.23 N ATOM 0 H ASN A 93 9.593 -6.498 3.268 1.00 51.04 H new ATOM 0 HA ASN A 93 9.138 -4.169 4.786 1.00 22.00 H new ATOM 0 HB2 ASN A 93 7.980 -4.982 2.075 1.00 53.14 H new ATOM 0 HB3 ASN A 93 8.032 -3.352 2.718 1.00 53.14 H new ATOM 0 HD21 ASN A 93 10.976 -2.983 0.745 1.00 10.23 H new ATOM 0 HD22 ASN A 93 9.283 -2.540 0.986 1.00 10.23 H new ATOM 1410 N SER A 94 6.793 -6.255 4.978 1.00 21.25 N ATOM 1411 CA SER A 94 5.488 -6.580 5.520 1.00 25.20 C ATOM 1412 C SER A 94 5.213 -5.869 6.861 1.00 34.10 C ATOM 1413 O SER A 94 4.075 -5.482 7.149 1.00 51.31 O ATOM 1414 CB SER A 94 5.393 -8.096 5.665 1.00 10.31 C ATOM 1415 OG SER A 94 6.594 -8.611 6.238 1.00 73.51 O ATOM 0 H SER A 94 7.375 -7.076 4.812 1.00 21.25 H new ATOM 0 HA SER A 94 4.721 -6.221 4.833 1.00 25.20 H new ATOM 0 HB2 SER A 94 4.541 -8.356 6.293 1.00 10.31 H new ATOM 0 HB3 SER A 94 5.222 -8.552 4.690 1.00 10.31 H new ATOM 0 HG SER A 94 6.465 -9.553 6.476 1.00 73.51 H new ATOM 1421 N ILE A 95 6.251 -5.672 7.660 1.00 0.03 N ATOM 1422 CA ILE A 95 6.099 -4.991 8.939 1.00 72.15 C ATOM 1423 C ILE A 95 5.762 -3.516 8.723 1.00 20.55 C ATOM 1424 O ILE A 95 4.843 -2.975 9.339 1.00 63.22 O ATOM 1425 CB ILE A 95 7.355 -5.141 9.819 1.00 43.54 C ATOM 1426 CG1 ILE A 95 7.633 -6.624 10.078 1.00 55.21 C ATOM 1427 CG2 ILE A 95 7.211 -4.380 11.142 1.00 53.11 C ATOM 1428 CD1 ILE A 95 6.441 -7.421 10.594 1.00 2.02 C ATOM 0 H ILE A 95 7.203 -5.972 7.448 1.00 0.03 H new ATOM 0 HA ILE A 95 5.272 -5.464 9.469 1.00 72.15 H new ATOM 0 HB ILE A 95 8.199 -4.706 9.284 1.00 43.54 H new ATOM 0 HG12 ILE A 95 7.983 -7.080 9.152 1.00 55.21 H new ATOM 0 HG13 ILE A 95 8.446 -6.705 10.800 1.00 55.21 H new ATOM 0 HG21 ILE A 95 8.116 -4.509 11.736 1.00 53.11 H new ATOM 0 HG22 ILE A 95 7.059 -3.320 10.937 1.00 53.11 H new ATOM 0 HG23 ILE A 95 6.356 -4.769 11.694 1.00 53.11 H new ATOM 0 HD11 ILE A 95 6.736 -8.459 10.747 1.00 2.02 H new ATOM 0 HD12 ILE A 95 6.102 -6.997 11.539 1.00 2.02 H new ATOM 0 HD13 ILE A 95 5.631 -7.378 9.865 1.00 2.02 H new ATOM 1440 N ARG A 96 6.474 -2.890 7.802 1.00 52.30 N ATOM 1441 CA ARG A 96 6.233 -1.501 7.448 1.00 11.14 C ATOM 1442 C ARG A 96 4.857 -1.362 6.803 1.00 41.22 C ATOM 1443 O ARG A 96 4.140 -0.385 7.028 1.00 21.44 O ATOM 1444 CB ARG A 96 7.327 -1.019 6.502 1.00 42.54 C ATOM 1445 CG ARG A 96 8.722 -1.034 7.121 1.00 72.50 C ATOM 1446 CD ARG A 96 8.825 -0.040 8.272 1.00 40.10 C ATOM 1447 NE ARG A 96 8.512 1.316 7.831 1.00 41.23 N ATOM 1448 CZ ARG A 96 7.756 2.211 8.485 1.00 44.40 C ATOM 1449 NH1 ARG A 96 7.406 2.011 9.769 1.00 45.05 N ATOM 1450 NH2 ARG A 96 7.391 3.322 7.862 1.00 3.01 N ATOM 0 H ARG A 96 7.233 -3.328 7.280 1.00 52.30 H new ATOM 0 HA ARG A 96 6.254 -0.885 8.347 1.00 11.14 H new ATOM 0 HB2 ARG A 96 7.327 -1.647 5.611 1.00 42.54 H new ATOM 0 HB3 ARG A 96 7.094 -0.005 6.177 1.00 42.54 H new ATOM 0 HG2 ARG A 96 8.952 -2.037 7.481 1.00 72.50 H new ATOM 0 HG3 ARG A 96 9.463 -0.791 6.360 1.00 72.50 H new ATOM 0 HD2 ARG A 96 8.142 -0.332 9.070 1.00 40.10 H new ATOM 0 HD3 ARG A 96 9.832 -0.066 8.689 1.00 40.10 H new ATOM 0 HE ARG A 96 8.907 1.612 6.938 1.00 41.23 H new ATOM 0 HH11 ARG A 96 7.716 1.171 10.257 1.00 45.05 H new ATOM 0 HH12 ARG A 96 6.831 2.700 10.254 1.00 45.05 H new ATOM 0 HH21 ARG A 96 7.685 3.487 6.899 1.00 3.01 H new ATOM 0 HH22 ARG A 96 6.816 4.012 8.345 1.00 3.01 H new ATOM 1464 N SER A 97 4.489 -2.380 6.048 1.00 5.31 N ATOM 1465 CA SER A 97 3.205 -2.452 5.381 1.00 65.15 C ATOM 1466 C SER A 97 2.063 -2.454 6.396 1.00 61.45 C ATOM 1467 O SER A 97 1.047 -1.810 6.193 1.00 43.11 O ATOM 1468 CB SER A 97 3.156 -3.719 4.550 1.00 63.41 C ATOM 1469 OG SER A 97 4.221 -3.756 3.619 1.00 2.43 O ATOM 0 H SER A 97 5.083 -3.192 5.879 1.00 5.31 H new ATOM 0 HA SER A 97 3.087 -1.578 4.741 1.00 65.15 H new ATOM 0 HB2 SER A 97 3.209 -4.589 5.204 1.00 63.41 H new ATOM 0 HB3 SER A 97 2.204 -3.775 4.022 1.00 63.41 H new ATOM 0 HG SER A 97 5.045 -4.027 4.075 1.00 2.43 H new ATOM 1475 N SER A 98 2.269 -3.154 7.499 1.00 44.22 N ATOM 1476 CA SER A 98 1.277 -3.259 8.547 1.00 12.44 C ATOM 1477 C SER A 98 0.966 -1.881 9.158 1.00 12.41 C ATOM 1478 O SER A 98 -0.191 -1.554 9.431 1.00 55.15 O ATOM 1479 CB SER A 98 1.758 -4.265 9.598 1.00 64.12 C ATOM 1480 OG SER A 98 1.965 -5.540 8.992 1.00 21.22 O ATOM 0 H SER A 98 3.131 -3.665 7.690 1.00 44.22 H new ATOM 0 HA SER A 98 0.340 -3.625 8.126 1.00 12.44 H new ATOM 0 HB2 SER A 98 2.685 -3.914 10.052 1.00 64.12 H new ATOM 0 HB3 SER A 98 1.022 -4.348 10.398 1.00 64.12 H new ATOM 0 HG SER A 98 2.717 -5.486 8.366 1.00 21.22 H new ATOM 1486 N ALA A 99 1.999 -1.067 9.316 1.00 12.13 N ATOM 1487 CA ALA A 99 1.832 0.279 9.835 1.00 71.14 C ATOM 1488 C ALA A 99 1.118 1.154 8.806 1.00 34.24 C ATOM 1489 O ALA A 99 0.256 1.959 9.152 1.00 24.21 O ATOM 1490 CB ALA A 99 3.179 0.879 10.213 1.00 22.13 C ATOM 0 H ALA A 99 2.962 -1.317 9.092 1.00 12.13 H new ATOM 0 HA ALA A 99 1.219 0.233 10.735 1.00 71.14 H new ATOM 0 HB1 ALA A 99 3.032 1.888 10.600 1.00 22.13 H new ATOM 0 HB2 ALA A 99 3.650 0.262 10.978 1.00 22.13 H new ATOM 0 HB3 ALA A 99 3.820 0.918 9.332 1.00 22.13 H new ATOM 1496 N LEU A 100 1.478 0.962 7.541 1.00 35.41 N ATOM 1497 CA LEU A 100 0.906 1.691 6.430 1.00 55.32 C ATOM 1498 C LEU A 100 -0.594 1.433 6.347 1.00 13.15 C ATOM 1499 O LEU A 100 -1.379 2.361 6.217 1.00 51.43 O ATOM 1500 CB LEU A 100 1.571 1.235 5.137 1.00 24.05 C ATOM 1501 CG LEU A 100 1.304 2.079 3.892 1.00 2.34 C ATOM 1502 CD1 LEU A 100 1.861 3.484 4.068 1.00 64.42 C ATOM 1503 CD2 LEU A 100 1.899 1.413 2.668 1.00 44.43 C ATOM 0 H LEU A 100 2.187 0.284 7.262 1.00 35.41 H new ATOM 0 HA LEU A 100 1.073 2.758 6.578 1.00 55.32 H new ATOM 0 HB2 LEU A 100 2.648 1.203 5.302 1.00 24.05 H new ATOM 0 HB3 LEU A 100 1.250 0.214 4.931 1.00 24.05 H new ATOM 0 HG LEU A 100 0.226 2.158 3.750 1.00 2.34 H new ATOM 0 HD11 LEU A 100 1.661 4.070 3.171 1.00 64.42 H new ATOM 0 HD12 LEU A 100 1.385 3.959 4.925 1.00 64.42 H new ATOM 0 HD13 LEU A 100 2.937 3.431 4.234 1.00 64.42 H new ATOM 0 HD21 LEU A 100 1.701 2.025 1.788 1.00 44.43 H new ATOM 0 HD22 LEU A 100 2.976 1.304 2.800 1.00 44.43 H new ATOM 0 HD23 LEU A 100 1.449 0.429 2.534 1.00 44.43 H new ATOM 1515 N ILE A 101 -0.971 0.168 6.486 1.00 31.31 N ATOM 1516 CA ILE A 101 -2.382 -0.254 6.421 1.00 23.52 C ATOM 1517 C ILE A 101 -3.211 0.442 7.491 1.00 74.41 C ATOM 1518 O ILE A 101 -4.321 0.905 7.205 1.00 12.02 O ATOM 1519 CB ILE A 101 -2.534 -1.803 6.565 1.00 65.22 C ATOM 1520 CG1 ILE A 101 -1.893 -2.538 5.386 1.00 55.33 C ATOM 1521 CG2 ILE A 101 -3.996 -2.231 6.730 1.00 25.43 C ATOM 1522 CD1 ILE A 101 -2.493 -2.220 4.024 1.00 11.13 C ATOM 0 H ILE A 101 -0.317 -0.598 6.647 1.00 31.31 H new ATOM 0 HA ILE A 101 -2.751 0.036 5.437 1.00 23.52 H new ATOM 0 HB ILE A 101 -2.005 -2.082 7.476 1.00 65.22 H new ATOM 0 HG12 ILE A 101 -0.830 -2.298 5.363 1.00 55.33 H new ATOM 0 HG13 ILE A 101 -1.973 -3.611 5.560 1.00 55.33 H new ATOM 0 HG21 ILE A 101 -4.049 -3.315 6.826 1.00 25.43 H new ATOM 0 HG22 ILE A 101 -4.412 -1.767 7.624 1.00 25.43 H new ATOM 0 HG23 ILE A 101 -4.568 -1.916 5.857 1.00 25.43 H new ATOM 0 HD11 ILE A 101 -1.971 -2.789 3.255 1.00 11.13 H new ATOM 0 HD12 ILE A 101 -3.550 -2.488 4.020 1.00 11.13 H new ATOM 0 HD13 ILE A 101 -2.388 -1.154 3.820 1.00 11.13 H new ATOM 1534 N GLY A 102 -2.647 0.563 8.695 1.00 4.21 N ATOM 1535 CA GLY A 102 -3.333 1.239 9.790 1.00 32.43 C ATOM 1536 C GLY A 102 -3.700 2.659 9.430 1.00 23.35 C ATOM 1537 O GLY A 102 -4.798 3.144 9.735 1.00 43.13 O ATOM 0 H GLY A 102 -1.723 0.203 8.932 1.00 4.21 H new ATOM 0 HA2 GLY A 102 -4.235 0.685 10.051 1.00 32.43 H new ATOM 0 HA3 GLY A 102 -2.694 1.241 10.673 1.00 32.43 H new ATOM 1541 N ILE A 103 -2.792 3.301 8.751 1.00 63.32 N ATOM 1542 CA ILE A 103 -2.971 4.649 8.293 1.00 52.43 C ATOM 1543 C ILE A 103 -4.006 4.694 7.179 1.00 0.33 C ATOM 1544 O ILE A 103 -4.905 5.515 7.211 1.00 1.42 O ATOM 1545 CB ILE A 103 -1.632 5.216 7.794 1.00 72.25 C ATOM 1546 CG1 ILE A 103 -0.628 5.216 8.947 1.00 60.31 C ATOM 1547 CG2 ILE A 103 -1.813 6.625 7.213 1.00 71.24 C ATOM 1548 CD1 ILE A 103 0.792 5.438 8.524 1.00 21.34 C ATOM 0 H ILE A 103 -1.892 2.895 8.496 1.00 63.32 H new ATOM 0 HA ILE A 103 -3.326 5.258 9.124 1.00 52.43 H new ATOM 0 HB ILE A 103 -1.251 4.586 6.991 1.00 72.25 H new ATOM 0 HG12 ILE A 103 -0.909 5.992 9.659 1.00 60.31 H new ATOM 0 HG13 ILE A 103 -0.694 4.263 9.472 1.00 60.31 H new ATOM 0 HG21 ILE A 103 -0.851 7.002 6.867 1.00 71.24 H new ATOM 0 HG22 ILE A 103 -2.510 6.587 6.375 1.00 71.24 H new ATOM 0 HG23 ILE A 103 -2.208 7.288 7.983 1.00 71.24 H new ATOM 0 HD11 ILE A 103 1.439 5.424 9.401 1.00 21.34 H new ATOM 0 HD12 ILE A 103 1.095 4.648 7.837 1.00 21.34 H new ATOM 0 HD13 ILE A 103 0.877 6.404 8.026 1.00 21.34 H new ATOM 1560 N ILE A 104 -3.896 3.776 6.234 1.00 63.14 N ATOM 1561 CA ILE A 104 -4.781 3.740 5.073 1.00 11.34 C ATOM 1562 C ILE A 104 -6.237 3.537 5.494 1.00 25.41 C ATOM 1563 O ILE A 104 -7.109 4.325 5.116 1.00 63.22 O ATOM 1564 CB ILE A 104 -4.376 2.590 4.110 1.00 24.31 C ATOM 1565 CG1 ILE A 104 -2.949 2.792 3.608 1.00 61.30 C ATOM 1566 CG2 ILE A 104 -5.344 2.499 2.930 1.00 5.14 C ATOM 1567 CD1 ILE A 104 -2.388 1.599 2.867 1.00 42.24 C ATOM 0 H ILE A 104 -3.195 3.035 6.246 1.00 63.14 H new ATOM 0 HA ILE A 104 -4.684 4.699 4.564 1.00 11.34 H new ATOM 0 HB ILE A 104 -4.424 1.653 4.664 1.00 24.31 H new ATOM 0 HG12 ILE A 104 -2.925 3.661 2.950 1.00 61.30 H new ATOM 0 HG13 ILE A 104 -2.304 3.017 4.457 1.00 61.30 H new ATOM 0 HG21 ILE A 104 -5.039 1.686 2.271 1.00 5.14 H new ATOM 0 HG22 ILE A 104 -6.351 2.307 3.300 1.00 5.14 H new ATOM 0 HG23 ILE A 104 -5.333 3.438 2.377 1.00 5.14 H new ATOM 0 HD11 ILE A 104 -1.371 1.818 2.541 1.00 42.24 H new ATOM 0 HD12 ILE A 104 -2.379 0.732 3.527 1.00 42.24 H new ATOM 0 HD13 ILE A 104 -3.009 1.386 1.997 1.00 42.24 H new ATOM 1579 N GLU A 105 -6.486 2.531 6.322 1.00 1.05 N ATOM 1580 CA GLU A 105 -7.838 2.254 6.753 1.00 61.43 C ATOM 1581 C GLU A 105 -8.374 3.378 7.633 1.00 4.43 C ATOM 1582 O GLU A 105 -9.521 3.802 7.487 1.00 63.14 O ATOM 1583 CB GLU A 105 -7.981 0.863 7.410 1.00 64.15 C ATOM 1584 CG GLU A 105 -7.156 0.638 8.667 1.00 13.41 C ATOM 1585 CD GLU A 105 -7.370 -0.743 9.252 1.00 51.33 C ATOM 1586 OE1 GLU A 105 -6.707 -1.692 8.822 1.00 43.12 O ATOM 1587 OE2 GLU A 105 -8.239 -0.894 10.135 1.00 73.23 O ATOM 0 H GLU A 105 -5.776 1.904 6.701 1.00 1.05 H new ATOM 0 HA GLU A 105 -8.461 2.218 5.859 1.00 61.43 H new ATOM 0 HB2 GLU A 105 -9.031 0.703 7.654 1.00 64.15 H new ATOM 0 HB3 GLU A 105 -7.705 0.105 6.677 1.00 64.15 H new ATOM 0 HG2 GLU A 105 -6.100 0.773 8.435 1.00 13.41 H new ATOM 0 HG3 GLU A 105 -7.418 1.390 9.411 1.00 13.41 H new ATOM 1594 N GLY A 106 -7.514 3.897 8.503 1.00 71.22 N ATOM 1595 CA GLY A 106 -7.900 4.954 9.404 1.00 43.04 C ATOM 1596 C GLY A 106 -8.166 6.268 8.694 1.00 63.44 C ATOM 1597 O GLY A 106 -9.101 6.980 9.047 1.00 12.04 O ATOM 0 H GLY A 106 -6.544 3.595 8.596 1.00 71.22 H new ATOM 0 HA2 GLY A 106 -8.796 4.653 9.947 1.00 43.04 H new ATOM 0 HA3 GLY A 106 -7.113 5.099 10.144 1.00 43.04 H new ATOM 1601 N ASN A 107 -7.390 6.549 7.656 1.00 0.15 N ATOM 1602 CA ASN A 107 -7.493 7.807 6.895 1.00 50.34 C ATOM 1603 C ASN A 107 -8.841 7.896 6.220 1.00 33.50 C ATOM 1604 O ASN A 107 -9.494 8.941 6.247 1.00 62.33 O ATOM 1605 CB ASN A 107 -6.376 7.885 5.833 1.00 25.53 C ATOM 1606 CG ASN A 107 -6.406 9.162 4.998 1.00 1.33 C ATOM 1607 OD1 ASN A 107 -7.063 9.231 3.971 1.00 13.22 O ATOM 1608 ND2 ASN A 107 -5.662 10.160 5.414 1.00 43.52 N ATOM 0 H ASN A 107 -6.668 5.917 7.310 1.00 0.15 H new ATOM 0 HA ASN A 107 -7.382 8.641 7.588 1.00 50.34 H new ATOM 0 HB2 ASN A 107 -5.409 7.810 6.331 1.00 25.53 H new ATOM 0 HB3 ASN A 107 -6.460 7.025 5.168 1.00 25.53 H new ATOM 0 HD21 ASN A 107 -5.621 11.025 4.875 1.00 43.52 H new ATOM 0 HD22 ASN A 107 -5.125 10.071 6.276 1.00 43.52 H new ATOM 1615 N ILE A 108 -9.283 6.775 5.686 1.00 51.04 N ATOM 1616 CA ILE A 108 -10.571 6.679 5.030 1.00 22.33 C ATOM 1617 C ILE A 108 -11.694 6.969 6.034 1.00 71.32 C ATOM 1618 O ILE A 108 -12.666 7.655 5.720 1.00 31.43 O ATOM 1619 CB ILE A 108 -10.755 5.270 4.398 1.00 10.15 C ATOM 1620 CG1 ILE A 108 -9.645 5.025 3.363 1.00 12.42 C ATOM 1621 CG2 ILE A 108 -12.138 5.128 3.759 1.00 10.03 C ATOM 1622 CD1 ILE A 108 -9.643 3.640 2.760 1.00 53.11 C ATOM 0 H ILE A 108 -8.756 5.902 5.695 1.00 51.04 H new ATOM 0 HA ILE A 108 -10.615 7.420 4.232 1.00 22.33 H new ATOM 0 HB ILE A 108 -10.682 4.519 5.184 1.00 10.15 H new ATOM 0 HG12 ILE A 108 -9.746 5.756 2.561 1.00 12.42 H new ATOM 0 HG13 ILE A 108 -8.679 5.203 3.836 1.00 12.42 H new ATOM 0 HG21 ILE A 108 -12.238 4.133 3.325 1.00 10.03 H new ATOM 0 HG22 ILE A 108 -12.906 5.272 4.519 1.00 10.03 H new ATOM 0 HG23 ILE A 108 -12.256 5.878 2.977 1.00 10.03 H new ATOM 0 HD11 ILE A 108 -8.827 3.557 2.042 1.00 53.11 H new ATOM 0 HD12 ILE A 108 -9.508 2.900 3.549 1.00 53.11 H new ATOM 0 HD13 ILE A 108 -10.592 3.462 2.254 1.00 53.11 H new ATOM 1634 N ARG A 109 -11.533 6.471 7.244 1.00 64.21 N ATOM 1635 CA ARG A 109 -12.502 6.683 8.305 1.00 70.33 C ATOM 1636 C ARG A 109 -12.569 8.156 8.688 1.00 64.21 C ATOM 1637 O ARG A 109 -13.646 8.696 8.865 1.00 42.03 O ATOM 1638 CB ARG A 109 -12.151 5.822 9.515 1.00 21.33 C ATOM 1639 CG ARG A 109 -11.980 4.378 9.135 1.00 20.24 C ATOM 1640 CD ARG A 109 -11.682 3.470 10.302 1.00 52.03 C ATOM 1641 NE ARG A 109 -11.573 2.093 9.828 1.00 73.40 N ATOM 1642 CZ ARG A 109 -10.615 1.219 10.133 1.00 53.23 C ATOM 1643 NH1 ARG A 109 -9.640 1.524 10.983 1.00 61.33 N ATOM 1644 NH2 ARG A 109 -10.627 0.035 9.571 1.00 52.24 N ATOM 0 H ARG A 109 -10.728 5.908 7.521 1.00 64.21 H new ATOM 0 HA ARG A 109 -13.486 6.387 7.943 1.00 70.33 H new ATOM 0 HB2 ARG A 109 -11.232 6.190 9.970 1.00 21.33 H new ATOM 0 HB3 ARG A 109 -12.936 5.911 10.266 1.00 21.33 H new ATOM 0 HG2 ARG A 109 -12.888 4.032 8.641 1.00 20.24 H new ATOM 0 HG3 ARG A 109 -11.171 4.297 8.408 1.00 20.24 H new ATOM 0 HD2 ARG A 109 -10.754 3.774 10.786 1.00 52.03 H new ATOM 0 HD3 ARG A 109 -12.472 3.548 11.049 1.00 52.03 H new ATOM 0 HE ARG A 109 -12.306 1.767 9.198 1.00 73.40 H new ATOM 0 HH11 ARG A 109 -9.613 2.446 11.419 1.00 61.33 H new ATOM 0 HH12 ARG A 109 -8.918 0.836 11.199 1.00 61.33 H new ATOM 0 HH21 ARG A 109 -11.364 -0.208 8.909 1.00 52.24 H new ATOM 0 HH22 ARG A 109 -9.899 -0.644 9.796 1.00 52.24 H new ATOM 1658 N TYR A 110 -11.412 8.799 8.768 1.00 2.11 N ATOM 1659 CA TYR A 110 -11.344 10.217 9.124 1.00 63.40 C ATOM 1660 C TYR A 110 -11.932 11.089 8.025 1.00 42.23 C ATOM 1661 O TYR A 110 -12.568 12.082 8.299 1.00 21.14 O ATOM 1662 CB TYR A 110 -9.909 10.667 9.451 1.00 75.31 C ATOM 1663 CG TYR A 110 -9.261 9.918 10.601 1.00 43.14 C ATOM 1664 CD1 TYR A 110 -9.962 9.654 11.774 1.00 62.14 C ATOM 1665 CD2 TYR A 110 -7.954 9.460 10.502 1.00 32.31 C ATOM 1666 CE1 TYR A 110 -9.376 8.957 12.812 1.00 54.44 C ATOM 1667 CE2 TYR A 110 -7.364 8.759 11.535 1.00 3.33 C ATOM 1668 CZ TYR A 110 -8.080 8.512 12.686 1.00 62.51 C ATOM 1669 OH TYR A 110 -7.498 7.810 13.714 1.00 72.12 O ATOM 0 H TYR A 110 -10.506 8.365 8.592 1.00 2.11 H new ATOM 0 HA TYR A 110 -11.942 10.341 10.027 1.00 63.40 H new ATOM 0 HB2 TYR A 110 -9.292 10.545 8.561 1.00 75.31 H new ATOM 0 HB3 TYR A 110 -9.920 11.731 9.688 1.00 75.31 H new ATOM 0 HD1 TYR A 110 -10.980 10.000 11.874 1.00 62.14 H new ATOM 0 HD2 TYR A 110 -7.390 9.655 9.602 1.00 32.31 H new ATOM 0 HE1 TYR A 110 -9.932 8.762 13.717 1.00 54.44 H new ATOM 0 HE2 TYR A 110 -6.347 8.406 11.441 1.00 3.33 H new ATOM 0 HH TYR A 110 -6.581 7.567 13.467 1.00 72.12 H new ATOM 1679 N ALA A 111 -11.695 10.717 6.784 1.00 64.32 N ATOM 1680 CA ALA A 111 -12.218 11.469 5.650 1.00 3.20 C ATOM 1681 C ALA A 111 -13.751 11.410 5.587 1.00 70.54 C ATOM 1682 O ALA A 111 -14.401 12.360 5.170 1.00 61.15 O ATOM 1683 CB ALA A 111 -11.614 10.951 4.352 1.00 54.45 C ATOM 0 H ALA A 111 -11.143 9.898 6.529 1.00 64.32 H new ATOM 0 HA ALA A 111 -11.935 12.513 5.785 1.00 3.20 H new ATOM 0 HB1 ALA A 111 -12.012 11.521 3.512 1.00 54.45 H new ATOM 0 HB2 ALA A 111 -10.530 11.063 4.385 1.00 54.45 H new ATOM 0 HB3 ALA A 111 -11.866 9.898 4.228 1.00 54.45 H new ATOM 1689 N ASN A 112 -14.309 10.286 6.001 1.00 42.13 N ATOM 1690 CA ASN A 112 -15.763 10.072 5.953 1.00 51.35 C ATOM 1691 C ASN A 112 -16.547 10.749 7.073 1.00 31.02 C ATOM 1692 O ASN A 112 -17.772 10.826 7.002 1.00 71.33 O ATOM 1693 CB ASN A 112 -16.134 8.582 5.853 1.00 24.20 C ATOM 1694 CG ASN A 112 -16.001 8.023 4.441 1.00 61.21 C ATOM 1695 OD1 ASN A 112 -16.947 8.030 3.669 1.00 0.14 O ATOM 1696 ND2 ASN A 112 -14.837 7.542 4.089 1.00 53.24 N ATOM 0 H ASN A 112 -13.783 9.498 6.378 1.00 42.13 H new ATOM 0 HA ASN A 112 -16.070 10.569 5.033 1.00 51.35 H new ATOM 0 HB2 ASN A 112 -15.495 8.009 6.525 1.00 24.20 H new ATOM 0 HB3 ASN A 112 -17.160 8.446 6.195 1.00 24.20 H new ATOM 0 HD21 ASN A 112 -14.705 7.162 3.152 1.00 53.24 H new ATOM 0 HD22 ASN A 112 -14.062 7.547 4.752 1.00 53.24 H new