USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1090 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 121 LYS NZ :NH3+ 150:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 125 ASN : amide:sc= -0.139 K(o=1.1,f=-5.6) USER MOD Set 2.1: A 13 ASN : amide:sc= 0.949 K(o=3.1,f=-1.7) USER MOD Set 2.2: A 46 TYR OH : rot 53:sc= 2.18 USER MOD Set 3.1: A 23 SER OG : rot 69:sc= 2.26 USER MOD Set 3.2: A 26 SER OG : rot 74:sc= 0.265 USER MOD Set 3.3: A 66 HIS : no HD1:sc= 0.232 K(o=2.8,f=-6.8!) USER MOD Set 4.1: A 18 SER OG : rot -107:sc= 1.98 USER MOD Set 4.2: A 21 SER OG : rot 137:sc= 1.21 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -68:sc= 1.56 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -70:sc= 0.977 USER MOD Single : A 19 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 126:sc= 0.836 (180deg=-0.3) USER MOD Single : A 42 MET CE :methyl -161:sc= -0.242 (180deg=-0.939) USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= 1.26 (180deg=-0.291) USER MOD Single : A 47 MET CE :methyl 152:sc= -0.775 (180deg=-1.52) USER MOD Single : A 51 SER OG : rot 84:sc= 0.0857 USER MOD Single : A 53 ASN : amide:sc= 0.241 K(o=0.24,f=-5.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 57 LYS NZ :NH3+ -152:sc= 0.194 (180deg=-0.486!) USER MOD Single : A 62 TYR OH : rot 180:sc=-0.00455 USER MOD Single : A 64 MET CE :methyl -153:sc= -0.0813 (180deg=-0.505) USER MOD Single : A 65 ASN : amide:sc= -0.357 K(o=-0.36,f=-1.6) USER MOD Single : A 69 GLN : amide:sc= 0.264 K(o=0.26,f=-3.9!) USER MOD Single : A 70 GLN : amide:sc= -0.626 K(o=-0.63,f=-4.2!) USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= 1.28 (180deg=0.757) USER MOD Single : A 74 GLN : amide:sc= -0.0224 K(o=-0.022,f=-1) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 0.559 (180deg=0.439) USER MOD Single : A 78 GLN : amide:sc= -0.755 K(o=-0.75,f=-1.7!) USER MOD Single : A 80 GLN : amide:sc= 0.153 K(o=0.15,f=-0.84) USER MOD Single : A 82 SER OG : rot 91:sc= 1.23 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.532 X(o=-0.53,f=-0.48) USER MOD Single : A 96 GLN : amide:sc= 0.818 K(o=0.82,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.15) USER MOD Single : A 107 SER OG : rot 43:sc= 0.27 USER MOD Single : A 111 ASN : amide:sc= 0.932 K(o=0.93,f=-0.51) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.16) USER MOD Single : A 117 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 120 SER OG : rot 180:sc= 0.13 USER MOD Single : A 122 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.0079) USER MOD Single : A 130 SER OG : rot 84:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 7 14.643 -5.079 -6.688 1.00 0.63 N ATOM 69 CA GLN A 7 14.867 -5.245 -5.256 1.00 0.61 C ATOM 70 C GLN A 7 13.566 -5.058 -4.484 1.00 0.52 C ATOM 71 O GLN A 7 13.327 -5.727 -3.480 1.00 0.61 O ATOM 72 CB GLN A 7 15.930 -4.265 -4.758 1.00 0.75 C ATOM 73 CG GLN A 7 17.327 -4.591 -5.255 1.00 1.58 C ATOM 74 CD GLN A 7 18.415 -4.062 -4.344 1.00 2.04 C ATOM 75 OE1 GLN A 7 18.778 -4.707 -3.361 1.00 2.40 O ATOM 76 NE2 GLN A 7 18.957 -2.902 -4.677 1.00 2.75 N ATOM 0 HA GLN A 7 15.227 -6.259 -5.083 1.00 0.61 H new ATOM 0 HB2 GLN A 7 15.664 -3.258 -5.078 1.00 0.75 H new ATOM 0 HB3 GLN A 7 15.931 -4.263 -3.668 1.00 0.75 H new ATOM 0 HG2 GLN A 7 17.431 -5.672 -5.347 1.00 1.58 H new ATOM 0 HG3 GLN A 7 17.459 -4.172 -6.252 1.00 1.58 H new ATOM 0 HE21 GLN A 7 18.624 -2.401 -5.501 1.00 2.75 H new ATOM 0 HE22 GLN A 7 19.708 -2.508 -4.110 1.00 2.75 H new ATOM 85 N PHE A 8 12.723 -4.155 -4.975 1.00 0.49 N ATOM 86 CA PHE A 8 11.438 -3.879 -4.348 1.00 0.45 C ATOM 87 C PHE A 8 10.544 -5.114 -4.408 1.00 0.44 C ATOM 88 O PHE A 8 9.955 -5.515 -3.407 1.00 0.42 O ATOM 89 CB PHE A 8 10.757 -2.693 -5.041 1.00 0.51 C ATOM 90 CG PHE A 8 9.410 -2.340 -4.473 1.00 0.48 C ATOM 91 CD1 PHE A 8 9.304 -1.657 -3.272 1.00 0.89 C ATOM 92 CD2 PHE A 8 8.249 -2.686 -5.145 1.00 0.88 C ATOM 93 CE1 PHE A 8 8.065 -1.327 -2.752 1.00 0.91 C ATOM 94 CE2 PHE A 8 7.009 -2.361 -4.630 1.00 0.90 C ATOM 95 CZ PHE A 8 6.917 -1.680 -3.433 1.00 0.55 C ATOM 0 H PHE A 8 12.910 -3.600 -5.810 1.00 0.49 H new ATOM 0 HA PHE A 8 11.606 -3.623 -3.302 1.00 0.45 H new ATOM 0 HB2 PHE A 8 11.409 -1.822 -4.971 1.00 0.51 H new ATOM 0 HB3 PHE A 8 10.644 -2.921 -6.101 1.00 0.51 H new ATOM 0 HD1 PHE A 8 10.199 -1.379 -2.735 1.00 0.89 H new ATOM 0 HD2 PHE A 8 8.314 -3.217 -6.083 1.00 0.88 H new ATOM 0 HE1 PHE A 8 7.996 -0.794 -1.815 1.00 0.91 H new ATOM 0 HE2 PHE A 8 6.112 -2.640 -5.164 1.00 0.90 H new ATOM 0 HZ PHE A 8 5.948 -1.424 -3.030 1.00 0.55 H new ATOM 105 N THR A 9 10.468 -5.722 -5.585 1.00 0.50 N ATOM 106 CA THR A 9 9.658 -6.912 -5.781 1.00 0.56 C ATOM 107 C THR A 9 10.177 -8.068 -4.934 1.00 0.56 C ATOM 108 O THR A 9 9.399 -8.831 -4.361 1.00 0.60 O ATOM 109 CB THR A 9 9.660 -7.320 -7.260 1.00 0.67 C ATOM 110 OG1 THR A 9 10.417 -6.360 -8.008 1.00 0.76 O ATOM 111 CG2 THR A 9 8.245 -7.395 -7.808 1.00 0.86 C ATOM 0 H THR A 9 10.961 -5.407 -6.420 1.00 0.50 H new ATOM 0 HA THR A 9 8.639 -6.679 -5.471 1.00 0.56 H new ATOM 0 HB THR A 9 10.111 -8.308 -7.351 1.00 0.67 H new ATOM 0 HG1 THR A 9 9.945 -5.501 -8.010 1.00 0.76 H new ATOM 0 HG21 THR A 9 8.276 -7.686 -8.858 1.00 0.86 H new ATOM 0 HG22 THR A 9 7.675 -8.133 -7.244 1.00 0.86 H new ATOM 0 HG23 THR A 9 7.767 -6.420 -7.716 1.00 0.86 H new ATOM 119 N THR A 10 11.498 -8.178 -4.847 1.00 0.57 N ATOM 120 CA THR A 10 12.121 -9.231 -4.058 1.00 0.63 C ATOM 121 C THR A 10 11.767 -9.075 -2.577 1.00 0.58 C ATOM 122 O THR A 10 11.572 -10.064 -1.866 1.00 0.66 O ATOM 123 CB THR A 10 13.653 -9.226 -4.230 1.00 0.71 C ATOM 124 OG1 THR A 10 13.989 -9.142 -5.623 1.00 1.42 O ATOM 125 CG2 THR A 10 14.275 -10.481 -3.636 1.00 1.31 C ATOM 0 H THR A 10 12.155 -7.552 -5.312 1.00 0.57 H new ATOM 0 HA THR A 10 11.736 -10.185 -4.419 1.00 0.63 H new ATOM 0 HB THR A 10 14.049 -8.358 -3.702 1.00 0.71 H new ATOM 0 HG1 THR A 10 14.964 -9.138 -5.725 1.00 1.42 H new ATOM 0 HG21 THR A 10 15.356 -10.450 -3.772 1.00 1.31 H new ATOM 0 HG22 THR A 10 14.044 -10.533 -2.572 1.00 1.31 H new ATOM 0 HG23 THR A 10 13.871 -11.360 -4.138 1.00 1.31 H new ATOM 133 N LYS A 11 11.670 -7.824 -2.127 1.00 0.51 N ATOM 134 CA LYS A 11 11.320 -7.530 -0.740 1.00 0.50 C ATOM 135 C LYS A 11 9.899 -7.997 -0.444 1.00 0.48 C ATOM 136 O LYS A 11 9.634 -8.577 0.605 1.00 0.52 O ATOM 137 CB LYS A 11 11.432 -6.028 -0.454 1.00 0.50 C ATOM 138 CG LYS A 11 12.861 -5.529 -0.291 1.00 0.59 C ATOM 139 CD LYS A 11 13.487 -6.040 0.997 1.00 0.80 C ATOM 140 CE LYS A 11 14.800 -5.334 1.299 1.00 1.06 C ATOM 141 NZ LYS A 11 15.499 -5.936 2.465 1.00 1.30 N ATOM 0 H LYS A 11 11.829 -6.998 -2.704 1.00 0.51 H new ATOM 0 HA LYS A 11 12.020 -8.064 -0.097 1.00 0.50 H new ATOM 0 HB2 LYS A 11 10.958 -5.478 -1.267 1.00 0.50 H new ATOM 0 HB3 LYS A 11 10.873 -5.800 0.454 1.00 0.50 H new ATOM 0 HG2 LYS A 11 13.460 -5.854 -1.142 1.00 0.59 H new ATOM 0 HG3 LYS A 11 12.869 -4.439 -0.293 1.00 0.59 H new ATOM 0 HD2 LYS A 11 12.793 -5.889 1.824 1.00 0.80 H new ATOM 0 HD3 LYS A 11 13.660 -7.113 0.918 1.00 0.80 H new ATOM 0 HE2 LYS A 11 15.447 -5.382 0.423 1.00 1.06 H new ATOM 0 HE3 LYS A 11 14.608 -4.279 1.496 1.00 1.06 H new ATOM 0 HZ1 LYS A 11 16.389 -5.426 2.637 1.00 1.30 H new ATOM 0 HZ2 LYS A 11 14.892 -5.868 3.307 1.00 1.30 H new ATOM 0 HZ3 LYS A 11 15.706 -6.936 2.268 1.00 1.30 H new ATOM 155 N LEU A 12 9.000 -7.753 -1.391 1.00 0.47 N ATOM 156 CA LEU A 12 7.599 -8.141 -1.250 1.00 0.50 C ATOM 157 C LEU A 12 7.455 -9.654 -1.122 1.00 0.56 C ATOM 158 O LEU A 12 6.590 -10.148 -0.402 1.00 0.65 O ATOM 159 CB LEU A 12 6.793 -7.655 -2.460 1.00 0.54 C ATOM 160 CG LEU A 12 5.996 -6.364 -2.255 1.00 0.66 C ATOM 161 CD1 LEU A 12 4.931 -6.552 -1.186 1.00 1.57 C ATOM 162 CD2 LEU A 12 6.919 -5.211 -1.893 1.00 0.84 C ATOM 0 H LEU A 12 9.218 -7.285 -2.271 1.00 0.47 H new ATOM 0 HA LEU A 12 7.215 -7.677 -0.341 1.00 0.50 H new ATOM 0 HB2 LEU A 12 7.479 -7.508 -3.294 1.00 0.54 H new ATOM 0 HB3 LEU A 12 6.101 -8.445 -2.752 1.00 0.54 H new ATOM 0 HG LEU A 12 5.499 -6.121 -3.194 1.00 0.66 H new ATOM 0 HD11 LEU A 12 4.377 -5.622 -1.057 1.00 1.57 H new ATOM 0 HD12 LEU A 12 4.246 -7.343 -1.490 1.00 1.57 H new ATOM 0 HD13 LEU A 12 5.406 -6.825 -0.244 1.00 1.57 H new ATOM 0 HD21 LEU A 12 6.331 -4.304 -1.752 1.00 0.84 H new ATOM 0 HD22 LEU A 12 7.450 -5.446 -0.971 1.00 0.84 H new ATOM 0 HD23 LEU A 12 7.639 -5.055 -2.696 1.00 0.84 H new ATOM 174 N ASN A 13 8.322 -10.381 -1.814 1.00 0.60 N ATOM 175 CA ASN A 13 8.284 -11.841 -1.799 1.00 0.71 C ATOM 176 C ASN A 13 8.898 -12.409 -0.520 1.00 0.72 C ATOM 177 O ASN A 13 8.854 -13.616 -0.288 1.00 0.87 O ATOM 178 CB ASN A 13 9.018 -12.405 -3.020 1.00 0.82 C ATOM 179 CG ASN A 13 8.379 -11.985 -4.332 1.00 1.14 C ATOM 180 OD1 ASN A 13 7.185 -11.691 -4.390 1.00 1.53 O ATOM 181 ND2 ASN A 13 9.169 -11.961 -5.396 1.00 1.59 N ATOM 0 H ASN A 13 9.062 -9.985 -2.394 1.00 0.60 H new ATOM 0 HA ASN A 13 7.237 -12.141 -1.833 1.00 0.71 H new ATOM 0 HB2 ASN A 13 10.055 -12.071 -3.002 1.00 0.82 H new ATOM 0 HB3 ASN A 13 9.033 -13.493 -2.960 1.00 0.82 H new ATOM 0 HD21 ASN A 13 8.792 -11.692 -6.305 1.00 1.59 H new ATOM 0 HD22 ASN A 13 10.154 -12.212 -5.306 1.00 1.59 H new ATOM 188 N THR A 14 9.465 -11.541 0.309 1.00 0.67 N ATOM 189 CA THR A 14 10.083 -11.982 1.554 1.00 0.74 C ATOM 190 C THR A 14 9.484 -11.266 2.764 1.00 0.68 C ATOM 191 O THR A 14 10.073 -11.254 3.845 1.00 0.81 O ATOM 192 CB THR A 14 11.611 -11.760 1.524 1.00 0.85 C ATOM 193 OG1 THR A 14 11.921 -10.539 0.838 1.00 1.63 O ATOM 194 CG2 THR A 14 12.314 -12.923 0.840 1.00 1.47 C ATOM 0 H THR A 14 9.510 -10.535 0.144 1.00 0.67 H new ATOM 0 HA THR A 14 9.880 -13.049 1.649 1.00 0.74 H new ATOM 0 HB THR A 14 11.964 -11.695 2.553 1.00 0.85 H new ATOM 0 HG1 THR A 14 11.735 -10.645 -0.118 1.00 1.63 H new ATOM 0 HG21 THR A 14 13.389 -12.744 0.831 1.00 1.47 H new ATOM 0 HG22 THR A 14 12.104 -13.845 1.383 1.00 1.47 H new ATOM 0 HG23 THR A 14 11.953 -13.015 -0.184 1.00 1.47 H new ATOM 202 N LEU A 15 8.303 -10.687 2.580 1.00 0.61 N ATOM 203 CA LEU A 15 7.631 -9.971 3.658 1.00 0.61 C ATOM 204 C LEU A 15 6.630 -10.867 4.382 1.00 0.60 C ATOM 205 O LEU A 15 6.318 -11.968 3.928 1.00 0.71 O ATOM 206 CB LEU A 15 6.917 -8.730 3.116 1.00 0.65 C ATOM 207 CG LEU A 15 7.804 -7.502 2.912 1.00 0.73 C ATOM 208 CD1 LEU A 15 6.976 -6.324 2.427 1.00 1.10 C ATOM 209 CD2 LEU A 15 8.533 -7.143 4.199 1.00 0.88 C ATOM 0 H LEU A 15 7.792 -10.699 1.697 1.00 0.61 H new ATOM 0 HA LEU A 15 8.394 -9.662 4.372 1.00 0.61 H new ATOM 0 HB2 LEU A 15 6.454 -8.985 2.163 1.00 0.65 H new ATOM 0 HB3 LEU A 15 6.112 -8.466 3.802 1.00 0.65 H new ATOM 0 HG LEU A 15 8.548 -7.741 2.152 1.00 0.73 H new ATOM 0 HD11 LEU A 15 7.623 -5.458 2.287 1.00 1.10 H new ATOM 0 HD12 LEU A 15 6.500 -6.579 1.480 1.00 1.10 H new ATOM 0 HD13 LEU A 15 6.210 -6.089 3.166 1.00 1.10 H new ATOM 0 HD21 LEU A 15 9.158 -6.266 4.031 1.00 0.88 H new ATOM 0 HD22 LEU A 15 7.805 -6.925 4.981 1.00 0.88 H new ATOM 0 HD23 LEU A 15 9.158 -7.980 4.509 1.00 0.88 H new ATOM 221 N GLU A 16 6.135 -10.381 5.512 1.00 0.65 N ATOM 222 CA GLU A 16 5.166 -11.114 6.314 1.00 0.72 C ATOM 223 C GLU A 16 4.114 -10.143 6.842 1.00 0.70 C ATOM 224 O GLU A 16 4.132 -8.965 6.495 1.00 0.70 O ATOM 225 CB GLU A 16 5.861 -11.831 7.475 1.00 0.83 C ATOM 226 CG GLU A 16 5.236 -13.179 7.814 1.00 1.28 C ATOM 227 CD GLU A 16 5.131 -13.425 9.306 1.00 1.56 C ATOM 228 OE1 GLU A 16 5.066 -12.445 10.074 1.00 2.16 O ATOM 229 OE2 GLU A 16 5.101 -14.603 9.717 1.00 2.16 O ATOM 0 H GLU A 16 6.392 -9.472 5.897 1.00 0.65 H new ATOM 0 HA GLU A 16 4.683 -11.868 5.693 1.00 0.72 H new ATOM 0 HB2 GLU A 16 6.912 -11.978 7.225 1.00 0.83 H new ATOM 0 HB3 GLU A 16 5.830 -11.192 8.358 1.00 0.83 H new ATOM 0 HG2 GLU A 16 4.241 -13.234 7.372 1.00 1.28 H new ATOM 0 HG3 GLU A 16 5.830 -13.973 7.361 1.00 1.28 H new ATOM 236 N ASP A 17 3.216 -10.624 7.691 1.00 0.77 N ATOM 237 CA ASP A 17 2.162 -9.776 8.240 1.00 0.82 C ATOM 238 C ASP A 17 2.591 -9.136 9.558 1.00 0.79 C ATOM 239 O ASP A 17 1.772 -8.570 10.278 1.00 1.05 O ATOM 240 CB ASP A 17 0.868 -10.573 8.435 1.00 1.00 C ATOM 241 CG ASP A 17 1.044 -11.773 9.344 1.00 1.27 C ATOM 242 OD1 ASP A 17 1.368 -12.867 8.832 1.00 1.94 O ATOM 243 OD2 ASP A 17 0.843 -11.641 10.567 1.00 1.78 O ATOM 0 H ASP A 17 3.194 -11.591 8.014 1.00 0.77 H new ATOM 0 HA ASP A 17 1.977 -8.978 7.521 1.00 0.82 H new ATOM 0 HB2 ASP A 17 0.103 -9.918 8.851 1.00 1.00 H new ATOM 0 HB3 ASP A 17 0.505 -10.910 7.464 1.00 1.00 H new ATOM 248 N SER A 18 3.873 -9.227 9.866 1.00 0.74 N ATOM 249 CA SER A 18 4.403 -8.640 11.084 1.00 0.75 C ATOM 250 C SER A 18 4.742 -7.172 10.847 1.00 0.69 C ATOM 251 O SER A 18 5.391 -6.832 9.852 1.00 0.78 O ATOM 252 CB SER A 18 5.646 -9.410 11.527 1.00 0.84 C ATOM 253 OG SER A 18 6.183 -10.161 10.448 1.00 1.61 O ATOM 0 H SER A 18 4.567 -9.702 9.289 1.00 0.74 H new ATOM 0 HA SER A 18 3.652 -8.701 11.872 1.00 0.75 H new ATOM 0 HB2 SER A 18 6.397 -8.714 11.901 1.00 0.84 H new ATOM 0 HB3 SER A 18 5.392 -10.078 12.350 1.00 0.84 H new ATOM 0 HG SER A 18 5.992 -11.112 10.584 1.00 1.61 H new ATOM 259 N GLN A 19 4.308 -6.301 11.755 1.00 0.76 N ATOM 260 CA GLN A 19 4.571 -4.871 11.612 1.00 0.79 C ATOM 261 C GLN A 19 6.069 -4.593 11.632 1.00 0.73 C ATOM 262 O GLN A 19 6.539 -3.643 11.010 1.00 0.73 O ATOM 263 CB GLN A 19 3.855 -4.037 12.689 1.00 1.04 C ATOM 264 CG GLN A 19 3.438 -4.808 13.932 1.00 1.45 C ATOM 265 CD GLN A 19 1.967 -5.188 13.918 1.00 2.07 C ATOM 266 OE1 GLN A 19 1.133 -4.494 13.330 1.00 2.64 O ATOM 267 NE2 GLN A 19 1.637 -6.295 14.559 1.00 2.54 N ATOM 0 H GLN A 19 3.779 -6.556 12.589 1.00 0.76 H new ATOM 0 HA GLN A 19 4.168 -4.568 10.646 1.00 0.79 H new ATOM 0 HB2 GLN A 19 4.512 -3.221 12.990 1.00 1.04 H new ATOM 0 HB3 GLN A 19 2.967 -3.585 12.246 1.00 1.04 H new ATOM 0 HG2 GLN A 19 4.042 -5.712 14.014 1.00 1.45 H new ATOM 0 HG3 GLN A 19 3.645 -4.205 14.816 1.00 1.45 H new ATOM 0 HE21 GLN A 19 2.355 -6.843 15.034 1.00 2.54 H new ATOM 0 HE22 GLN A 19 0.665 -6.602 14.579 1.00 2.54 H new ATOM 276 N GLU A 20 6.816 -5.434 12.331 1.00 0.80 N ATOM 277 CA GLU A 20 8.261 -5.286 12.406 1.00 0.87 C ATOM 278 C GLU A 20 8.879 -5.561 11.043 1.00 0.75 C ATOM 279 O GLU A 20 9.751 -4.822 10.583 1.00 0.80 O ATOM 280 CB GLU A 20 8.850 -6.236 13.448 1.00 1.09 C ATOM 281 CG GLU A 20 8.168 -6.153 14.801 1.00 1.59 C ATOM 282 CD GLU A 20 7.086 -7.195 14.972 1.00 2.23 C ATOM 283 OE1 GLU A 20 6.333 -7.447 14.010 1.00 2.69 O ATOM 284 OE2 GLU A 20 6.980 -7.769 16.074 1.00 2.99 O ATOM 0 H GLU A 20 6.445 -6.227 12.855 1.00 0.80 H new ATOM 0 HA GLU A 20 8.489 -4.263 12.706 1.00 0.87 H new ATOM 0 HB2 GLU A 20 8.779 -7.258 13.077 1.00 1.09 H new ATOM 0 HB3 GLU A 20 9.910 -6.015 13.571 1.00 1.09 H new ATOM 0 HG2 GLU A 20 8.913 -6.276 15.587 1.00 1.59 H new ATOM 0 HG3 GLU A 20 7.734 -5.161 14.925 1.00 1.59 H new ATOM 291 N SER A 21 8.406 -6.621 10.393 1.00 0.69 N ATOM 292 CA SER A 21 8.898 -6.990 9.075 1.00 0.67 C ATOM 293 C SER A 21 8.549 -5.903 8.068 1.00 0.54 C ATOM 294 O SER A 21 9.365 -5.547 7.217 1.00 0.58 O ATOM 295 CB SER A 21 8.306 -8.330 8.638 1.00 0.74 C ATOM 296 OG SER A 21 8.561 -9.336 9.602 1.00 1.10 O ATOM 0 H SER A 21 7.682 -7.238 10.761 1.00 0.69 H new ATOM 0 HA SER A 21 9.982 -7.094 9.122 1.00 0.67 H new ATOM 0 HB2 SER A 21 7.231 -8.226 8.491 1.00 0.74 H new ATOM 0 HB3 SER A 21 8.732 -8.624 7.679 1.00 0.74 H new ATOM 0 HG SER A 21 7.751 -9.870 9.740 1.00 1.10 H new ATOM 302 N ILE A 22 7.334 -5.369 8.175 1.00 0.47 N ATOM 303 CA ILE A 22 6.898 -4.303 7.289 1.00 0.42 C ATOM 304 C ILE A 22 7.774 -3.076 7.510 1.00 0.42 C ATOM 305 O ILE A 22 8.313 -2.513 6.562 1.00 0.42 O ATOM 306 CB ILE A 22 5.412 -3.935 7.518 1.00 0.47 C ATOM 307 CG1 ILE A 22 4.519 -5.170 7.350 1.00 0.53 C ATOM 308 CG2 ILE A 22 4.978 -2.838 6.555 1.00 0.54 C ATOM 309 CD1 ILE A 22 4.502 -5.730 5.942 1.00 0.88 C ATOM 0 H ILE A 22 6.640 -5.658 8.864 1.00 0.47 H new ATOM 0 HA ILE A 22 6.995 -4.655 6.262 1.00 0.42 H new ATOM 0 HB ILE A 22 5.306 -3.565 8.538 1.00 0.47 H new ATOM 0 HG12 ILE A 22 4.858 -5.947 8.035 1.00 0.53 H new ATOM 0 HG13 ILE A 22 3.500 -4.912 7.640 1.00 0.53 H new ATOM 0 HG21 ILE A 22 3.931 -2.593 6.731 1.00 0.54 H new ATOM 0 HG22 ILE A 22 5.590 -1.950 6.715 1.00 0.54 H new ATOM 0 HG23 ILE A 22 5.102 -3.185 5.529 1.00 0.54 H new ATOM 0 HD11 ILE A 22 3.848 -6.601 5.905 1.00 0.88 H new ATOM 0 HD12 ILE A 22 4.134 -4.970 5.253 1.00 0.88 H new ATOM 0 HD13 ILE A 22 5.512 -6.022 5.654 1.00 0.88 H new ATOM 321 N SER A 23 7.947 -2.699 8.776 1.00 0.46 N ATOM 322 CA SER A 23 8.777 -1.551 9.133 1.00 0.50 C ATOM 323 C SER A 23 10.201 -1.719 8.604 1.00 0.49 C ATOM 324 O SER A 23 10.836 -0.748 8.193 1.00 0.55 O ATOM 325 CB SER A 23 8.811 -1.365 10.651 1.00 0.59 C ATOM 326 OG SER A 23 7.514 -1.121 11.168 1.00 1.18 O ATOM 0 H SER A 23 7.522 -3.173 9.573 1.00 0.46 H new ATOM 0 HA SER A 23 8.336 -0.666 8.674 1.00 0.50 H new ATOM 0 HB2 SER A 23 9.230 -2.255 11.120 1.00 0.59 H new ATOM 0 HB3 SER A 23 9.468 -0.533 10.903 1.00 0.59 H new ATOM 0 HG SER A 23 6.973 -1.935 11.093 1.00 1.18 H new ATOM 332 N SER A 24 10.688 -2.955 8.613 1.00 0.50 N ATOM 333 CA SER A 24 12.031 -3.263 8.138 1.00 0.54 C ATOM 334 C SER A 24 12.199 -2.869 6.668 1.00 0.50 C ATOM 335 O SER A 24 13.241 -2.339 6.272 1.00 0.67 O ATOM 336 CB SER A 24 12.314 -4.758 8.316 1.00 0.62 C ATOM 337 OG SER A 24 13.705 -5.014 8.408 1.00 1.16 O ATOM 0 H SER A 24 10.167 -3.766 8.947 1.00 0.50 H new ATOM 0 HA SER A 24 12.744 -2.686 8.727 1.00 0.54 H new ATOM 0 HB2 SER A 24 11.816 -5.119 9.216 1.00 0.62 H new ATOM 0 HB3 SER A 24 11.895 -5.312 7.475 1.00 0.62 H new ATOM 0 HG SER A 24 13.854 -5.976 8.523 1.00 1.16 H new ATOM 343 N ALA A 25 11.167 -3.118 5.870 1.00 0.42 N ATOM 344 CA ALA A 25 11.205 -2.793 4.452 1.00 0.40 C ATOM 345 C ALA A 25 10.796 -1.345 4.207 1.00 0.36 C ATOM 346 O ALA A 25 11.434 -0.636 3.431 1.00 0.37 O ATOM 347 CB ALA A 25 10.310 -3.740 3.667 1.00 0.45 C ATOM 0 H ALA A 25 10.294 -3.544 6.182 1.00 0.42 H new ATOM 0 HA ALA A 25 12.231 -2.914 4.106 1.00 0.40 H new ATOM 0 HB1 ALA A 25 10.349 -3.484 2.608 1.00 0.45 H new ATOM 0 HB2 ALA A 25 10.654 -4.765 3.805 1.00 0.45 H new ATOM 0 HB3 ALA A 25 9.284 -3.651 4.024 1.00 0.45 H new ATOM 353 N SER A 26 9.740 -0.910 4.885 1.00 0.36 N ATOM 354 CA SER A 26 9.237 0.450 4.740 1.00 0.37 C ATOM 355 C SER A 26 10.297 1.484 5.109 1.00 0.36 C ATOM 356 O SER A 26 10.445 2.496 4.426 1.00 0.37 O ATOM 357 CB SER A 26 7.991 0.641 5.602 1.00 0.46 C ATOM 358 OG SER A 26 6.998 -0.311 5.266 1.00 1.32 O ATOM 0 H SER A 26 9.213 -1.484 5.544 1.00 0.36 H new ATOM 0 HA SER A 26 8.978 0.601 3.692 1.00 0.37 H new ATOM 0 HB2 SER A 26 8.253 0.544 6.655 1.00 0.46 H new ATOM 0 HB3 SER A 26 7.598 1.648 5.463 1.00 0.46 H new ATOM 0 HG SER A 26 7.258 -1.191 5.611 1.00 1.32 H new ATOM 364 N LYS A 27 11.043 1.223 6.178 1.00 0.39 N ATOM 365 CA LYS A 27 12.087 2.142 6.613 1.00 0.44 C ATOM 366 C LYS A 27 13.149 2.282 5.530 1.00 0.39 C ATOM 367 O LYS A 27 13.700 3.363 5.325 1.00 0.45 O ATOM 368 CB LYS A 27 12.720 1.672 7.927 1.00 0.53 C ATOM 369 CG LYS A 27 13.654 2.702 8.549 1.00 0.90 C ATOM 370 CD LYS A 27 13.623 2.649 10.071 1.00 1.41 C ATOM 371 CE LYS A 27 14.396 1.458 10.618 1.00 1.90 C ATOM 372 NZ LYS A 27 14.691 1.615 12.068 1.00 2.38 N ATOM 0 H LYS A 27 10.945 0.388 6.755 1.00 0.39 H new ATOM 0 HA LYS A 27 11.633 3.117 6.788 1.00 0.44 H new ATOM 0 HB2 LYS A 27 11.929 1.433 8.638 1.00 0.53 H new ATOM 0 HB3 LYS A 27 13.275 0.751 7.746 1.00 0.53 H new ATOM 0 HG2 LYS A 27 14.672 2.527 8.200 1.00 0.90 H new ATOM 0 HG3 LYS A 27 13.369 3.700 8.214 1.00 0.90 H new ATOM 0 HD2 LYS A 27 14.044 3.570 10.474 1.00 1.41 H new ATOM 0 HD3 LYS A 27 12.589 2.596 10.411 1.00 1.41 H new ATOM 0 HE2 LYS A 27 13.820 0.546 10.460 1.00 1.90 H new ATOM 0 HE3 LYS A 27 15.329 1.345 10.066 1.00 1.90 H new ATOM 0 HZ1 LYS A 27 15.219 0.785 12.407 1.00 2.38 H new ATOM 0 HZ2 LYS A 27 15.262 2.472 12.215 1.00 2.38 H new ATOM 0 HZ3 LYS A 27 13.799 1.698 12.597 1.00 2.38 H new ATOM 386 N TRP A 28 13.414 1.191 4.823 1.00 0.36 N ATOM 387 CA TRP A 28 14.396 1.198 3.750 1.00 0.38 C ATOM 388 C TRP A 28 13.834 1.954 2.552 1.00 0.35 C ATOM 389 O TRP A 28 14.538 2.732 1.910 1.00 0.43 O ATOM 390 CB TRP A 28 14.765 -0.234 3.355 1.00 0.42 C ATOM 391 CG TRP A 28 15.885 -0.315 2.363 1.00 0.54 C ATOM 392 CD1 TRP A 28 17.176 0.089 2.549 1.00 0.73 C ATOM 393 CD2 TRP A 28 15.815 -0.831 1.027 1.00 0.62 C ATOM 394 NE1 TRP A 28 17.911 -0.142 1.412 1.00 0.86 N ATOM 395 CE2 TRP A 28 17.100 -0.708 0.466 1.00 0.79 C ATOM 396 CE3 TRP A 28 14.791 -1.385 0.252 1.00 0.70 C ATOM 397 CZ2 TRP A 28 17.388 -1.117 -0.833 1.00 0.94 C ATOM 398 CZ3 TRP A 28 15.080 -1.792 -1.039 1.00 0.89 C ATOM 399 CH2 TRP A 28 16.369 -1.658 -1.569 1.00 0.98 C ATOM 0 H TRP A 28 12.961 0.290 4.975 1.00 0.36 H new ATOM 0 HA TRP A 28 15.301 1.699 4.095 1.00 0.38 H new ATOM 0 HB2 TRP A 28 15.044 -0.788 4.251 1.00 0.42 H new ATOM 0 HB3 TRP A 28 13.886 -0.725 2.938 1.00 0.42 H new ATOM 0 HD1 TRP A 28 17.563 0.526 3.458 1.00 0.73 H new ATOM 0 HE1 TRP A 28 18.901 0.073 1.292 1.00 0.86 H new ATOM 0 HE3 TRP A 28 13.794 -1.493 0.653 1.00 0.70 H new ATOM 0 HZ2 TRP A 28 18.381 -1.011 -1.245 1.00 0.94 H new ATOM 0 HZ3 TRP A 28 14.298 -2.220 -1.648 1.00 0.89 H new ATOM 0 HH2 TRP A 28 16.563 -1.988 -2.579 1.00 0.98 H new ATOM 410 N LEU A 29 12.553 1.733 2.277 1.00 0.32 N ATOM 411 CA LEU A 29 11.878 2.392 1.164 1.00 0.35 C ATOM 412 C LEU A 29 11.848 3.900 1.368 1.00 0.36 C ATOM 413 O LEU A 29 12.013 4.660 0.420 1.00 0.39 O ATOM 414 CB LEU A 29 10.452 1.855 1.006 1.00 0.41 C ATOM 415 CG LEU A 29 10.248 0.841 -0.125 1.00 0.54 C ATOM 416 CD1 LEU A 29 10.637 1.444 -1.469 1.00 1.10 C ATOM 417 CD2 LEU A 29 11.042 -0.430 0.143 1.00 1.30 C ATOM 0 H LEU A 29 11.959 1.100 2.812 1.00 0.32 H new ATOM 0 HA LEU A 29 12.437 2.176 0.254 1.00 0.35 H new ATOM 0 HB2 LEU A 29 10.152 1.390 1.945 1.00 0.41 H new ATOM 0 HB3 LEU A 29 9.782 2.698 0.839 1.00 0.41 H new ATOM 0 HG LEU A 29 9.190 0.582 -0.162 1.00 0.54 H new ATOM 0 HD11 LEU A 29 10.484 0.706 -2.257 1.00 1.10 H new ATOM 0 HD12 LEU A 29 10.019 2.320 -1.667 1.00 1.10 H new ATOM 0 HD13 LEU A 29 11.686 1.738 -1.446 1.00 1.10 H new ATOM 0 HD21 LEU A 29 10.883 -1.137 -0.672 1.00 1.30 H new ATOM 0 HD22 LEU A 29 12.103 -0.189 0.213 1.00 1.30 H new ATOM 0 HD23 LEU A 29 10.709 -0.876 1.080 1.00 1.30 H new ATOM 429 N LEU A 30 11.644 4.325 2.612 1.00 0.38 N ATOM 430 CA LEU A 30 11.609 5.746 2.941 1.00 0.44 C ATOM 431 C LEU A 30 12.962 6.391 2.669 1.00 0.48 C ATOM 432 O LEU A 30 13.048 7.582 2.376 1.00 0.60 O ATOM 433 CB LEU A 30 11.219 5.948 4.404 1.00 0.51 C ATOM 434 CG LEU A 30 9.798 5.509 4.765 1.00 0.72 C ATOM 435 CD1 LEU A 30 9.606 5.515 6.270 1.00 1.06 C ATOM 436 CD2 LEU A 30 8.771 6.415 4.104 1.00 1.00 C ATOM 0 H LEU A 30 11.500 3.705 3.409 1.00 0.38 H new ATOM 0 HA LEU A 30 10.860 6.223 2.309 1.00 0.44 H new ATOM 0 HB2 LEU A 30 11.922 5.399 5.030 1.00 0.51 H new ATOM 0 HB3 LEU A 30 11.330 7.004 4.651 1.00 0.51 H new ATOM 0 HG LEU A 30 9.653 4.493 4.397 1.00 0.72 H new ATOM 0 HD11 LEU A 30 8.590 5.200 6.508 1.00 1.06 H new ATOM 0 HD12 LEU A 30 10.316 4.828 6.730 1.00 1.06 H new ATOM 0 HD13 LEU A 30 9.774 6.521 6.654 1.00 1.06 H new ATOM 0 HD21 LEU A 30 7.768 6.085 4.374 1.00 1.00 H new ATOM 0 HD22 LEU A 30 8.919 7.441 4.442 1.00 1.00 H new ATOM 0 HD23 LEU A 30 8.889 6.370 3.021 1.00 1.00 H new ATOM 448 N LEU A 31 14.017 5.592 2.770 1.00 0.45 N ATOM 449 CA LEU A 31 15.364 6.076 2.512 1.00 0.53 C ATOM 450 C LEU A 31 15.577 6.214 1.010 1.00 0.54 C ATOM 451 O LEU A 31 16.361 7.046 0.553 1.00 0.70 O ATOM 452 CB LEU A 31 16.404 5.116 3.097 1.00 0.58 C ATOM 453 CG LEU A 31 16.301 4.864 4.604 1.00 1.12 C ATOM 454 CD1 LEU A 31 17.247 3.749 5.025 1.00 1.59 C ATOM 455 CD2 LEU A 31 16.604 6.135 5.376 1.00 1.71 C ATOM 0 H LEU A 31 13.964 4.607 3.029 1.00 0.45 H new ATOM 0 HA LEU A 31 15.484 7.048 2.989 1.00 0.53 H new ATOM 0 HB2 LEU A 31 16.320 4.160 2.581 1.00 0.58 H new ATOM 0 HB3 LEU A 31 17.397 5.509 2.880 1.00 0.58 H new ATOM 0 HG LEU A 31 15.281 4.555 4.832 1.00 1.12 H new ATOM 0 HD11 LEU A 31 17.160 3.584 6.099 1.00 1.59 H new ATOM 0 HD12 LEU A 31 16.988 2.832 4.495 1.00 1.59 H new ATOM 0 HD13 LEU A 31 18.272 4.031 4.783 1.00 1.59 H new ATOM 0 HD21 LEU A 31 16.526 5.938 6.445 1.00 1.71 H new ATOM 0 HD22 LEU A 31 17.614 6.471 5.141 1.00 1.71 H new ATOM 0 HD23 LEU A 31 15.890 6.909 5.097 1.00 1.71 H new ATOM 467 N GLN A 32 14.850 5.401 0.253 1.00 0.49 N ATOM 468 CA GLN A 32 14.937 5.406 -1.200 1.00 0.56 C ATOM 469 C GLN A 32 13.815 6.252 -1.792 1.00 0.48 C ATOM 470 O GLN A 32 13.276 5.937 -2.853 1.00 0.53 O ATOM 471 CB GLN A 32 14.849 3.978 -1.751 1.00 0.69 C ATOM 472 CG GLN A 32 15.689 2.963 -0.991 1.00 0.80 C ATOM 473 CD GLN A 32 17.162 3.318 -0.952 1.00 1.09 C ATOM 474 OE1 GLN A 32 17.699 3.912 -1.886 1.00 1.51 O ATOM 475 NE2 GLN A 32 17.819 2.953 0.134 1.00 1.25 N ATOM 0 H GLN A 32 14.187 4.723 0.628 1.00 0.49 H new ATOM 0 HA GLN A 32 15.899 5.834 -1.482 1.00 0.56 H new ATOM 0 HB2 GLN A 32 13.807 3.657 -1.733 1.00 0.69 H new ATOM 0 HB3 GLN A 32 15.163 3.983 -2.795 1.00 0.69 H new ATOM 0 HG2 GLN A 32 15.314 2.882 0.029 1.00 0.80 H new ATOM 0 HG3 GLN A 32 15.570 1.983 -1.453 1.00 0.80 H new ATOM 0 HE21 GLN A 32 17.332 2.462 0.884 1.00 1.25 H new ATOM 0 HE22 GLN A 32 18.813 3.162 0.223 1.00 1.25 H new ATOM 484 N TYR A 33 13.484 7.349 -1.113 1.00 0.47 N ATOM 485 CA TYR A 33 12.425 8.252 -1.562 1.00 0.47 C ATOM 486 C TYR A 33 12.815 8.965 -2.859 1.00 0.46 C ATOM 487 O TYR A 33 12.044 9.754 -3.407 1.00 0.50 O ATOM 488 CB TYR A 33 12.095 9.278 -0.470 1.00 0.57 C ATOM 489 CG TYR A 33 13.152 10.345 -0.275 1.00 0.70 C ATOM 490 CD1 TYR A 33 14.352 10.063 0.369 1.00 1.35 C ATOM 491 CD2 TYR A 33 12.944 11.641 -0.734 1.00 1.41 C ATOM 492 CE1 TYR A 33 15.312 11.039 0.548 1.00 1.55 C ATOM 493 CE2 TYR A 33 13.899 12.622 -0.557 1.00 1.59 C ATOM 494 CZ TYR A 33 15.079 12.317 0.084 1.00 1.27 C ATOM 495 OH TYR A 33 16.033 13.293 0.257 1.00 1.61 O ATOM 0 H TYR A 33 13.937 7.635 -0.245 1.00 0.47 H new ATOM 0 HA TYR A 33 11.538 7.651 -1.761 1.00 0.47 H new ATOM 0 HB2 TYR A 33 11.149 9.761 -0.716 1.00 0.57 H new ATOM 0 HB3 TYR A 33 11.948 8.752 0.473 1.00 0.57 H new ATOM 0 HD1 TYR A 33 14.536 9.064 0.735 1.00 1.35 H new ATOM 0 HD2 TYR A 33 12.020 11.884 -1.237 1.00 1.41 H new ATOM 0 HE1 TYR A 33 16.240 10.803 1.048 1.00 1.55 H new ATOM 0 HE2 TYR A 33 13.722 13.624 -0.919 1.00 1.59 H new ATOM 0 HH TYR A 33 15.713 14.135 -0.128 1.00 1.61 H new ATOM 505 N ARG A 34 14.022 8.687 -3.336 1.00 0.47 N ATOM 506 CA ARG A 34 14.528 9.273 -4.569 1.00 0.53 C ATOM 507 C ARG A 34 14.010 8.481 -5.772 1.00 0.48 C ATOM 508 O ARG A 34 14.171 8.892 -6.923 1.00 0.56 O ATOM 509 CB ARG A 34 16.061 9.274 -4.553 1.00 0.64 C ATOM 510 CG ARG A 34 16.697 10.151 -5.619 1.00 1.12 C ATOM 511 CD ARG A 34 18.206 9.963 -5.660 1.00 1.55 C ATOM 512 NE ARG A 34 18.577 8.569 -5.917 1.00 2.28 N ATOM 513 CZ ARG A 34 19.820 8.159 -6.172 1.00 2.92 C ATOM 514 NH1 ARG A 34 20.826 9.024 -6.164 1.00 2.94 N ATOM 515 NH2 ARG A 34 20.055 6.876 -6.417 1.00 3.97 N ATOM 0 H ARG A 34 14.676 8.051 -2.880 1.00 0.47 H new ATOM 0 HA ARG A 34 14.177 10.302 -4.649 1.00 0.53 H new ATOM 0 HB2 ARG A 34 16.402 9.608 -3.573 1.00 0.64 H new ATOM 0 HB3 ARG A 34 16.415 8.251 -4.682 1.00 0.64 H new ATOM 0 HG2 ARG A 34 16.272 9.910 -6.593 1.00 1.12 H new ATOM 0 HG3 ARG A 34 16.464 11.197 -5.419 1.00 1.12 H new ATOM 0 HD2 ARG A 34 18.630 10.600 -6.436 1.00 1.55 H new ATOM 0 HD3 ARG A 34 18.638 10.285 -4.712 1.00 1.55 H new ATOM 0 HE ARG A 34 17.837 7.867 -5.900 1.00 2.28 H new ATOM 0 HH11 ARG A 34 20.651 10.008 -5.962 1.00 2.94 H new ATOM 0 HH12 ARG A 34 21.775 8.705 -6.360 1.00 2.94 H new ATOM 0 HH21 ARG A 34 19.286 6.206 -6.410 1.00 3.97 H new ATOM 0 HH22 ARG A 34 21.005 6.560 -6.612 1.00 3.97 H new ATOM 529 N ASP A 35 13.381 7.348 -5.487 1.00 0.46 N ATOM 530 CA ASP A 35 12.830 6.481 -6.522 1.00 0.50 C ATOM 531 C ASP A 35 11.394 6.096 -6.182 1.00 0.41 C ATOM 532 O ASP A 35 10.961 4.972 -6.444 1.00 0.38 O ATOM 533 CB ASP A 35 13.683 5.219 -6.673 1.00 0.68 C ATOM 534 CG ASP A 35 14.785 5.382 -7.701 1.00 1.04 C ATOM 535 OD1 ASP A 35 15.872 5.881 -7.340 1.00 1.58 O ATOM 536 OD2 ASP A 35 14.567 5.015 -8.874 1.00 1.70 O ATOM 0 H ASP A 35 13.239 7.005 -4.537 1.00 0.46 H new ATOM 0 HA ASP A 35 12.837 7.027 -7.466 1.00 0.50 H new ATOM 0 HB2 ASP A 35 14.124 4.965 -5.709 1.00 0.68 H new ATOM 0 HB3 ASP A 35 13.043 4.384 -6.960 1.00 0.68 H new ATOM 541 N ALA A 36 10.655 7.049 -5.621 1.00 0.40 N ATOM 542 CA ALA A 36 9.266 6.824 -5.218 1.00 0.37 C ATOM 543 C ALA A 36 8.383 6.360 -6.388 1.00 0.32 C ATOM 544 O ALA A 36 7.701 5.340 -6.271 1.00 0.33 O ATOM 545 CB ALA A 36 8.688 8.074 -4.561 1.00 0.43 C ATOM 0 H ALA A 36 10.996 7.992 -5.433 1.00 0.40 H new ATOM 0 HA ALA A 36 9.271 6.015 -4.488 1.00 0.37 H new ATOM 0 HB1 ALA A 36 7.655 7.887 -4.269 1.00 0.43 H new ATOM 0 HB2 ALA A 36 9.275 8.325 -3.678 1.00 0.43 H new ATOM 0 HB3 ALA A 36 8.720 8.904 -5.267 1.00 0.43 H new ATOM 551 N PRO A 37 8.367 7.075 -7.538 1.00 0.35 N ATOM 552 CA PRO A 37 7.547 6.672 -8.689 1.00 0.37 C ATOM 553 C PRO A 37 7.994 5.338 -9.282 1.00 0.35 C ATOM 554 O PRO A 37 7.195 4.603 -9.859 1.00 0.42 O ATOM 555 CB PRO A 37 7.757 7.800 -9.704 1.00 0.46 C ATOM 556 CG PRO A 37 9.038 8.442 -9.307 1.00 0.50 C ATOM 557 CD PRO A 37 9.107 8.324 -7.814 1.00 0.42 C ATOM 0 HA PRO A 37 6.504 6.528 -8.406 1.00 0.37 H new ATOM 0 HB2 PRO A 37 7.809 7.411 -10.721 1.00 0.46 H new ATOM 0 HB3 PRO A 37 6.933 8.513 -9.677 1.00 0.46 H new ATOM 0 HG2 PRO A 37 9.887 7.946 -9.778 1.00 0.50 H new ATOM 0 HG3 PRO A 37 9.065 9.486 -9.619 1.00 0.50 H new ATOM 0 HD2 PRO A 37 10.137 8.268 -7.462 1.00 0.42 H new ATOM 0 HD3 PRO A 37 8.648 9.181 -7.321 1.00 0.42 H new ATOM 565 N LYS A 38 9.274 5.024 -9.110 1.00 0.34 N ATOM 566 CA LYS A 38 9.846 3.791 -9.632 1.00 0.36 C ATOM 567 C LYS A 38 9.314 2.577 -8.878 1.00 0.34 C ATOM 568 O LYS A 38 9.054 1.536 -9.475 1.00 0.39 O ATOM 569 CB LYS A 38 11.372 3.840 -9.540 1.00 0.41 C ATOM 570 CG LYS A 38 12.072 2.712 -10.283 1.00 0.60 C ATOM 571 CD LYS A 38 12.778 3.213 -11.536 1.00 1.32 C ATOM 572 CE LYS A 38 11.790 3.575 -12.634 1.00 2.00 C ATOM 573 NZ LYS A 38 11.074 2.380 -13.156 1.00 2.78 N ATOM 0 H LYS A 38 9.939 5.613 -8.608 1.00 0.34 H new ATOM 0 HA LYS A 38 9.553 3.696 -10.678 1.00 0.36 H new ATOM 0 HB2 LYS A 38 11.719 4.794 -9.937 1.00 0.41 H new ATOM 0 HB3 LYS A 38 11.664 3.806 -8.490 1.00 0.41 H new ATOM 0 HG2 LYS A 38 12.797 2.237 -9.623 1.00 0.60 H new ATOM 0 HG3 LYS A 38 11.343 1.950 -10.557 1.00 0.60 H new ATOM 0 HD2 LYS A 38 13.382 4.086 -11.288 1.00 1.32 H new ATOM 0 HD3 LYS A 38 13.461 2.445 -11.900 1.00 1.32 H new ATOM 0 HE2 LYS A 38 11.065 4.292 -12.248 1.00 2.00 H new ATOM 0 HE3 LYS A 38 12.319 4.066 -13.451 1.00 2.00 H new ATOM 0 HZ1 LYS A 38 10.048 2.538 -13.100 1.00 2.78 H new ATOM 0 HZ2 LYS A 38 11.346 2.217 -14.147 1.00 2.78 H new ATOM 0 HZ3 LYS A 38 11.327 1.547 -12.586 1.00 2.78 H new ATOM 587 N VAL A 39 9.157 2.704 -7.570 1.00 0.31 N ATOM 588 CA VAL A 39 8.644 1.598 -6.774 1.00 0.31 C ATOM 589 C VAL A 39 7.118 1.596 -6.775 1.00 0.29 C ATOM 590 O VAL A 39 6.492 0.561 -6.553 1.00 0.31 O ATOM 591 CB VAL A 39 9.177 1.620 -5.324 1.00 0.34 C ATOM 592 CG1 VAL A 39 10.674 1.364 -5.310 1.00 0.39 C ATOM 593 CG2 VAL A 39 8.854 2.937 -4.631 1.00 0.33 C ATOM 0 H VAL A 39 9.374 3.549 -7.042 1.00 0.31 H new ATOM 0 HA VAL A 39 9.004 0.680 -7.239 1.00 0.31 H new ATOM 0 HB VAL A 39 8.677 0.825 -4.771 1.00 0.34 H new ATOM 0 HG11 VAL A 39 11.037 1.382 -4.282 1.00 0.39 H new ATOM 0 HG12 VAL A 39 10.880 0.389 -5.750 1.00 0.39 H new ATOM 0 HG13 VAL A 39 11.181 2.137 -5.887 1.00 0.39 H new ATOM 0 HG21 VAL A 39 9.244 2.918 -3.613 1.00 0.33 H new ATOM 0 HG22 VAL A 39 9.313 3.759 -5.180 1.00 0.33 H new ATOM 0 HG23 VAL A 39 7.774 3.078 -4.603 1.00 0.33 H new ATOM 603 N ALA A 40 6.529 2.758 -7.048 1.00 0.27 N ATOM 604 CA ALA A 40 5.077 2.893 -7.094 1.00 0.28 C ATOM 605 C ALA A 40 4.499 2.115 -8.273 1.00 0.28 C ATOM 606 O ALA A 40 3.516 1.385 -8.127 1.00 0.29 O ATOM 607 CB ALA A 40 4.681 4.359 -7.177 1.00 0.32 C ATOM 0 H ALA A 40 7.037 3.621 -7.241 1.00 0.27 H new ATOM 0 HA ALA A 40 4.666 2.475 -6.175 1.00 0.28 H new ATOM 0 HB1 ALA A 40 3.595 4.441 -7.211 1.00 0.32 H new ATOM 0 HB2 ALA A 40 5.058 4.888 -6.302 1.00 0.32 H new ATOM 0 HB3 ALA A 40 5.106 4.800 -8.078 1.00 0.32 H new ATOM 613 N GLU A 41 5.119 2.269 -9.441 1.00 0.31 N ATOM 614 CA GLU A 41 4.672 1.568 -10.641 1.00 0.36 C ATOM 615 C GLU A 41 4.834 0.062 -10.458 1.00 0.35 C ATOM 616 O GLU A 41 3.959 -0.719 -10.832 1.00 0.38 O ATOM 617 CB GLU A 41 5.464 2.037 -11.869 1.00 0.44 C ATOM 618 CG GLU A 41 6.969 2.016 -11.665 1.00 0.52 C ATOM 619 CD GLU A 41 7.747 1.923 -12.960 1.00 0.74 C ATOM 620 OE1 GLU A 41 7.757 0.836 -13.577 1.00 1.40 O ATOM 621 OE2 GLU A 41 8.375 2.925 -13.358 1.00 1.37 O ATOM 0 H GLU A 41 5.930 2.871 -9.581 1.00 0.31 H new ATOM 0 HA GLU A 41 3.618 1.796 -10.802 1.00 0.36 H new ATOM 0 HB2 GLU A 41 5.212 1.402 -12.718 1.00 0.44 H new ATOM 0 HB3 GLU A 41 5.154 3.050 -12.126 1.00 0.44 H new ATOM 0 HG2 GLU A 41 7.269 2.919 -11.133 1.00 0.52 H new ATOM 0 HG3 GLU A 41 7.231 1.170 -11.030 1.00 0.52 H new ATOM 628 N MET A 42 5.948 -0.325 -9.850 1.00 0.35 N ATOM 629 CA MET A 42 6.249 -1.726 -9.607 1.00 0.40 C ATOM 630 C MET A 42 5.235 -2.331 -8.643 1.00 0.35 C ATOM 631 O MET A 42 4.784 -3.462 -8.828 1.00 0.35 O ATOM 632 CB MET A 42 7.665 -1.862 -9.043 1.00 0.51 C ATOM 633 CG MET A 42 8.208 -3.280 -9.089 1.00 1.09 C ATOM 634 SD MET A 42 9.919 -3.390 -8.526 1.00 0.98 S ATOM 635 CE MET A 42 10.744 -2.341 -9.723 1.00 1.51 C ATOM 0 H MET A 42 6.663 0.320 -9.514 1.00 0.35 H new ATOM 0 HA MET A 42 6.189 -2.267 -10.551 1.00 0.40 H new ATOM 0 HB2 MET A 42 8.334 -1.208 -9.603 1.00 0.51 H new ATOM 0 HB3 MET A 42 7.670 -1.514 -8.010 1.00 0.51 H new ATOM 0 HG2 MET A 42 7.584 -3.924 -8.469 1.00 1.09 H new ATOM 0 HG3 MET A 42 8.141 -3.657 -10.109 1.00 1.09 H new ATOM 0 HE1 MET A 42 11.811 -2.565 -9.729 1.00 1.51 H new ATOM 0 HE2 MET A 42 10.329 -2.524 -10.714 1.00 1.51 H new ATOM 0 HE3 MET A 42 10.594 -1.295 -9.455 1.00 1.51 H new ATOM 645 N TRP A 43 4.883 -1.562 -7.618 1.00 0.32 N ATOM 646 CA TRP A 43 3.913 -1.992 -6.620 1.00 0.30 C ATOM 647 C TRP A 43 2.554 -2.233 -7.270 1.00 0.27 C ATOM 648 O TRP A 43 1.939 -3.283 -7.075 1.00 0.28 O ATOM 649 CB TRP A 43 3.796 -0.931 -5.516 1.00 0.30 C ATOM 650 CG TRP A 43 2.778 -1.255 -4.461 1.00 0.30 C ATOM 651 CD1 TRP A 43 2.905 -2.159 -3.445 1.00 0.34 C ATOM 652 CD2 TRP A 43 1.480 -0.666 -4.317 1.00 0.31 C ATOM 653 NE1 TRP A 43 1.764 -2.167 -2.679 1.00 0.37 N ATOM 654 CE2 TRP A 43 0.875 -1.260 -3.194 1.00 0.35 C ATOM 655 CE3 TRP A 43 0.769 0.307 -5.028 1.00 0.34 C ATOM 656 CZ2 TRP A 43 -0.406 -0.915 -2.768 1.00 0.40 C ATOM 657 CZ3 TRP A 43 -0.500 0.648 -4.602 1.00 0.39 C ATOM 658 CH2 TRP A 43 -1.074 0.040 -3.480 1.00 0.41 C ATOM 0 H TRP A 43 5.260 -0.628 -7.457 1.00 0.32 H new ATOM 0 HA TRP A 43 4.253 -2.928 -6.177 1.00 0.30 H new ATOM 0 HB2 TRP A 43 4.769 -0.807 -5.041 1.00 0.30 H new ATOM 0 HB3 TRP A 43 3.540 0.025 -5.972 1.00 0.30 H new ATOM 0 HD1 TRP A 43 3.774 -2.776 -3.270 1.00 0.34 H new ATOM 0 HE1 TRP A 43 1.605 -2.753 -1.860 1.00 0.37 H new ATOM 0 HE3 TRP A 43 1.204 0.783 -5.894 1.00 0.34 H new ATOM 0 HZ2 TRP A 43 -0.855 -1.386 -1.906 1.00 0.40 H new ATOM 0 HZ3 TRP A 43 -1.059 1.397 -5.144 1.00 0.39 H new ATOM 0 HH2 TRP A 43 -2.067 0.332 -3.170 1.00 0.41 H new ATOM 669 N LYS A 44 2.104 -1.258 -8.056 1.00 0.27 N ATOM 670 CA LYS A 44 0.820 -1.351 -8.742 1.00 0.28 C ATOM 671 C LYS A 44 0.767 -2.580 -9.638 1.00 0.30 C ATOM 672 O LYS A 44 -0.163 -3.381 -9.551 1.00 0.31 O ATOM 673 CB LYS A 44 0.561 -0.091 -9.575 1.00 0.32 C ATOM 674 CG LYS A 44 -0.754 -0.127 -10.342 1.00 0.46 C ATOM 675 CD LYS A 44 -0.931 1.100 -11.219 1.00 0.66 C ATOM 676 CE LYS A 44 -0.071 1.024 -12.471 1.00 1.03 C ATOM 677 NZ LYS A 44 -0.691 0.176 -13.526 1.00 1.11 N ATOM 0 H LYS A 44 2.613 -0.392 -8.233 1.00 0.27 H new ATOM 0 HA LYS A 44 0.044 -1.441 -7.982 1.00 0.28 H new ATOM 0 HB2 LYS A 44 0.564 0.777 -8.916 1.00 0.32 H new ATOM 0 HB3 LYS A 44 1.380 0.042 -10.281 1.00 0.32 H new ATOM 0 HG2 LYS A 44 -0.789 -1.024 -10.961 1.00 0.46 H new ATOM 0 HG3 LYS A 44 -1.583 -0.193 -9.638 1.00 0.46 H new ATOM 0 HD2 LYS A 44 -1.979 1.197 -11.502 1.00 0.66 H new ATOM 0 HD3 LYS A 44 -0.670 1.994 -10.652 1.00 0.66 H new ATOM 0 HE2 LYS A 44 0.089 2.029 -12.862 1.00 1.03 H new ATOM 0 HE3 LYS A 44 0.909 0.622 -12.213 1.00 1.03 H new ATOM 0 HZ1 LYS A 44 -0.403 0.522 -14.463 1.00 1.11 H new ATOM 0 HZ2 LYS A 44 -0.377 -0.809 -13.409 1.00 1.11 H new ATOM 0 HZ3 LYS A 44 -1.727 0.221 -13.443 1.00 1.11 H new ATOM 691 N GLU A 45 1.780 -2.733 -10.481 1.00 0.35 N ATOM 692 CA GLU A 45 1.843 -3.859 -11.402 1.00 0.41 C ATOM 693 C GLU A 45 1.885 -5.183 -10.650 1.00 0.40 C ATOM 694 O GLU A 45 1.260 -6.156 -11.072 1.00 0.46 O ATOM 695 CB GLU A 45 3.056 -3.731 -12.322 1.00 0.51 C ATOM 696 CG GLU A 45 2.907 -2.632 -13.360 1.00 0.73 C ATOM 697 CD GLU A 45 1.587 -2.717 -14.100 1.00 1.21 C ATOM 698 OE1 GLU A 45 1.527 -3.406 -15.140 1.00 1.76 O ATOM 699 OE2 GLU A 45 0.600 -2.104 -13.644 1.00 1.96 O ATOM 0 H GLU A 45 2.570 -2.091 -10.546 1.00 0.35 H new ATOM 0 HA GLU A 45 0.939 -3.845 -12.011 1.00 0.41 H new ATOM 0 HB2 GLU A 45 3.942 -3.534 -11.719 1.00 0.51 H new ATOM 0 HB3 GLU A 45 3.221 -4.681 -12.830 1.00 0.51 H new ATOM 0 HG2 GLU A 45 2.986 -1.661 -12.872 1.00 0.73 H new ATOM 0 HG3 GLU A 45 3.727 -2.697 -14.075 1.00 0.73 H new ATOM 706 N TYR A 46 2.609 -5.213 -9.537 1.00 0.39 N ATOM 707 CA TYR A 46 2.720 -6.417 -8.723 1.00 0.42 C ATOM 708 C TYR A 46 1.353 -6.831 -8.184 1.00 0.40 C ATOM 709 O TYR A 46 0.967 -7.995 -8.268 1.00 0.45 O ATOM 710 CB TYR A 46 3.696 -6.186 -7.563 1.00 0.45 C ATOM 711 CG TYR A 46 3.945 -7.409 -6.704 1.00 0.59 C ATOM 712 CD1 TYR A 46 4.700 -8.474 -7.178 1.00 1.39 C ATOM 713 CD2 TYR A 46 3.432 -7.492 -5.414 1.00 1.06 C ATOM 714 CE1 TYR A 46 4.935 -9.586 -6.392 1.00 1.58 C ATOM 715 CE2 TYR A 46 3.662 -8.600 -4.622 1.00 1.12 C ATOM 716 CZ TYR A 46 4.414 -9.645 -5.117 1.00 1.03 C ATOM 717 OH TYR A 46 4.648 -10.754 -4.332 1.00 1.27 O ATOM 0 H TYR A 46 3.130 -4.413 -9.177 1.00 0.39 H new ATOM 0 HA TYR A 46 3.102 -7.221 -9.351 1.00 0.42 H new ATOM 0 HB2 TYR A 46 4.647 -5.841 -7.968 1.00 0.45 H new ATOM 0 HB3 TYR A 46 3.309 -5.386 -6.932 1.00 0.45 H new ATOM 0 HD1 TYR A 46 5.110 -8.432 -8.176 1.00 1.39 H new ATOM 0 HD2 TYR A 46 2.843 -6.675 -5.024 1.00 1.06 H new ATOM 0 HE1 TYR A 46 5.525 -10.406 -6.775 1.00 1.58 H new ATOM 0 HE2 TYR A 46 3.256 -8.648 -3.622 1.00 1.12 H new ATOM 0 HH TYR A 46 5.612 -10.927 -4.288 1.00 1.27 H new ATOM 727 N MET A 47 0.616 -5.865 -7.653 1.00 0.36 N ATOM 728 CA MET A 47 -0.706 -6.124 -7.090 1.00 0.39 C ATOM 729 C MET A 47 -1.705 -6.532 -8.175 1.00 0.37 C ATOM 730 O MET A 47 -2.691 -7.224 -7.901 1.00 0.43 O ATOM 731 CB MET A 47 -1.213 -4.884 -6.352 1.00 0.42 C ATOM 732 CG MET A 47 -0.327 -4.460 -5.191 1.00 0.57 C ATOM 733 SD MET A 47 -0.557 -5.483 -3.724 1.00 0.70 S ATOM 734 CE MET A 47 -2.125 -4.865 -3.125 1.00 0.37 C ATOM 0 H MET A 47 0.911 -4.890 -7.599 1.00 0.36 H new ATOM 0 HA MET A 47 -0.615 -6.952 -6.387 1.00 0.39 H new ATOM 0 HB2 MET A 47 -1.291 -4.058 -7.059 1.00 0.42 H new ATOM 0 HB3 MET A 47 -2.218 -5.080 -5.978 1.00 0.42 H new ATOM 0 HG2 MET A 47 0.717 -4.507 -5.501 1.00 0.57 H new ATOM 0 HG3 MET A 47 -0.538 -3.421 -4.940 1.00 0.57 H new ATOM 0 HE1 MET A 47 -2.641 -5.653 -2.576 1.00 0.37 H new ATOM 0 HE2 MET A 47 -1.953 -4.015 -2.465 1.00 0.37 H new ATOM 0 HE3 MET A 47 -2.738 -4.550 -3.969 1.00 0.37 H new ATOM 744 N LEU A 48 -1.443 -6.110 -9.409 1.00 0.37 N ATOM 745 CA LEU A 48 -2.320 -6.432 -10.531 1.00 0.41 C ATOM 746 C LEU A 48 -1.846 -7.688 -11.264 1.00 0.46 C ATOM 747 O LEU A 48 -2.302 -7.978 -12.372 1.00 0.59 O ATOM 748 CB LEU A 48 -2.393 -5.256 -11.511 1.00 0.45 C ATOM 749 CG LEU A 48 -2.875 -3.930 -10.915 1.00 0.57 C ATOM 750 CD1 LEU A 48 -2.899 -2.846 -11.981 1.00 0.63 C ATOM 751 CD2 LEU A 48 -4.253 -4.086 -10.284 1.00 0.88 C ATOM 0 H LEU A 48 -0.631 -5.545 -9.657 1.00 0.37 H new ATOM 0 HA LEU A 48 -3.314 -6.624 -10.128 1.00 0.41 H new ATOM 0 HB2 LEU A 48 -1.403 -5.102 -11.941 1.00 0.45 H new ATOM 0 HB3 LEU A 48 -3.058 -5.529 -12.330 1.00 0.45 H new ATOM 0 HG LEU A 48 -2.175 -3.635 -10.133 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -3.244 -1.910 -11.541 1.00 0.63 H new ATOM 0 HD12 LEU A 48 -1.895 -2.709 -12.384 1.00 0.63 H new ATOM 0 HD13 LEU A 48 -3.575 -3.140 -12.784 1.00 0.63 H new ATOM 0 HD21 LEU A 48 -4.573 -3.131 -9.868 1.00 0.88 H new ATOM 0 HD22 LEU A 48 -4.966 -4.408 -11.043 1.00 0.88 H new ATOM 0 HD23 LEU A 48 -4.207 -4.831 -9.489 1.00 0.88 H new ATOM 763 N ARG A 49 -0.923 -8.422 -10.656 1.00 0.46 N ATOM 764 CA ARG A 49 -0.410 -9.647 -11.258 1.00 0.53 C ATOM 765 C ARG A 49 -1.145 -10.862 -10.697 1.00 0.54 C ATOM 766 O ARG A 49 -1.330 -10.977 -9.486 1.00 0.49 O ATOM 767 CB ARG A 49 1.098 -9.776 -11.023 1.00 0.60 C ATOM 768 CG ARG A 49 1.926 -8.972 -12.011 1.00 0.74 C ATOM 769 CD ARG A 49 3.356 -8.781 -11.530 1.00 1.01 C ATOM 770 NE ARG A 49 4.269 -9.785 -12.078 1.00 1.38 N ATOM 771 CZ ARG A 49 5.145 -9.549 -13.060 1.00 1.90 C ATOM 772 NH1 ARG A 49 5.215 -8.351 -13.633 1.00 2.19 N ATOM 773 NH2 ARG A 49 5.949 -10.520 -13.474 1.00 2.69 N ATOM 0 H ARG A 49 -0.515 -8.192 -9.750 1.00 0.46 H new ATOM 0 HA ARG A 49 -0.584 -9.601 -12.333 1.00 0.53 H new ATOM 0 HB2 ARG A 49 1.331 -9.447 -10.010 1.00 0.60 H new ATOM 0 HB3 ARG A 49 1.382 -10.826 -11.090 1.00 0.60 H new ATOM 0 HG2 ARG A 49 1.932 -9.479 -12.976 1.00 0.74 H new ATOM 0 HG3 ARG A 49 1.462 -7.998 -12.165 1.00 0.74 H new ATOM 0 HD2 ARG A 49 3.702 -7.787 -11.813 1.00 1.01 H new ATOM 0 HD3 ARG A 49 3.379 -8.829 -10.441 1.00 1.01 H new ATOM 0 HE ARG A 49 4.235 -10.726 -11.685 1.00 1.38 H new ATOM 0 HH11 ARG A 49 4.597 -7.601 -13.324 1.00 2.19 H new ATOM 0 HH12 ARG A 49 5.887 -8.182 -14.381 1.00 2.19 H new ATOM 0 HH21 ARG A 49 5.898 -11.443 -13.043 1.00 2.69 H new ATOM 0 HH22 ARG A 49 6.618 -10.343 -14.223 1.00 2.69 H new ATOM 787 N PRO A 50 -1.574 -11.782 -11.573 1.00 0.65 N ATOM 788 CA PRO A 50 -2.310 -12.990 -11.168 1.00 0.71 C ATOM 789 C PRO A 50 -1.443 -14.005 -10.421 1.00 0.73 C ATOM 790 O PRO A 50 -1.958 -14.908 -9.762 1.00 0.78 O ATOM 791 CB PRO A 50 -2.794 -13.572 -12.497 1.00 0.89 C ATOM 792 CG PRO A 50 -1.829 -13.064 -13.513 1.00 0.94 C ATOM 793 CD PRO A 50 -1.391 -11.709 -13.035 1.00 0.77 C ATOM 0 HA PRO A 50 -3.111 -12.752 -10.468 1.00 0.71 H new ATOM 0 HB2 PRO A 50 -2.803 -14.662 -12.471 1.00 0.89 H new ATOM 0 HB3 PRO A 50 -3.811 -13.250 -12.722 1.00 0.89 H new ATOM 0 HG2 PRO A 50 -0.977 -13.736 -13.611 1.00 0.94 H new ATOM 0 HG3 PRO A 50 -2.297 -12.998 -14.495 1.00 0.94 H new ATOM 0 HD2 PRO A 50 -0.353 -11.506 -13.300 1.00 0.77 H new ATOM 0 HD3 PRO A 50 -1.993 -10.914 -13.475 1.00 0.77 H new ATOM 801 N SER A 51 -0.127 -13.848 -10.514 1.00 0.75 N ATOM 802 CA SER A 51 0.801 -14.752 -9.846 1.00 0.84 C ATOM 803 C SER A 51 0.991 -14.356 -8.381 1.00 0.76 C ATOM 804 O SER A 51 1.878 -14.865 -7.696 1.00 0.90 O ATOM 805 CB SER A 51 2.144 -14.737 -10.569 1.00 0.96 C ATOM 806 OG SER A 51 2.073 -13.950 -11.747 1.00 1.33 O ATOM 0 H SER A 51 0.321 -13.102 -11.046 1.00 0.75 H new ATOM 0 HA SER A 51 0.384 -15.759 -9.875 1.00 0.84 H new ATOM 0 HB2 SER A 51 2.914 -14.340 -9.907 1.00 0.96 H new ATOM 0 HB3 SER A 51 2.436 -15.756 -10.824 1.00 0.96 H new ATOM 0 HG SER A 51 2.213 -13.007 -11.519 1.00 1.33 H new ATOM 812 N VAL A 52 0.155 -13.440 -7.915 1.00 0.59 N ATOM 813 CA VAL A 52 0.221 -12.966 -6.543 1.00 0.56 C ATOM 814 C VAL A 52 -0.989 -13.453 -5.750 1.00 0.50 C ATOM 815 O VAL A 52 -2.135 -13.192 -6.125 1.00 0.51 O ATOM 816 CB VAL A 52 0.296 -11.425 -6.492 1.00 0.52 C ATOM 817 CG1 VAL A 52 0.478 -10.931 -5.067 1.00 0.58 C ATOM 818 CG2 VAL A 52 1.423 -10.923 -7.380 1.00 0.57 C ATOM 0 H VAL A 52 -0.582 -13.008 -8.473 1.00 0.59 H new ATOM 0 HA VAL A 52 1.127 -13.371 -6.093 1.00 0.56 H new ATOM 0 HB VAL A 52 -0.648 -11.027 -6.865 1.00 0.52 H new ATOM 0 HG11 VAL A 52 0.527 -9.842 -5.063 1.00 0.58 H new ATOM 0 HG12 VAL A 52 -0.365 -11.258 -4.458 1.00 0.58 H new ATOM 0 HG13 VAL A 52 1.402 -11.338 -4.656 1.00 0.58 H new ATOM 0 HG21 VAL A 52 1.465 -9.835 -7.335 1.00 0.57 H new ATOM 0 HG22 VAL A 52 2.370 -11.337 -7.035 1.00 0.57 H new ATOM 0 HG23 VAL A 52 1.243 -11.237 -8.408 1.00 0.57 H new ATOM 828 N ASN A 53 -0.723 -14.176 -4.671 1.00 0.51 N ATOM 829 CA ASN A 53 -1.772 -14.714 -3.810 1.00 0.52 C ATOM 830 C ASN A 53 -2.486 -13.593 -3.053 1.00 0.48 C ATOM 831 O ASN A 53 -1.922 -12.517 -2.852 1.00 0.47 O ATOM 832 CB ASN A 53 -1.163 -15.719 -2.824 1.00 0.61 C ATOM 833 CG ASN A 53 -2.188 -16.345 -1.899 1.00 1.09 C ATOM 834 OD1 ASN A 53 -2.422 -15.858 -0.792 1.00 1.80 O ATOM 835 ND2 ASN A 53 -2.813 -17.423 -2.346 1.00 1.64 N ATOM 0 H ASN A 53 0.223 -14.407 -4.367 1.00 0.51 H new ATOM 0 HA ASN A 53 -2.509 -15.221 -4.433 1.00 0.52 H new ATOM 0 HB2 ASN A 53 -0.659 -16.507 -3.383 1.00 0.61 H new ATOM 0 HB3 ASN A 53 -0.403 -15.216 -2.226 1.00 0.61 H new ATOM 0 HD21 ASN A 53 -3.517 -17.881 -1.767 1.00 1.64 H new ATOM 0 HD22 ASN A 53 -2.590 -17.796 -3.269 1.00 1.64 H new ATOM 842 N THR A 54 -3.720 -13.854 -2.633 1.00 0.48 N ATOM 843 CA THR A 54 -4.521 -12.882 -1.901 1.00 0.49 C ATOM 844 C THR A 54 -3.794 -12.373 -0.653 1.00 0.47 C ATOM 845 O THR A 54 -3.809 -11.177 -0.356 1.00 0.47 O ATOM 846 CB THR A 54 -5.860 -13.510 -1.489 1.00 0.57 C ATOM 847 OG1 THR A 54 -6.053 -14.735 -2.213 1.00 0.75 O ATOM 848 CG2 THR A 54 -7.011 -12.555 -1.765 1.00 0.81 C ATOM 0 H THR A 54 -4.191 -14.745 -2.791 1.00 0.48 H new ATOM 0 HA THR A 54 -4.695 -12.034 -2.563 1.00 0.49 H new ATOM 0 HB THR A 54 -5.839 -13.716 -0.419 1.00 0.57 H new ATOM 0 HG1 THR A 54 -6.906 -15.139 -1.951 1.00 0.75 H new ATOM 0 HG21 THR A 54 -7.950 -13.021 -1.465 1.00 0.81 H new ATOM 0 HG22 THR A 54 -6.865 -11.636 -1.198 1.00 0.81 H new ATOM 0 HG23 THR A 54 -7.044 -12.323 -2.830 1.00 0.81 H new ATOM 856 N ARG A 55 -3.141 -13.284 0.065 1.00 0.50 N ATOM 857 CA ARG A 55 -2.406 -12.922 1.272 1.00 0.54 C ATOM 858 C ARG A 55 -1.179 -12.088 0.920 1.00 0.49 C ATOM 859 O ARG A 55 -0.752 -11.239 1.698 1.00 0.50 O ATOM 860 CB ARG A 55 -1.996 -14.174 2.052 1.00 0.65 C ATOM 861 CG ARG A 55 -2.983 -14.562 3.147 1.00 0.94 C ATOM 862 CD ARG A 55 -2.773 -13.734 4.407 1.00 1.52 C ATOM 863 NE ARG A 55 -1.543 -14.107 5.104 1.00 2.10 N ATOM 864 CZ ARG A 55 -1.050 -13.459 6.159 1.00 2.74 C ATOM 865 NH1 ARG A 55 -1.706 -12.428 6.680 1.00 3.00 N ATOM 866 NH2 ARG A 55 0.087 -13.866 6.708 1.00 3.58 N ATOM 0 H ARG A 55 -3.106 -14.276 -0.168 1.00 0.50 H new ATOM 0 HA ARG A 55 -3.062 -12.324 1.905 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -1.892 -15.007 1.357 1.00 0.65 H new ATOM 0 HB3 ARG A 55 -1.016 -14.008 2.500 1.00 0.65 H new ATOM 0 HG2 ARG A 55 -4.002 -14.424 2.785 1.00 0.94 H new ATOM 0 HG3 ARG A 55 -2.869 -15.620 3.383 1.00 0.94 H new ATOM 0 HD2 ARG A 55 -2.736 -12.677 4.145 1.00 1.52 H new ATOM 0 HD3 ARG A 55 -3.624 -13.867 5.075 1.00 1.52 H new ATOM 0 HE ARG A 55 -1.028 -14.917 4.760 1.00 2.10 H new ATOM 0 HH11 ARG A 55 -2.592 -12.129 6.273 1.00 3.00 H new ATOM 0 HH12 ARG A 55 -1.324 -11.936 7.488 1.00 3.00 H new ATOM 0 HH21 ARG A 55 0.580 -14.672 6.322 1.00 3.58 H new ATOM 0 HH22 ARG A 55 0.468 -13.373 7.516 1.00 3.58 H new ATOM 880 N ARG A 56 -0.630 -12.324 -0.265 1.00 0.49 N ATOM 881 CA ARG A 56 0.534 -11.583 -0.725 1.00 0.48 C ATOM 882 C ARG A 56 0.132 -10.149 -1.049 1.00 0.43 C ATOM 883 O ARG A 56 0.869 -9.207 -0.762 1.00 0.46 O ATOM 884 CB ARG A 56 1.152 -12.259 -1.951 1.00 0.53 C ATOM 885 CG ARG A 56 1.834 -13.582 -1.648 1.00 0.67 C ATOM 886 CD ARG A 56 3.343 -13.424 -1.527 1.00 0.84 C ATOM 887 NE ARG A 56 3.965 -13.111 -2.816 1.00 1.55 N ATOM 888 CZ ARG A 56 4.546 -14.014 -3.606 1.00 2.18 C ATOM 889 NH1 ARG A 56 4.617 -15.287 -3.238 1.00 2.58 N ATOM 890 NH2 ARG A 56 5.064 -13.638 -4.767 1.00 3.05 N ATOM 0 H ARG A 56 -0.973 -13.023 -0.924 1.00 0.49 H new ATOM 0 HA ARG A 56 1.283 -11.571 0.067 1.00 0.48 H new ATOM 0 HB2 ARG A 56 0.372 -12.426 -2.693 1.00 0.53 H new ATOM 0 HB3 ARG A 56 1.879 -11.581 -2.399 1.00 0.53 H new ATOM 0 HG2 ARG A 56 1.436 -13.992 -0.720 1.00 0.67 H new ATOM 0 HG3 ARG A 56 1.605 -14.298 -2.437 1.00 0.67 H new ATOM 0 HD2 ARG A 56 3.569 -12.632 -0.813 1.00 0.84 H new ATOM 0 HD3 ARG A 56 3.774 -14.343 -1.130 1.00 0.84 H new ATOM 0 HE ARG A 56 3.953 -12.140 -3.129 1.00 1.55 H new ATOM 0 HH11 ARG A 56 4.225 -15.582 -2.344 1.00 2.58 H new ATOM 0 HH12 ARG A 56 5.064 -15.970 -3.849 1.00 2.58 H new ATOM 0 HH21 ARG A 56 5.017 -12.660 -5.054 1.00 3.05 H new ATOM 0 HH22 ARG A 56 5.509 -14.327 -5.374 1.00 3.05 H new ATOM 904 N LYS A 57 -1.052 -9.991 -1.634 1.00 0.38 N ATOM 905 CA LYS A 57 -1.563 -8.667 -1.971 1.00 0.36 C ATOM 906 C LYS A 57 -1.856 -7.896 -0.688 1.00 0.35 C ATOM 907 O LYS A 57 -1.668 -6.683 -0.616 1.00 0.36 O ATOM 908 CB LYS A 57 -2.830 -8.768 -2.828 1.00 0.37 C ATOM 909 CG LYS A 57 -2.625 -9.514 -4.138 1.00 0.39 C ATOM 910 CD LYS A 57 -3.769 -9.275 -5.115 1.00 0.59 C ATOM 911 CE LYS A 57 -3.593 -10.096 -6.384 1.00 0.50 C ATOM 912 NZ LYS A 57 -4.417 -9.578 -7.511 1.00 0.46 N ATOM 0 H LYS A 57 -1.673 -10.761 -1.884 1.00 0.38 H new ATOM 0 HA LYS A 57 -0.807 -8.138 -2.551 1.00 0.36 H new ATOM 0 HB2 LYS A 57 -3.608 -9.270 -2.253 1.00 0.37 H new ATOM 0 HB3 LYS A 57 -3.192 -7.763 -3.045 1.00 0.37 H new ATOM 0 HG2 LYS A 57 -1.687 -9.196 -4.593 1.00 0.39 H new ATOM 0 HG3 LYS A 57 -2.536 -10.582 -3.937 1.00 0.39 H new ATOM 0 HD2 LYS A 57 -4.715 -9.534 -4.640 1.00 0.59 H new ATOM 0 HD3 LYS A 57 -3.818 -8.216 -5.368 1.00 0.59 H new ATOM 0 HE2 LYS A 57 -2.542 -10.092 -6.674 1.00 0.50 H new ATOM 0 HE3 LYS A 57 -3.865 -11.132 -6.184 1.00 0.50 H new ATOM 0 HZ1 LYS A 57 -4.652 -10.359 -8.157 1.00 0.46 H new ATOM 0 HZ2 LYS A 57 -5.294 -9.162 -7.137 1.00 0.46 H new ATOM 0 HZ3 LYS A 57 -3.881 -8.851 -8.027 1.00 0.46 H new ATOM 926 N LEU A 58 -2.306 -8.624 0.329 1.00 0.36 N ATOM 927 CA LEU A 58 -2.610 -8.030 1.626 1.00 0.37 C ATOM 928 C LEU A 58 -1.340 -7.447 2.242 1.00 0.37 C ATOM 929 O LEU A 58 -1.367 -6.386 2.866 1.00 0.38 O ATOM 930 CB LEU A 58 -3.216 -9.082 2.558 1.00 0.42 C ATOM 931 CG LEU A 58 -3.790 -8.543 3.867 1.00 0.77 C ATOM 932 CD1 LEU A 58 -5.095 -7.805 3.616 1.00 1.26 C ATOM 933 CD2 LEU A 58 -3.996 -9.680 4.855 1.00 1.15 C ATOM 0 H LEU A 58 -2.469 -9.630 0.279 1.00 0.36 H new ATOM 0 HA LEU A 58 -3.335 -7.228 1.487 1.00 0.37 H new ATOM 0 HB2 LEU A 58 -4.008 -9.605 2.022 1.00 0.42 H new ATOM 0 HB3 LEU A 58 -2.449 -9.820 2.794 1.00 0.42 H new ATOM 0 HG LEU A 58 -3.079 -7.836 4.295 1.00 0.77 H new ATOM 0 HD11 LEU A 58 -5.488 -7.429 4.561 1.00 1.26 H new ATOM 0 HD12 LEU A 58 -4.916 -6.970 2.939 1.00 1.26 H new ATOM 0 HD13 LEU A 58 -5.818 -8.487 3.168 1.00 1.26 H new ATOM 0 HD21 LEU A 58 -4.405 -9.285 5.785 1.00 1.15 H new ATOM 0 HD22 LEU A 58 -4.690 -10.407 4.433 1.00 1.15 H new ATOM 0 HD23 LEU A 58 -3.041 -10.164 5.057 1.00 1.15 H new ATOM 945 N LEU A 59 -0.228 -8.152 2.047 1.00 0.38 N ATOM 946 CA LEU A 59 1.066 -7.715 2.559 1.00 0.40 C ATOM 947 C LEU A 59 1.500 -6.436 1.855 1.00 0.37 C ATOM 948 O LEU A 59 2.027 -5.514 2.483 1.00 0.38 O ATOM 949 CB LEU A 59 2.114 -8.814 2.358 1.00 0.45 C ATOM 950 CG LEU A 59 2.351 -9.742 3.557 1.00 0.63 C ATOM 951 CD1 LEU A 59 1.037 -10.150 4.211 1.00 1.54 C ATOM 952 CD2 LEU A 59 3.127 -10.972 3.117 1.00 1.21 C ATOM 0 H LEU A 59 -0.199 -9.034 1.535 1.00 0.38 H new ATOM 0 HA LEU A 59 0.973 -7.515 3.626 1.00 0.40 H new ATOM 0 HB2 LEU A 59 1.814 -9.423 1.505 1.00 0.45 H new ATOM 0 HB3 LEU A 59 3.061 -8.342 2.096 1.00 0.45 H new ATOM 0 HG LEU A 59 2.936 -9.196 4.298 1.00 0.63 H new ATOM 0 HD11 LEU A 59 1.240 -10.807 5.057 1.00 1.54 H new ATOM 0 HD12 LEU A 59 0.513 -9.260 4.560 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.417 -10.675 3.485 1.00 1.54 H new ATOM 0 HD21 LEU A 59 3.291 -11.625 3.974 1.00 1.21 H new ATOM 0 HD22 LEU A 59 2.559 -11.508 2.356 1.00 1.21 H new ATOM 0 HD23 LEU A 59 4.089 -10.667 2.704 1.00 1.21 H new ATOM 964 N GLY A 60 1.261 -6.382 0.547 1.00 0.37 N ATOM 965 CA GLY A 60 1.613 -5.205 -0.228 1.00 0.37 C ATOM 966 C GLY A 60 0.813 -3.996 0.203 1.00 0.35 C ATOM 967 O GLY A 60 1.306 -2.866 0.169 1.00 0.36 O ATOM 0 H GLY A 60 0.829 -7.134 0.010 1.00 0.37 H new ATOM 0 HA2 GLY A 60 2.677 -4.998 -0.113 1.00 0.37 H new ATOM 0 HA3 GLY A 60 1.438 -5.400 -1.286 1.00 0.37 H new ATOM 971 N LEU A 61 -0.428 -4.240 0.604 1.00 0.35 N ATOM 972 CA LEU A 61 -1.313 -3.184 1.074 1.00 0.36 C ATOM 973 C LEU A 61 -0.764 -2.604 2.371 1.00 0.35 C ATOM 974 O LEU A 61 -0.717 -1.387 2.559 1.00 0.36 O ATOM 975 CB LEU A 61 -2.718 -3.751 1.314 1.00 0.40 C ATOM 976 CG LEU A 61 -3.894 -2.829 0.967 1.00 0.52 C ATOM 977 CD1 LEU A 61 -5.209 -3.552 1.214 1.00 1.23 C ATOM 978 CD2 LEU A 61 -3.840 -1.540 1.776 1.00 1.10 C ATOM 0 H LEU A 61 -0.847 -5.170 0.613 1.00 0.35 H new ATOM 0 HA LEU A 61 -1.371 -2.398 0.321 1.00 0.36 H new ATOM 0 HB2 LEU A 61 -2.820 -4.668 0.734 1.00 0.40 H new ATOM 0 HB3 LEU A 61 -2.800 -4.028 2.365 1.00 0.40 H new ATOM 0 HG LEU A 61 -3.822 -2.565 -0.088 1.00 0.52 H new ATOM 0 HD11 LEU A 61 -6.040 -2.891 0.966 1.00 1.23 H new ATOM 0 HD12 LEU A 61 -5.256 -4.445 0.590 1.00 1.23 H new ATOM 0 HD13 LEU A 61 -5.275 -3.839 2.264 1.00 1.23 H new ATOM 0 HD21 LEU A 61 -4.686 -0.907 1.508 1.00 1.10 H new ATOM 0 HD22 LEU A 61 -3.885 -1.776 2.839 1.00 1.10 H new ATOM 0 HD23 LEU A 61 -2.910 -1.014 1.560 1.00 1.10 H new ATOM 990 N TYR A 62 -0.334 -3.496 3.253 1.00 0.36 N ATOM 991 CA TYR A 62 0.220 -3.109 4.542 1.00 0.37 C ATOM 992 C TYR A 62 1.476 -2.266 4.362 1.00 0.34 C ATOM 993 O TYR A 62 1.693 -1.292 5.086 1.00 0.35 O ATOM 994 CB TYR A 62 0.534 -4.354 5.371 1.00 0.44 C ATOM 995 CG TYR A 62 -0.695 -5.113 5.837 1.00 0.53 C ATOM 996 CD1 TYR A 62 -1.961 -4.530 5.810 1.00 1.30 C ATOM 997 CD2 TYR A 62 -0.583 -6.411 6.321 1.00 1.23 C ATOM 998 CE1 TYR A 62 -3.073 -5.220 6.248 1.00 1.38 C ATOM 999 CE2 TYR A 62 -1.693 -7.103 6.764 1.00 1.35 C ATOM 1000 CZ TYR A 62 -2.933 -6.503 6.725 1.00 0.89 C ATOM 1001 OH TYR A 62 -4.040 -7.186 7.172 1.00 1.10 O ATOM 0 H TYR A 62 -0.359 -4.503 3.096 1.00 0.36 H new ATOM 0 HA TYR A 62 -0.521 -2.507 5.069 1.00 0.37 H new ATOM 0 HB2 TYR A 62 1.159 -5.023 4.780 1.00 0.44 H new ATOM 0 HB3 TYR A 62 1.118 -4.059 6.243 1.00 0.44 H new ATOM 0 HD1 TYR A 62 -2.073 -3.522 5.440 1.00 1.30 H new ATOM 0 HD2 TYR A 62 0.387 -6.886 6.351 1.00 1.23 H new ATOM 0 HE1 TYR A 62 -4.048 -4.756 6.217 1.00 1.38 H new ATOM 0 HE2 TYR A 62 -1.590 -8.110 7.139 1.00 1.35 H new ATOM 0 HH TYR A 62 -3.773 -8.079 7.475 1.00 1.10 H new ATOM 1011 N LEU A 63 2.292 -2.642 3.386 1.00 0.33 N ATOM 1012 CA LEU A 63 3.523 -1.920 3.098 1.00 0.34 C ATOM 1013 C LEU A 63 3.211 -0.497 2.645 1.00 0.32 C ATOM 1014 O LEU A 63 3.876 0.457 3.055 1.00 0.35 O ATOM 1015 CB LEU A 63 4.329 -2.648 2.020 1.00 0.36 C ATOM 1016 CG LEU A 63 5.723 -2.074 1.760 1.00 0.52 C ATOM 1017 CD1 LEU A 63 6.676 -2.446 2.886 1.00 1.21 C ATOM 1018 CD2 LEU A 63 6.257 -2.557 0.423 1.00 1.45 C ATOM 0 H LEU A 63 2.123 -3.445 2.780 1.00 0.33 H new ATOM 0 HA LEU A 63 4.117 -1.876 4.011 1.00 0.34 H new ATOM 0 HB2 LEU A 63 4.431 -3.694 2.308 1.00 0.36 H new ATOM 0 HB3 LEU A 63 3.764 -2.627 1.088 1.00 0.36 H new ATOM 0 HG LEU A 63 5.646 -0.987 1.726 1.00 0.52 H new ATOM 0 HD11 LEU A 63 7.662 -2.028 2.681 1.00 1.21 H new ATOM 0 HD12 LEU A 63 6.300 -2.046 3.828 1.00 1.21 H new ATOM 0 HD13 LEU A 63 6.750 -3.531 2.957 1.00 1.21 H new ATOM 0 HD21 LEU A 63 7.249 -2.139 0.255 1.00 1.45 H new ATOM 0 HD22 LEU A 63 6.318 -3.645 0.427 1.00 1.45 H new ATOM 0 HD23 LEU A 63 5.587 -2.234 -0.374 1.00 1.45 H new ATOM 1030 N MET A 64 2.182 -0.365 1.814 1.00 0.31 N ATOM 1031 CA MET A 64 1.766 0.935 1.298 1.00 0.34 C ATOM 1032 C MET A 64 1.309 1.844 2.433 1.00 0.32 C ATOM 1033 O MET A 64 1.789 2.969 2.562 1.00 0.33 O ATOM 1034 CB MET A 64 0.644 0.769 0.270 1.00 0.38 C ATOM 1035 CG MET A 64 0.266 2.057 -0.454 1.00 0.61 C ATOM 1036 SD MET A 64 -1.020 3.004 0.390 1.00 0.47 S ATOM 1037 CE MET A 64 -2.443 1.940 0.160 1.00 0.50 C ATOM 0 H MET A 64 1.618 -1.147 1.482 1.00 0.31 H new ATOM 0 HA MET A 64 2.623 1.397 0.809 1.00 0.34 H new ATOM 0 HB2 MET A 64 0.949 0.027 -0.468 1.00 0.38 H new ATOM 0 HB3 MET A 64 -0.239 0.375 0.773 1.00 0.38 H new ATOM 0 HG2 MET A 64 1.154 2.679 -0.560 1.00 0.61 H new ATOM 0 HG3 MET A 64 -0.074 1.813 -1.460 1.00 0.61 H new ATOM 0 HE1 MET A 64 -3.352 2.541 0.173 1.00 0.50 H new ATOM 0 HE2 MET A 64 -2.362 1.426 -0.798 1.00 0.50 H new ATOM 0 HE3 MET A 64 -2.482 1.205 0.964 1.00 0.50 H new ATOM 1047 N ASN A 65 0.399 1.338 3.266 1.00 0.34 N ATOM 1048 CA ASN A 65 -0.129 2.102 4.399 1.00 0.36 C ATOM 1049 C ASN A 65 0.999 2.579 5.307 1.00 0.35 C ATOM 1050 O ASN A 65 0.949 3.679 5.858 1.00 0.41 O ATOM 1051 CB ASN A 65 -1.119 1.251 5.204 1.00 0.42 C ATOM 1052 CG ASN A 65 -1.641 1.965 6.444 1.00 1.06 C ATOM 1053 OD1 ASN A 65 -2.540 2.799 6.363 1.00 1.56 O ATOM 1054 ND2 ASN A 65 -1.089 1.637 7.604 1.00 1.69 N ATOM 0 H ASN A 65 0.010 0.399 3.178 1.00 0.34 H new ATOM 0 HA ASN A 65 -0.649 2.974 4.003 1.00 0.36 H new ATOM 0 HB2 ASN A 65 -1.960 0.980 4.566 1.00 0.42 H new ATOM 0 HB3 ASN A 65 -0.633 0.322 5.503 1.00 0.42 H new ATOM 0 HD21 ASN A 65 -1.409 2.081 8.465 1.00 1.69 H new ATOM 0 HD22 ASN A 65 -0.345 0.940 7.636 1.00 1.69 H new ATOM 1061 N HIS A 66 2.021 1.750 5.436 1.00 0.34 N ATOM 1062 CA HIS A 66 3.166 2.061 6.273 1.00 0.37 C ATOM 1063 C HIS A 66 3.993 3.210 5.695 1.00 0.36 C ATOM 1064 O HIS A 66 4.161 4.247 6.341 1.00 0.40 O ATOM 1065 CB HIS A 66 4.042 0.818 6.421 1.00 0.44 C ATOM 1066 CG HIS A 66 4.933 0.833 7.623 1.00 0.61 C ATOM 1067 ND1 HIS A 66 5.809 1.863 7.864 1.00 1.54 N ATOM 1068 CD2 HIS A 66 5.046 -0.083 8.608 1.00 1.09 C ATOM 1069 CE1 HIS A 66 6.434 1.550 8.985 1.00 1.46 C ATOM 1070 NE2 HIS A 66 6.001 0.381 9.472 1.00 1.04 N ATOM 0 H HIS A 66 2.080 0.847 4.966 1.00 0.34 H new ATOM 0 HA HIS A 66 2.796 2.375 7.249 1.00 0.37 H new ATOM 0 HB2 HIS A 66 3.400 -0.061 6.470 1.00 0.44 H new ATOM 0 HB3 HIS A 66 4.658 0.713 5.528 1.00 0.44 H new ATOM 0 HD2 HIS A 66 4.490 -1.005 8.697 1.00 1.09 H new ATOM 0 HE1 HIS A 66 7.196 2.159 9.449 1.00 1.46 H new ATOM 0 HE2 HIS A 66 6.322 -0.077 10.325 1.00 1.04 H new ATOM 1078 N VAL A 67 4.476 3.038 4.468 1.00 0.35 N ATOM 1079 CA VAL A 67 5.322 4.044 3.831 1.00 0.39 C ATOM 1080 C VAL A 67 4.626 5.394 3.667 1.00 0.39 C ATOM 1081 O VAL A 67 5.244 6.431 3.888 1.00 0.48 O ATOM 1082 CB VAL A 67 5.866 3.579 2.457 1.00 0.42 C ATOM 1083 CG1 VAL A 67 6.865 2.448 2.632 1.00 1.16 C ATOM 1084 CG2 VAL A 67 4.742 3.157 1.520 1.00 1.40 C ATOM 0 H VAL A 67 4.297 2.213 3.895 1.00 0.35 H new ATOM 0 HA VAL A 67 6.160 4.173 4.516 1.00 0.39 H new ATOM 0 HB VAL A 67 6.374 4.429 2.001 1.00 0.42 H new ATOM 0 HG11 VAL A 67 7.235 2.135 1.656 1.00 1.16 H new ATOM 0 HG12 VAL A 67 7.699 2.791 3.244 1.00 1.16 H new ATOM 0 HG13 VAL A 67 6.378 1.605 3.122 1.00 1.16 H new ATOM 0 HG21 VAL A 67 5.163 2.838 0.567 1.00 1.40 H new ATOM 0 HG22 VAL A 67 4.187 2.332 1.966 1.00 1.40 H new ATOM 0 HG23 VAL A 67 4.070 3.999 1.355 1.00 1.40 H new ATOM 1094 N VAL A 68 3.346 5.395 3.311 1.00 0.34 N ATOM 1095 CA VAL A 68 2.631 6.655 3.115 1.00 0.37 C ATOM 1096 C VAL A 68 2.334 7.354 4.442 1.00 0.39 C ATOM 1097 O VAL A 68 2.300 8.585 4.504 1.00 0.43 O ATOM 1098 CB VAL A 68 1.321 6.477 2.310 1.00 0.38 C ATOM 1099 CG1 VAL A 68 1.617 5.884 0.941 1.00 0.41 C ATOM 1100 CG2 VAL A 68 0.314 5.618 3.066 1.00 0.37 C ATOM 0 H VAL A 68 2.789 4.555 3.154 1.00 0.34 H new ATOM 0 HA VAL A 68 3.300 7.286 2.530 1.00 0.37 H new ATOM 0 HB VAL A 68 0.874 7.462 2.174 1.00 0.38 H new ATOM 0 HG11 VAL A 68 0.686 5.765 0.387 1.00 0.41 H new ATOM 0 HG12 VAL A 68 2.283 6.550 0.392 1.00 0.41 H new ATOM 0 HG13 VAL A 68 2.095 4.912 1.061 1.00 0.41 H new ATOM 0 HG21 VAL A 68 -0.594 5.514 2.472 1.00 0.37 H new ATOM 0 HG22 VAL A 68 0.742 4.633 3.250 1.00 0.37 H new ATOM 0 HG23 VAL A 68 0.073 6.092 4.017 1.00 0.37 H new ATOM 1110 N GLN A 69 2.140 6.579 5.503 1.00 0.39 N ATOM 1111 CA GLN A 69 1.844 7.148 6.812 1.00 0.45 C ATOM 1112 C GLN A 69 3.113 7.686 7.458 1.00 0.45 C ATOM 1113 O GLN A 69 3.120 8.777 8.027 1.00 0.50 O ATOM 1114 CB GLN A 69 1.195 6.103 7.719 1.00 0.52 C ATOM 1115 CG GLN A 69 0.369 6.709 8.843 1.00 0.82 C ATOM 1116 CD GLN A 69 -0.167 5.672 9.815 1.00 1.26 C ATOM 1117 OE1 GLN A 69 -0.343 5.954 10.999 1.00 1.83 O ATOM 1118 NE2 GLN A 69 -0.437 4.470 9.326 1.00 2.02 N ATOM 0 H GLN A 69 2.182 5.560 5.483 1.00 0.39 H new ATOM 0 HA GLN A 69 1.144 7.972 6.675 1.00 0.45 H new ATOM 0 HB2 GLN A 69 0.557 5.456 7.117 1.00 0.52 H new ATOM 0 HB3 GLN A 69 1.973 5.472 8.149 1.00 0.52 H new ATOM 0 HG2 GLN A 69 0.981 7.428 9.389 1.00 0.82 H new ATOM 0 HG3 GLN A 69 -0.467 7.262 8.414 1.00 0.82 H new ATOM 0 HE21 GLN A 69 -0.278 4.274 8.338 1.00 2.02 H new ATOM 0 HE22 GLN A 69 -0.804 3.741 9.938 1.00 2.02 H new ATOM 1127 N GLN A 70 4.189 6.923 7.356 1.00 0.44 N ATOM 1128 CA GLN A 70 5.463 7.333 7.928 1.00 0.49 C ATOM 1129 C GLN A 70 6.067 8.480 7.125 1.00 0.46 C ATOM 1130 O GLN A 70 6.852 9.273 7.650 1.00 0.49 O ATOM 1131 CB GLN A 70 6.433 6.154 7.981 1.00 0.58 C ATOM 1132 CG GLN A 70 6.056 5.102 9.013 1.00 0.78 C ATOM 1133 CD GLN A 70 6.345 5.535 10.441 1.00 1.39 C ATOM 1134 OE1 GLN A 70 6.335 6.723 10.759 1.00 2.10 O ATOM 1135 NE2 GLN A 70 6.594 4.572 11.317 1.00 2.02 N ATOM 0 H GLN A 70 4.207 6.019 6.884 1.00 0.44 H new ATOM 0 HA GLN A 70 5.284 7.680 8.946 1.00 0.49 H new ATOM 0 HB2 GLN A 70 6.478 5.686 6.997 1.00 0.58 H new ATOM 0 HB3 GLN A 70 7.433 6.527 8.203 1.00 0.58 H new ATOM 0 HG2 GLN A 70 4.995 4.872 8.917 1.00 0.78 H new ATOM 0 HG3 GLN A 70 6.602 4.182 8.801 1.00 0.78 H new ATOM 0 HE21 GLN A 70 6.594 3.597 11.017 1.00 2.02 H new ATOM 0 HE22 GLN A 70 6.786 4.806 12.291 1.00 2.02 H new ATOM 1144 N ALA A 71 5.687 8.573 5.850 1.00 0.46 N ATOM 1145 CA ALA A 71 6.175 9.634 4.978 1.00 0.47 C ATOM 1146 C ALA A 71 5.660 10.990 5.445 1.00 0.46 C ATOM 1147 O ALA A 71 6.207 12.029 5.081 1.00 0.48 O ATOM 1148 CB ALA A 71 5.764 9.382 3.535 1.00 0.51 C ATOM 0 H ALA A 71 5.041 7.924 5.401 1.00 0.46 H new ATOM 0 HA ALA A 71 7.264 9.638 5.028 1.00 0.47 H new ATOM 0 HB1 ALA A 71 6.140 10.187 2.904 1.00 0.51 H new ATOM 0 HB2 ALA A 71 6.181 8.433 3.199 1.00 0.51 H new ATOM 0 HB3 ALA A 71 4.677 9.345 3.467 1.00 0.51 H new ATOM 1154 N LYS A 72 4.606 10.972 6.254 1.00 0.49 N ATOM 1155 CA LYS A 72 4.029 12.199 6.786 1.00 0.55 C ATOM 1156 C LYS A 72 4.999 12.844 7.770 1.00 0.54 C ATOM 1157 O LYS A 72 5.020 14.063 7.922 1.00 0.59 O ATOM 1158 CB LYS A 72 2.693 11.915 7.476 1.00 0.66 C ATOM 1159 CG LYS A 72 1.573 11.540 6.517 1.00 0.84 C ATOM 1160 CD LYS A 72 0.953 12.763 5.855 1.00 1.07 C ATOM 1161 CE LYS A 72 -0.011 13.479 6.790 1.00 1.60 C ATOM 1162 NZ LYS A 72 -0.671 14.633 6.128 1.00 2.09 N ATOM 0 H LYS A 72 4.134 10.119 6.555 1.00 0.49 H new ATOM 0 HA LYS A 72 3.849 12.884 5.958 1.00 0.55 H new ATOM 0 HB2 LYS A 72 2.830 11.106 8.193 1.00 0.66 H new ATOM 0 HB3 LYS A 72 2.393 12.796 8.043 1.00 0.66 H new ATOM 0 HG2 LYS A 72 1.962 10.871 5.750 1.00 0.84 H new ATOM 0 HG3 LYS A 72 0.802 10.991 7.058 1.00 0.84 H new ATOM 0 HD2 LYS A 72 1.742 13.450 5.549 1.00 1.07 H new ATOM 0 HD3 LYS A 72 0.426 12.460 4.951 1.00 1.07 H new ATOM 0 HE2 LYS A 72 -0.769 12.777 7.136 1.00 1.60 H new ATOM 0 HE3 LYS A 72 0.528 13.826 7.671 1.00 1.60 H new ATOM 0 HZ1 LYS A 72 -0.921 15.347 6.842 1.00 2.09 H new ATOM 0 HZ2 LYS A 72 -0.022 15.052 5.432 1.00 2.09 H new ATOM 0 HZ3 LYS A 72 -1.534 14.310 5.646 1.00 2.09 H new ATOM 1176 N GLY A 73 5.810 12.015 8.423 1.00 0.54 N ATOM 1177 CA GLY A 73 6.783 12.518 9.375 1.00 0.59 C ATOM 1178 C GLY A 73 7.927 13.223 8.681 1.00 0.56 C ATOM 1179 O GLY A 73 8.300 14.338 9.048 1.00 0.66 O ATOM 0 H GLY A 73 5.809 11.001 8.308 1.00 0.54 H new ATOM 0 HA2 GLY A 73 6.295 13.207 10.065 1.00 0.59 H new ATOM 0 HA3 GLY A 73 7.171 11.692 9.970 1.00 0.59 H new ATOM 1183 N GLN A 74 8.468 12.575 7.653 1.00 0.52 N ATOM 1184 CA GLN A 74 9.572 13.139 6.886 1.00 0.55 C ATOM 1185 C GLN A 74 9.053 14.184 5.901 1.00 0.51 C ATOM 1186 O GLN A 74 9.830 14.881 5.252 1.00 0.56 O ATOM 1187 CB GLN A 74 10.334 12.042 6.138 1.00 0.62 C ATOM 1188 CG GLN A 74 10.978 11.009 7.050 1.00 0.80 C ATOM 1189 CD GLN A 74 11.960 10.112 6.321 1.00 0.94 C ATOM 1190 OE1 GLN A 74 12.631 10.537 5.381 1.00 1.62 O ATOM 1191 NE2 GLN A 74 12.051 8.863 6.749 1.00 1.42 N ATOM 0 H GLN A 74 8.158 11.658 7.332 1.00 0.52 H new ATOM 0 HA GLN A 74 10.259 13.619 7.582 1.00 0.55 H new ATOM 0 HB2 GLN A 74 9.649 11.536 5.458 1.00 0.62 H new ATOM 0 HB3 GLN A 74 11.108 12.504 5.525 1.00 0.62 H new ATOM 0 HG2 GLN A 74 11.494 11.520 7.863 1.00 0.80 H new ATOM 0 HG3 GLN A 74 10.199 10.395 7.503 1.00 0.80 H new ATOM 0 HE21 GLN A 74 11.477 8.549 7.532 1.00 1.42 H new ATOM 0 HE22 GLN A 74 12.695 8.214 6.296 1.00 1.42 H new ATOM 1200 N LYS A 75 7.726 14.272 5.804 1.00 0.47 N ATOM 1201 CA LYS A 75 7.050 15.224 4.924 1.00 0.50 C ATOM 1202 C LYS A 75 7.427 14.992 3.464 1.00 0.47 C ATOM 1203 O LYS A 75 7.622 15.934 2.695 1.00 0.54 O ATOM 1204 CB LYS A 75 7.367 16.658 5.356 1.00 0.62 C ATOM 1205 CG LYS A 75 7.023 16.929 6.812 1.00 0.77 C ATOM 1206 CD LYS A 75 7.709 18.180 7.329 1.00 1.33 C ATOM 1207 CE LYS A 75 7.693 18.232 8.849 1.00 1.99 C ATOM 1208 NZ LYS A 75 8.520 17.152 9.457 1.00 2.70 N ATOM 0 H LYS A 75 7.087 13.682 6.337 1.00 0.47 H new ATOM 0 HA LYS A 75 5.975 15.067 5.010 1.00 0.50 H new ATOM 0 HB2 LYS A 75 8.427 16.854 5.196 1.00 0.62 H new ATOM 0 HB3 LYS A 75 6.816 17.353 4.723 1.00 0.62 H new ATOM 0 HG2 LYS A 75 5.943 17.037 6.917 1.00 0.77 H new ATOM 0 HG3 LYS A 75 7.318 16.074 7.421 1.00 0.77 H new ATOM 0 HD2 LYS A 75 8.739 18.206 6.973 1.00 1.33 H new ATOM 0 HD3 LYS A 75 7.211 19.063 6.928 1.00 1.33 H new ATOM 0 HE2 LYS A 75 8.063 19.202 9.182 1.00 1.99 H new ATOM 0 HE3 LYS A 75 6.666 18.144 9.203 1.00 1.99 H new ATOM 0 HZ1 LYS A 75 8.619 17.324 10.478 1.00 2.70 H new ATOM 0 HZ2 LYS A 75 8.058 16.233 9.304 1.00 2.70 H new ATOM 0 HZ3 LYS A 75 9.461 17.144 9.014 1.00 2.70 H new ATOM 1222 N ILE A 76 7.517 13.726 3.087 1.00 0.42 N ATOM 1223 CA ILE A 76 7.858 13.362 1.724 1.00 0.42 C ATOM 1224 C ILE A 76 6.586 13.159 0.910 1.00 0.38 C ATOM 1225 O ILE A 76 5.997 12.075 0.911 1.00 0.40 O ATOM 1226 CB ILE A 76 8.723 12.081 1.660 1.00 0.46 C ATOM 1227 CG1 ILE A 76 9.968 12.216 2.546 1.00 0.55 C ATOM 1228 CG2 ILE A 76 9.125 11.770 0.220 1.00 0.49 C ATOM 1229 CD1 ILE A 76 10.916 13.316 2.115 1.00 0.63 C ATOM 0 H ILE A 76 7.358 12.933 3.709 1.00 0.42 H new ATOM 0 HA ILE A 76 8.445 14.179 1.306 1.00 0.42 H new ATOM 0 HB ILE A 76 8.123 11.253 2.037 1.00 0.46 H new ATOM 0 HG12 ILE A 76 9.652 12.404 3.572 1.00 0.55 H new ATOM 0 HG13 ILE A 76 10.505 11.268 2.547 1.00 0.55 H new ATOM 0 HG21 ILE A 76 9.733 10.865 0.199 1.00 0.49 H new ATOM 0 HG22 ILE A 76 8.230 11.620 -0.383 1.00 0.49 H new ATOM 0 HG23 ILE A 76 9.700 12.603 -0.185 1.00 0.49 H new ATOM 0 HD11 ILE A 76 11.770 13.346 2.792 1.00 0.63 H new ATOM 0 HD12 ILE A 76 11.264 13.120 1.101 1.00 0.63 H new ATOM 0 HD13 ILE A 76 10.398 14.274 2.142 1.00 0.63 H new ATOM 1241 N ILE A 77 6.166 14.205 0.216 1.00 0.40 N ATOM 1242 CA ILE A 77 4.955 14.145 -0.593 1.00 0.42 C ATOM 1243 C ILE A 77 5.156 13.269 -1.822 1.00 0.39 C ATOM 1244 O ILE A 77 4.190 12.759 -2.379 1.00 0.40 O ATOM 1245 CB ILE A 77 4.473 15.543 -1.036 1.00 0.52 C ATOM 1246 CG1 ILE A 77 5.623 16.349 -1.638 1.00 0.59 C ATOM 1247 CG2 ILE A 77 3.861 16.284 0.140 1.00 0.57 C ATOM 1248 CD1 ILE A 77 5.166 17.502 -2.499 1.00 0.86 C ATOM 0 H ILE A 77 6.644 15.106 0.195 1.00 0.40 H new ATOM 0 HA ILE A 77 4.187 13.706 0.044 1.00 0.42 H new ATOM 0 HB ILE A 77 3.711 15.417 -1.805 1.00 0.52 H new ATOM 0 HG12 ILE A 77 6.247 16.734 -0.832 1.00 0.59 H new ATOM 0 HG13 ILE A 77 6.247 15.685 -2.236 1.00 0.59 H new ATOM 0 HG21 ILE A 77 3.525 17.269 -0.185 1.00 0.57 H new ATOM 0 HG22 ILE A 77 3.011 15.719 0.524 1.00 0.57 H new ATOM 0 HG23 ILE A 77 4.607 16.397 0.927 1.00 0.57 H new ATOM 0 HD11 ILE A 77 6.035 18.029 -2.893 1.00 0.86 H new ATOM 0 HD12 ILE A 77 4.566 17.123 -3.326 1.00 0.86 H new ATOM 0 HD13 ILE A 77 4.566 18.188 -1.900 1.00 0.86 H new ATOM 1260 N GLN A 78 6.411 13.089 -2.233 1.00 0.41 N ATOM 1261 CA GLN A 78 6.726 12.259 -3.396 1.00 0.43 C ATOM 1262 C GLN A 78 6.164 10.851 -3.222 1.00 0.36 C ATOM 1263 O GLN A 78 5.752 10.209 -4.191 1.00 0.36 O ATOM 1264 CB GLN A 78 8.240 12.182 -3.621 1.00 0.52 C ATOM 1265 CG GLN A 78 8.811 13.358 -4.398 1.00 0.81 C ATOM 1266 CD GLN A 78 9.061 14.568 -3.523 1.00 1.36 C ATOM 1267 OE1 GLN A 78 8.201 15.436 -3.381 1.00 2.22 O ATOM 1268 NE2 GLN A 78 10.240 14.634 -2.926 1.00 1.73 N ATOM 0 H GLN A 78 7.224 13.505 -1.780 1.00 0.41 H new ATOM 0 HA GLN A 78 6.264 12.723 -4.267 1.00 0.43 H new ATOM 0 HB2 GLN A 78 8.738 12.123 -2.653 1.00 0.52 H new ATOM 0 HB3 GLN A 78 8.471 11.260 -4.155 1.00 0.52 H new ATOM 0 HG2 GLN A 78 9.746 13.057 -4.871 1.00 0.81 H new ATOM 0 HG3 GLN A 78 8.122 13.629 -5.198 1.00 0.81 H new ATOM 0 HE21 GLN A 78 10.926 13.893 -3.069 1.00 1.73 H new ATOM 0 HE22 GLN A 78 10.462 15.426 -2.322 1.00 1.73 H new ATOM 1277 N PHE A 79 6.144 10.383 -1.979 1.00 0.36 N ATOM 1278 CA PHE A 79 5.630 9.062 -1.665 1.00 0.36 C ATOM 1279 C PHE A 79 4.113 9.029 -1.810 1.00 0.33 C ATOM 1280 O PHE A 79 3.567 8.205 -2.536 1.00 0.36 O ATOM 1281 CB PHE A 79 6.019 8.664 -0.238 1.00 0.42 C ATOM 1282 CG PHE A 79 7.057 7.585 -0.175 1.00 0.40 C ATOM 1283 CD1 PHE A 79 6.694 6.253 -0.274 1.00 1.24 C ATOM 1284 CD2 PHE A 79 8.395 7.899 -0.012 1.00 1.29 C ATOM 1285 CE1 PHE A 79 7.645 5.254 -0.212 1.00 1.30 C ATOM 1286 CE2 PHE A 79 9.351 6.905 0.050 1.00 1.34 C ATOM 1287 CZ PHE A 79 8.975 5.580 -0.050 1.00 0.64 C ATOM 0 H PHE A 79 6.481 10.905 -1.170 1.00 0.36 H new ATOM 0 HA PHE A 79 6.068 8.352 -2.366 1.00 0.36 H new ATOM 0 HB2 PHE A 79 6.390 9.544 0.287 1.00 0.42 H new ATOM 0 HB3 PHE A 79 5.127 8.329 0.292 1.00 0.42 H new ATOM 0 HD1 PHE A 79 5.654 5.992 -0.401 1.00 1.24 H new ATOM 0 HD2 PHE A 79 8.695 8.934 0.068 1.00 1.29 H new ATOM 0 HE1 PHE A 79 7.348 4.219 -0.290 1.00 1.30 H new ATOM 0 HE2 PHE A 79 10.392 7.163 0.177 1.00 1.34 H new ATOM 0 HZ PHE A 79 9.721 4.801 -0.001 1.00 0.64 H new ATOM 1297 N GLN A 80 3.447 9.958 -1.134 1.00 0.33 N ATOM 1298 CA GLN A 80 1.991 10.042 -1.160 1.00 0.38 C ATOM 1299 C GLN A 80 1.466 10.359 -2.559 1.00 0.33 C ATOM 1300 O GLN A 80 0.378 9.930 -2.932 1.00 0.39 O ATOM 1301 CB GLN A 80 1.509 11.104 -0.168 1.00 0.48 C ATOM 1302 CG GLN A 80 1.600 10.658 1.283 1.00 0.60 C ATOM 1303 CD GLN A 80 2.236 11.702 2.184 1.00 0.75 C ATOM 1304 OE1 GLN A 80 2.184 12.903 1.906 1.00 1.30 O ATOM 1305 NE2 GLN A 80 2.828 11.252 3.278 1.00 1.11 N ATOM 0 H GLN A 80 3.896 10.669 -0.557 1.00 0.33 H new ATOM 0 HA GLN A 80 1.598 9.067 -0.871 1.00 0.38 H new ATOM 0 HB2 GLN A 80 2.101 12.010 -0.300 1.00 0.48 H new ATOM 0 HB3 GLN A 80 0.475 11.363 -0.397 1.00 0.48 H new ATOM 0 HG2 GLN A 80 0.600 10.429 1.651 1.00 0.60 H new ATOM 0 HG3 GLN A 80 2.179 9.736 1.339 1.00 0.60 H new ATOM 0 HE21 GLN A 80 2.849 10.251 3.471 1.00 1.11 H new ATOM 0 HE22 GLN A 80 3.263 11.906 3.928 1.00 1.11 H new ATOM 1314 N ASP A 81 2.243 11.109 -3.325 1.00 0.33 N ATOM 1315 CA ASP A 81 1.858 11.485 -4.681 1.00 0.35 C ATOM 1316 C ASP A 81 1.918 10.288 -5.631 1.00 0.32 C ATOM 1317 O ASP A 81 0.918 9.920 -6.252 1.00 0.37 O ATOM 1318 CB ASP A 81 2.777 12.595 -5.194 1.00 0.41 C ATOM 1319 CG ASP A 81 2.267 13.236 -6.470 1.00 0.52 C ATOM 1320 OD1 ASP A 81 2.545 12.700 -7.566 1.00 1.16 O ATOM 1321 OD2 ASP A 81 1.592 14.284 -6.379 1.00 1.32 O ATOM 0 H ASP A 81 3.150 11.472 -3.031 1.00 0.33 H new ATOM 0 HA ASP A 81 0.829 11.843 -4.650 1.00 0.35 H new ATOM 0 HB2 ASP A 81 2.880 13.360 -4.424 1.00 0.41 H new ATOM 0 HB3 ASP A 81 3.771 12.185 -5.371 1.00 0.41 H new ATOM 1326 N SER A 82 3.092 9.675 -5.717 1.00 0.31 N ATOM 1327 CA SER A 82 3.308 8.536 -6.601 1.00 0.32 C ATOM 1328 C SER A 82 2.486 7.317 -6.188 1.00 0.29 C ATOM 1329 O SER A 82 1.907 6.641 -7.034 1.00 0.30 O ATOM 1330 CB SER A 82 4.794 8.187 -6.630 1.00 0.36 C ATOM 1331 OG SER A 82 5.579 9.360 -6.769 1.00 0.94 O ATOM 0 H SER A 82 3.915 9.950 -5.181 1.00 0.31 H new ATOM 0 HA SER A 82 2.974 8.822 -7.599 1.00 0.32 H new ATOM 0 HB2 SER A 82 5.069 7.665 -5.713 1.00 0.36 H new ATOM 0 HB3 SER A 82 4.997 7.507 -7.457 1.00 0.36 H new ATOM 0 HG SER A 82 5.808 9.707 -5.882 1.00 0.94 H new ATOM 1337 N PHE A 83 2.425 7.038 -4.892 1.00 0.27 N ATOM 1338 CA PHE A 83 1.673 5.886 -4.414 1.00 0.26 C ATOM 1339 C PHE A 83 0.179 6.177 -4.387 1.00 0.26 C ATOM 1340 O PHE A 83 -0.633 5.276 -4.560 1.00 0.30 O ATOM 1341 CB PHE A 83 2.150 5.463 -3.025 1.00 0.27 C ATOM 1342 CG PHE A 83 3.308 4.508 -3.054 1.00 0.28 C ATOM 1343 CD1 PHE A 83 4.611 4.978 -3.070 1.00 1.21 C ATOM 1344 CD2 PHE A 83 3.092 3.138 -3.068 1.00 1.21 C ATOM 1345 CE1 PHE A 83 5.678 4.101 -3.101 1.00 1.23 C ATOM 1346 CE2 PHE A 83 4.156 2.256 -3.098 1.00 1.22 C ATOM 1347 CZ PHE A 83 5.450 2.739 -3.114 1.00 0.37 C ATOM 0 H PHE A 83 2.881 7.586 -4.162 1.00 0.27 H new ATOM 0 HA PHE A 83 1.851 5.066 -5.110 1.00 0.26 H new ATOM 0 HB2 PHE A 83 2.436 6.351 -2.462 1.00 0.27 H new ATOM 0 HB3 PHE A 83 1.321 5.000 -2.490 1.00 0.27 H new ATOM 0 HD1 PHE A 83 4.795 6.042 -3.058 1.00 1.21 H new ATOM 0 HD2 PHE A 83 2.082 2.756 -3.055 1.00 1.21 H new ATOM 0 HE1 PHE A 83 6.689 4.480 -3.115 1.00 1.23 H new ATOM 0 HE2 PHE A 83 3.976 1.191 -3.109 1.00 1.22 H new ATOM 0 HZ PHE A 83 6.283 2.052 -3.137 1.00 0.37 H new ATOM 1357 N GLY A 84 -0.179 7.441 -4.202 1.00 0.27 N ATOM 1358 CA GLY A 84 -1.581 7.816 -4.148 1.00 0.30 C ATOM 1359 C GLY A 84 -2.288 7.663 -5.480 1.00 0.30 C ATOM 1360 O GLY A 84 -3.407 7.152 -5.540 1.00 0.34 O ATOM 0 H GLY A 84 0.476 8.215 -4.088 1.00 0.27 H new ATOM 0 HA2 GLY A 84 -2.087 7.203 -3.402 1.00 0.30 H new ATOM 0 HA3 GLY A 84 -1.662 8.851 -3.817 1.00 0.30 H new ATOM 1364 N LYS A 85 -1.627 8.083 -6.554 1.00 0.31 N ATOM 1365 CA LYS A 85 -2.211 8.009 -7.891 1.00 0.36 C ATOM 1366 C LYS A 85 -2.433 6.563 -8.341 1.00 0.34 C ATOM 1367 O LYS A 85 -3.322 6.294 -9.150 1.00 0.43 O ATOM 1368 CB LYS A 85 -1.337 8.756 -8.905 1.00 0.42 C ATOM 1369 CG LYS A 85 0.071 8.198 -9.047 1.00 0.48 C ATOM 1370 CD LYS A 85 0.863 8.943 -10.110 1.00 0.62 C ATOM 1371 CE LYS A 85 1.208 10.358 -9.669 1.00 0.96 C ATOM 1372 NZ LYS A 85 2.026 11.076 -10.681 1.00 1.31 N ATOM 0 H LYS A 85 -0.687 8.478 -6.526 1.00 0.31 H new ATOM 0 HA LYS A 85 -3.188 8.491 -7.843 1.00 0.36 H new ATOM 0 HB2 LYS A 85 -1.826 8.729 -9.879 1.00 0.42 H new ATOM 0 HB3 LYS A 85 -1.272 9.803 -8.610 1.00 0.42 H new ATOM 0 HG2 LYS A 85 0.589 8.268 -8.091 1.00 0.48 H new ATOM 0 HG3 LYS A 85 0.020 7.140 -9.305 1.00 0.48 H new ATOM 0 HD2 LYS A 85 1.780 8.397 -10.329 1.00 0.62 H new ATOM 0 HD3 LYS A 85 0.286 8.981 -11.034 1.00 0.62 H new ATOM 0 HE2 LYS A 85 0.289 10.914 -9.486 1.00 0.96 H new ATOM 0 HE3 LYS A 85 1.751 10.321 -8.725 1.00 0.96 H new ATOM 0 HZ1 LYS A 85 2.238 12.035 -10.339 1.00 1.31 H new ATOM 0 HZ2 LYS A 85 2.915 10.560 -10.838 1.00 1.31 H new ATOM 0 HZ3 LYS A 85 1.498 11.136 -11.575 1.00 1.31 H new ATOM 1386 N VAL A 86 -1.634 5.637 -7.820 1.00 0.28 N ATOM 1387 CA VAL A 86 -1.768 4.232 -8.187 1.00 0.29 C ATOM 1388 C VAL A 86 -2.595 3.465 -7.156 1.00 0.27 C ATOM 1389 O VAL A 86 -3.109 2.379 -7.440 1.00 0.28 O ATOM 1390 CB VAL A 86 -0.394 3.540 -8.361 1.00 0.31 C ATOM 1391 CG1 VAL A 86 0.373 4.154 -9.523 1.00 0.38 C ATOM 1392 CG2 VAL A 86 0.428 3.614 -7.081 1.00 0.31 C ATOM 0 H VAL A 86 -0.892 5.832 -7.147 1.00 0.28 H new ATOM 0 HA VAL A 86 -2.285 4.215 -9.147 1.00 0.29 H new ATOM 0 HB VAL A 86 -0.577 2.488 -8.582 1.00 0.31 H new ATOM 0 HG11 VAL A 86 1.336 3.654 -9.628 1.00 0.38 H new ATOM 0 HG12 VAL A 86 -0.201 4.034 -10.442 1.00 0.38 H new ATOM 0 HG13 VAL A 86 0.534 5.215 -9.332 1.00 0.38 H new ATOM 0 HG21 VAL A 86 1.387 3.119 -7.235 1.00 0.31 H new ATOM 0 HG22 VAL A 86 0.597 4.658 -6.817 1.00 0.31 H new ATOM 0 HG23 VAL A 86 -0.110 3.118 -6.274 1.00 0.31 H new ATOM 1402 N ALA A 87 -2.729 4.040 -5.963 1.00 0.29 N ATOM 1403 CA ALA A 87 -3.487 3.420 -4.884 1.00 0.30 C ATOM 1404 C ALA A 87 -4.954 3.273 -5.251 1.00 0.28 C ATOM 1405 O ALA A 87 -5.537 2.217 -5.041 1.00 0.28 O ATOM 1406 CB ALA A 87 -3.351 4.220 -3.598 1.00 0.38 C ATOM 0 H ALA A 87 -2.318 4.941 -5.720 1.00 0.29 H new ATOM 0 HA ALA A 87 -3.073 2.424 -4.725 1.00 0.30 H new ATOM 0 HB1 ALA A 87 -3.925 3.738 -2.807 1.00 0.38 H new ATOM 0 HB2 ALA A 87 -2.301 4.266 -3.308 1.00 0.38 H new ATOM 0 HB3 ALA A 87 -3.729 5.230 -3.756 1.00 0.38 H new ATOM 1412 N ALA A 88 -5.536 4.333 -5.808 1.00 0.32 N ATOM 1413 CA ALA A 88 -6.944 4.324 -6.208 1.00 0.36 C ATOM 1414 C ALA A 88 -7.273 3.109 -7.070 1.00 0.34 C ATOM 1415 O ALA A 88 -8.265 2.416 -6.836 1.00 0.44 O ATOM 1416 CB ALA A 88 -7.283 5.603 -6.950 1.00 0.45 C ATOM 0 H ALA A 88 -5.054 5.212 -5.994 1.00 0.32 H new ATOM 0 HA ALA A 88 -7.549 4.263 -5.304 1.00 0.36 H new ATOM 0 HB1 ALA A 88 -8.333 5.586 -7.243 1.00 0.45 H new ATOM 0 HB2 ALA A 88 -7.101 6.459 -6.301 1.00 0.45 H new ATOM 0 HB3 ALA A 88 -6.659 5.684 -7.840 1.00 0.45 H new ATOM 1422 N GLU A 89 -6.417 2.850 -8.055 1.00 0.30 N ATOM 1423 CA GLU A 89 -6.591 1.716 -8.954 1.00 0.32 C ATOM 1424 C GLU A 89 -6.525 0.404 -8.179 1.00 0.29 C ATOM 1425 O GLU A 89 -7.492 -0.355 -8.143 1.00 0.32 O ATOM 1426 CB GLU A 89 -5.506 1.737 -10.040 1.00 0.39 C ATOM 1427 CG GLU A 89 -5.396 0.447 -10.848 1.00 0.55 C ATOM 1428 CD GLU A 89 -6.337 0.407 -12.034 1.00 0.88 C ATOM 1429 OE1 GLU A 89 -6.137 1.191 -12.982 1.00 1.56 O ATOM 1430 OE2 GLU A 89 -7.275 -0.416 -12.035 1.00 1.56 O ATOM 0 H GLU A 89 -5.591 3.415 -8.250 1.00 0.30 H new ATOM 0 HA GLU A 89 -7.571 1.793 -9.425 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -5.708 2.562 -10.722 1.00 0.39 H new ATOM 0 HB3 GLU A 89 -4.543 1.940 -9.571 1.00 0.39 H new ATOM 0 HG2 GLU A 89 -4.371 0.333 -11.201 1.00 0.55 H new ATOM 0 HG3 GLU A 89 -5.605 -0.402 -10.197 1.00 0.55 H new ATOM 1437 N VAL A 90 -5.389 0.172 -7.528 1.00 0.27 N ATOM 1438 CA VAL A 90 -5.158 -1.049 -6.766 1.00 0.28 C ATOM 1439 C VAL A 90 -6.244 -1.295 -5.718 1.00 0.27 C ATOM 1440 O VAL A 90 -6.809 -2.388 -5.652 1.00 0.30 O ATOM 1441 CB VAL A 90 -3.778 -1.015 -6.076 1.00 0.29 C ATOM 1442 CG1 VAL A 90 -3.588 -2.225 -5.172 1.00 0.34 C ATOM 1443 CG2 VAL A 90 -2.669 -0.942 -7.116 1.00 0.32 C ATOM 0 H VAL A 90 -4.605 0.824 -7.514 1.00 0.27 H new ATOM 0 HA VAL A 90 -5.188 -1.870 -7.482 1.00 0.28 H new ATOM 0 HB VAL A 90 -3.731 -0.122 -5.453 1.00 0.29 H new ATOM 0 HG11 VAL A 90 -2.607 -2.175 -4.699 1.00 0.34 H new ATOM 0 HG12 VAL A 90 -4.362 -2.231 -4.404 1.00 0.34 H new ATOM 0 HG13 VAL A 90 -3.659 -3.137 -5.765 1.00 0.34 H new ATOM 0 HG21 VAL A 90 -1.701 -0.919 -6.615 1.00 0.32 H new ATOM 0 HG22 VAL A 90 -2.721 -1.816 -7.765 1.00 0.32 H new ATOM 0 HG23 VAL A 90 -2.790 -0.039 -7.714 1.00 0.32 H new ATOM 1453 N LEU A 91 -6.550 -0.276 -4.922 1.00 0.26 N ATOM 1454 CA LEU A 91 -7.554 -0.399 -3.866 1.00 0.28 C ATOM 1455 C LEU A 91 -8.929 -0.743 -4.434 1.00 0.27 C ATOM 1456 O LEU A 91 -9.668 -1.535 -3.850 1.00 0.30 O ATOM 1457 CB LEU A 91 -7.620 0.885 -3.034 1.00 0.31 C ATOM 1458 CG LEU A 91 -6.328 1.234 -2.281 1.00 0.53 C ATOM 1459 CD1 LEU A 91 -6.513 2.488 -1.444 1.00 1.45 C ATOM 1460 CD2 LEU A 91 -5.879 0.070 -1.408 1.00 0.89 C ATOM 0 H LEU A 91 -6.118 0.646 -4.986 1.00 0.26 H new ATOM 0 HA LEU A 91 -7.251 -1.221 -3.217 1.00 0.28 H new ATOM 0 HB2 LEU A 91 -7.875 1.715 -3.693 1.00 0.31 H new ATOM 0 HB3 LEU A 91 -8.431 0.791 -2.311 1.00 0.31 H new ATOM 0 HG LEU A 91 -5.550 1.427 -3.019 1.00 0.53 H new ATOM 0 HD11 LEU A 91 -5.585 2.716 -0.920 1.00 1.45 H new ATOM 0 HD12 LEU A 91 -6.777 3.323 -2.093 1.00 1.45 H new ATOM 0 HD13 LEU A 91 -7.310 2.327 -0.718 1.00 1.45 H new ATOM 0 HD21 LEU A 91 -4.962 0.340 -0.884 1.00 0.89 H new ATOM 0 HD22 LEU A 91 -6.657 -0.161 -0.681 1.00 0.89 H new ATOM 0 HD23 LEU A 91 -5.696 -0.804 -2.033 1.00 0.89 H new ATOM 1472 N GLY A 92 -9.261 -0.165 -5.581 1.00 0.28 N ATOM 1473 CA GLY A 92 -10.543 -0.440 -6.201 1.00 0.31 C ATOM 1474 C GLY A 92 -10.600 -1.836 -6.794 1.00 0.33 C ATOM 1475 O GLY A 92 -11.660 -2.465 -6.833 1.00 0.41 O ATOM 0 H GLY A 92 -8.667 0.488 -6.092 1.00 0.28 H new ATOM 0 HA2 GLY A 92 -11.335 -0.328 -5.461 1.00 0.31 H new ATOM 0 HA3 GLY A 92 -10.732 0.294 -6.984 1.00 0.31 H new ATOM 1479 N ARG A 93 -9.453 -2.323 -7.246 1.00 0.31 N ATOM 1480 CA ARG A 93 -9.363 -3.649 -7.845 1.00 0.37 C ATOM 1481 C ARG A 93 -9.393 -4.738 -6.781 1.00 0.37 C ATOM 1482 O ARG A 93 -10.186 -5.677 -6.869 1.00 0.42 O ATOM 1483 CB ARG A 93 -8.084 -3.779 -8.675 1.00 0.43 C ATOM 1484 CG ARG A 93 -7.964 -2.743 -9.777 1.00 0.59 C ATOM 1485 CD ARG A 93 -8.932 -3.013 -10.917 1.00 0.95 C ATOM 1486 NE ARG A 93 -8.527 -4.177 -11.705 1.00 1.84 N ATOM 1487 CZ ARG A 93 -7.683 -4.122 -12.736 1.00 2.40 C ATOM 1488 NH1 ARG A 93 -7.150 -2.961 -13.106 1.00 2.41 N ATOM 1489 NH2 ARG A 93 -7.367 -5.230 -13.388 1.00 3.46 N ATOM 0 H ARG A 93 -8.568 -1.818 -7.209 1.00 0.31 H new ATOM 0 HA ARG A 93 -10.228 -3.775 -8.496 1.00 0.37 H new ATOM 0 HB2 ARG A 93 -7.222 -3.694 -8.013 1.00 0.43 H new ATOM 0 HB3 ARG A 93 -8.049 -4.774 -9.119 1.00 0.43 H new ATOM 0 HG2 ARG A 93 -8.155 -1.752 -9.366 1.00 0.59 H new ATOM 0 HG3 ARG A 93 -6.944 -2.738 -10.161 1.00 0.59 H new ATOM 0 HD2 ARG A 93 -9.932 -3.176 -10.515 1.00 0.95 H new ATOM 0 HD3 ARG A 93 -8.987 -2.137 -11.563 1.00 0.95 H new ATOM 0 HE ARG A 93 -8.914 -5.086 -11.450 1.00 1.84 H new ATOM 0 HH11 ARG A 93 -7.386 -2.107 -12.600 1.00 2.41 H new ATOM 0 HH12 ARG A 93 -6.505 -2.924 -13.895 1.00 2.41 H new ATOM 0 HH21 ARG A 93 -7.769 -6.123 -13.101 1.00 3.46 H new ATOM 0 HH22 ARG A 93 -6.722 -5.191 -14.177 1.00 3.46 H new ATOM 1503 N ILE A 94 -8.547 -4.601 -5.761 1.00 0.36 N ATOM 1504 CA ILE A 94 -8.478 -5.591 -4.692 1.00 0.40 C ATOM 1505 C ILE A 94 -9.778 -5.635 -3.898 1.00 0.39 C ATOM 1506 O ILE A 94 -10.076 -6.626 -3.245 1.00 0.43 O ATOM 1507 CB ILE A 94 -7.289 -5.350 -3.740 1.00 0.44 C ATOM 1508 CG1 ILE A 94 -7.399 -3.979 -3.068 1.00 0.40 C ATOM 1509 CG2 ILE A 94 -5.975 -5.474 -4.500 1.00 0.49 C ATOM 1510 CD1 ILE A 94 -6.232 -3.655 -2.165 1.00 0.50 C ATOM 0 H ILE A 94 -7.903 -3.817 -5.654 1.00 0.36 H new ATOM 0 HA ILE A 94 -8.323 -6.555 -5.177 1.00 0.40 H new ATOM 0 HB ILE A 94 -7.312 -6.109 -2.958 1.00 0.44 H new ATOM 0 HG12 ILE A 94 -7.477 -3.211 -3.838 1.00 0.40 H new ATOM 0 HG13 ILE A 94 -8.320 -3.941 -2.486 1.00 0.40 H new ATOM 0 HG21 ILE A 94 -5.142 -5.302 -3.818 1.00 0.49 H new ATOM 0 HG22 ILE A 94 -5.894 -6.474 -4.926 1.00 0.49 H new ATOM 0 HG23 ILE A 94 -5.947 -4.735 -5.301 1.00 0.49 H new ATOM 0 HD11 ILE A 94 -6.377 -2.669 -1.723 1.00 0.50 H new ATOM 0 HD12 ILE A 94 -6.166 -4.402 -1.374 1.00 0.50 H new ATOM 0 HD13 ILE A 94 -5.310 -3.660 -2.746 1.00 0.50 H new ATOM 1522 N ASN A 95 -10.558 -4.562 -3.974 1.00 0.36 N ATOM 1523 CA ASN A 95 -11.847 -4.497 -3.285 1.00 0.40 C ATOM 1524 C ASN A 95 -12.781 -5.571 -3.839 1.00 0.43 C ATOM 1525 O ASN A 95 -13.671 -6.069 -3.153 1.00 0.51 O ATOM 1526 CB ASN A 95 -12.474 -3.110 -3.468 1.00 0.43 C ATOM 1527 CG ASN A 95 -13.782 -2.942 -2.712 1.00 0.59 C ATOM 1528 OD1 ASN A 95 -13.960 -3.475 -1.619 1.00 1.00 O ATOM 1529 ND2 ASN A 95 -14.704 -2.186 -3.293 1.00 0.79 N ATOM 0 H ASN A 95 -10.322 -3.724 -4.505 1.00 0.36 H new ATOM 0 HA ASN A 95 -11.691 -4.672 -2.221 1.00 0.40 H new ATOM 0 HB2 ASN A 95 -11.767 -2.351 -3.132 1.00 0.43 H new ATOM 0 HB3 ASN A 95 -12.650 -2.934 -4.529 1.00 0.43 H new ATOM 0 HD21 ASN A 95 -15.600 -2.029 -2.831 1.00 0.79 H new ATOM 0 HD22 ASN A 95 -14.517 -1.761 -4.201 1.00 0.79 H new ATOM 1536 N GLN A 96 -12.544 -5.943 -5.090 1.00 0.42 N ATOM 1537 CA GLN A 96 -13.345 -6.952 -5.760 1.00 0.48 C ATOM 1538 C GLN A 96 -12.615 -8.295 -5.786 1.00 0.49 C ATOM 1539 O GLN A 96 -13.109 -9.273 -6.352 1.00 0.66 O ATOM 1540 CB GLN A 96 -13.660 -6.494 -7.182 1.00 0.59 C ATOM 1541 CG GLN A 96 -14.439 -5.189 -7.235 1.00 0.93 C ATOM 1542 CD GLN A 96 -14.385 -4.536 -8.600 1.00 0.85 C ATOM 1543 OE1 GLN A 96 -15.196 -4.833 -9.476 1.00 1.11 O ATOM 1544 NE2 GLN A 96 -13.437 -3.633 -8.786 1.00 1.14 N ATOM 0 H GLN A 96 -11.795 -5.555 -5.664 1.00 0.42 H new ATOM 0 HA GLN A 96 -14.276 -7.084 -5.209 1.00 0.48 H new ATOM 0 HB2 GLN A 96 -12.727 -6.375 -7.733 1.00 0.59 H new ATOM 0 HB3 GLN A 96 -14.232 -7.271 -7.688 1.00 0.59 H new ATOM 0 HG2 GLN A 96 -15.478 -5.379 -6.968 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -14.039 -4.501 -6.490 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -12.784 -3.416 -8.033 1.00 1.14 H new ATOM 0 HE22 GLN A 96 -13.358 -3.153 -9.683 1.00 1.14 H new ATOM 1553 N GLU A 97 -11.442 -8.336 -5.162 1.00 0.42 N ATOM 1554 CA GLU A 97 -10.634 -9.553 -5.114 1.00 0.48 C ATOM 1555 C GLU A 97 -10.468 -10.052 -3.680 1.00 0.44 C ATOM 1556 O GLU A 97 -10.063 -11.193 -3.451 1.00 0.54 O ATOM 1557 CB GLU A 97 -9.253 -9.295 -5.722 1.00 0.56 C ATOM 1558 CG GLU A 97 -9.051 -9.926 -7.087 1.00 0.74 C ATOM 1559 CD GLU A 97 -7.584 -10.098 -7.430 1.00 0.72 C ATOM 1560 OE1 GLU A 97 -6.932 -10.987 -6.844 1.00 1.30 O ATOM 1561 OE2 GLU A 97 -7.070 -9.347 -8.282 1.00 1.33 O ATOM 0 H GLU A 97 -11.027 -7.538 -4.680 1.00 0.42 H new ATOM 0 HA GLU A 97 -11.153 -10.318 -5.691 1.00 0.48 H new ATOM 0 HB2 GLU A 97 -9.099 -8.219 -5.804 1.00 0.56 H new ATOM 0 HB3 GLU A 97 -8.491 -9.675 -5.041 1.00 0.56 H new ATOM 0 HG2 GLU A 97 -9.544 -10.898 -7.112 1.00 0.74 H new ATOM 0 HG3 GLU A 97 -9.529 -9.306 -7.846 1.00 0.74 H new ATOM 1568 N PHE A 98 -10.765 -9.188 -2.722 1.00 0.38 N ATOM 1569 CA PHE A 98 -10.637 -9.528 -1.311 1.00 0.43 C ATOM 1570 C PHE A 98 -11.966 -10.010 -0.737 1.00 0.49 C ATOM 1571 O PHE A 98 -12.983 -9.327 -0.857 1.00 0.52 O ATOM 1572 CB PHE A 98 -10.144 -8.313 -0.517 1.00 0.46 C ATOM 1573 CG PHE A 98 -8.658 -8.080 -0.596 1.00 0.47 C ATOM 1574 CD1 PHE A 98 -7.875 -8.745 -1.527 1.00 1.22 C ATOM 1575 CD2 PHE A 98 -8.046 -7.190 0.272 1.00 1.34 C ATOM 1576 CE1 PHE A 98 -6.511 -8.525 -1.591 1.00 1.21 C ATOM 1577 CE2 PHE A 98 -6.683 -6.968 0.212 1.00 1.39 C ATOM 1578 CZ PHE A 98 -5.915 -7.635 -0.720 1.00 0.56 C ATOM 0 H PHE A 98 -11.099 -8.240 -2.896 1.00 0.38 H new ATOM 0 HA PHE A 98 -9.911 -10.337 -1.226 1.00 0.43 H new ATOM 0 HB2 PHE A 98 -10.659 -7.424 -0.880 1.00 0.46 H new ATOM 0 HB3 PHE A 98 -10.425 -8.439 0.529 1.00 0.46 H new ATOM 0 HD1 PHE A 98 -8.336 -9.443 -2.210 1.00 1.22 H new ATOM 0 HD2 PHE A 98 -8.641 -6.664 1.004 1.00 1.34 H new ATOM 0 HE1 PHE A 98 -5.913 -9.049 -2.322 1.00 1.21 H new ATOM 0 HE2 PHE A 98 -6.219 -6.272 0.895 1.00 1.39 H new ATOM 0 HZ PHE A 98 -4.850 -7.461 -0.768 1.00 0.56 H new ATOM 1588 N PRO A 99 -11.978 -11.208 -0.123 1.00 0.58 N ATOM 1589 CA PRO A 99 -13.184 -11.771 0.493 1.00 0.70 C ATOM 1590 C PRO A 99 -13.707 -10.898 1.631 1.00 0.77 C ATOM 1591 O PRO A 99 -13.059 -9.926 2.028 1.00 1.47 O ATOM 1592 CB PRO A 99 -12.721 -13.130 1.035 1.00 0.78 C ATOM 1593 CG PRO A 99 -11.477 -13.443 0.277 1.00 0.82 C ATOM 1594 CD PRO A 99 -10.831 -12.120 -0.012 1.00 0.63 C ATOM 0 HA PRO A 99 -14.005 -11.845 -0.220 1.00 0.70 H new ATOM 0 HB2 PRO A 99 -12.529 -13.083 2.107 1.00 0.78 H new ATOM 0 HB3 PRO A 99 -13.481 -13.896 0.881 1.00 0.78 H new ATOM 0 HG2 PRO A 99 -10.814 -14.083 0.860 1.00 0.82 H new ATOM 0 HG3 PRO A 99 -11.705 -13.977 -0.646 1.00 0.82 H new ATOM 0 HD2 PRO A 99 -10.152 -11.819 0.786 1.00 0.63 H new ATOM 0 HD3 PRO A 99 -10.248 -12.148 -0.932 1.00 0.63 H new ATOM 1602 N ARG A 100 -14.863 -11.278 2.169 1.00 0.63 N ATOM 1603 CA ARG A 100 -15.518 -10.548 3.256 1.00 0.65 C ATOM 1604 C ARG A 100 -14.572 -10.245 4.424 1.00 0.61 C ATOM 1605 O ARG A 100 -14.691 -9.206 5.066 1.00 0.76 O ATOM 1606 CB ARG A 100 -16.734 -11.334 3.757 1.00 0.83 C ATOM 1607 CG ARG A 100 -16.397 -12.721 4.278 1.00 1.54 C ATOM 1608 CD ARG A 100 -17.618 -13.629 4.302 1.00 2.05 C ATOM 1609 NE ARG A 100 -17.266 -14.983 4.724 1.00 2.97 N ATOM 1610 CZ ARG A 100 -17.334 -16.057 3.941 1.00 3.79 C ATOM 1611 NH1 ARG A 100 -17.761 -15.952 2.687 1.00 3.82 N ATOM 1612 NH2 ARG A 100 -16.966 -17.238 4.412 1.00 4.87 N ATOM 0 H ARG A 100 -15.376 -12.105 1.863 1.00 0.63 H new ATOM 0 HA ARG A 100 -15.837 -9.589 2.848 1.00 0.65 H new ATOM 0 HB2 ARG A 100 -17.220 -10.766 4.551 1.00 0.83 H new ATOM 0 HB3 ARG A 100 -17.455 -11.427 2.944 1.00 0.83 H new ATOM 0 HG2 ARG A 100 -15.625 -13.167 3.651 1.00 1.54 H new ATOM 0 HG3 ARG A 100 -15.984 -12.641 5.284 1.00 1.54 H new ATOM 0 HD2 ARG A 100 -18.366 -13.218 4.980 1.00 2.05 H new ATOM 0 HD3 ARG A 100 -18.069 -13.661 3.310 1.00 2.05 H new ATOM 0 HE ARG A 100 -16.947 -15.114 5.684 1.00 2.97 H new ATOM 0 HH11 ARG A 100 -18.040 -15.043 2.318 1.00 3.82 H new ATOM 0 HH12 ARG A 100 -17.810 -16.780 2.094 1.00 3.82 H new ATOM 0 HH21 ARG A 100 -16.632 -17.323 5.372 1.00 4.87 H new ATOM 0 HH22 ARG A 100 -17.017 -18.063 3.815 1.00 4.87 H new ATOM 1626 N ASP A 101 -13.628 -11.137 4.691 1.00 0.61 N ATOM 1627 CA ASP A 101 -12.694 -10.933 5.792 1.00 0.66 C ATOM 1628 C ASP A 101 -11.640 -9.885 5.450 1.00 0.59 C ATOM 1629 O ASP A 101 -11.449 -8.920 6.191 1.00 0.70 O ATOM 1630 CB ASP A 101 -11.998 -12.242 6.165 1.00 0.84 C ATOM 1631 CG ASP A 101 -11.103 -12.086 7.381 1.00 1.76 C ATOM 1632 OD1 ASP A 101 -9.932 -11.673 7.222 1.00 2.58 O ATOM 1633 OD2 ASP A 101 -11.569 -12.365 8.504 1.00 2.35 O ATOM 0 H ASP A 101 -13.488 -12.001 4.167 1.00 0.61 H new ATOM 0 HA ASP A 101 -13.278 -10.576 6.641 1.00 0.66 H new ATOM 0 HB2 ASP A 101 -12.748 -13.007 6.363 1.00 0.84 H new ATOM 0 HB3 ASP A 101 -11.404 -12.590 5.320 1.00 0.84 H new ATOM 1638 N LEU A 102 -10.972 -10.072 4.319 1.00 0.55 N ATOM 1639 CA LEU A 102 -9.911 -9.165 3.896 1.00 0.57 C ATOM 1640 C LEU A 102 -10.442 -7.775 3.553 1.00 0.54 C ATOM 1641 O LEU A 102 -9.777 -6.774 3.819 1.00 0.64 O ATOM 1642 CB LEU A 102 -9.156 -9.747 2.699 1.00 0.60 C ATOM 1643 CG LEU A 102 -8.382 -11.040 2.971 1.00 0.68 C ATOM 1644 CD1 LEU A 102 -7.501 -11.390 1.780 1.00 0.83 C ATOM 1645 CD2 LEU A 102 -7.544 -10.913 4.235 1.00 0.85 C ATOM 0 H LEU A 102 -11.146 -10.845 3.677 1.00 0.55 H new ATOM 0 HA LEU A 102 -9.227 -9.057 4.738 1.00 0.57 H new ATOM 0 HB2 LEU A 102 -9.871 -9.934 1.897 1.00 0.60 H new ATOM 0 HB3 LEU A 102 -8.456 -8.996 2.333 1.00 0.60 H new ATOM 0 HG LEU A 102 -9.102 -11.845 3.120 1.00 0.68 H new ATOM 0 HD11 LEU A 102 -6.957 -12.311 1.988 1.00 0.83 H new ATOM 0 HD12 LEU A 102 -8.123 -11.528 0.895 1.00 0.83 H new ATOM 0 HD13 LEU A 102 -6.791 -10.582 1.602 1.00 0.83 H new ATOM 0 HD21 LEU A 102 -7.003 -11.843 4.408 1.00 0.85 H new ATOM 0 HD22 LEU A 102 -6.832 -10.096 4.119 1.00 0.85 H new ATOM 0 HD23 LEU A 102 -8.196 -10.709 5.085 1.00 0.85 H new ATOM 1657 N LYS A 103 -11.639 -7.707 2.975 1.00 0.50 N ATOM 1658 CA LYS A 103 -12.223 -6.418 2.610 1.00 0.54 C ATOM 1659 C LYS A 103 -12.529 -5.588 3.856 1.00 0.52 C ATOM 1660 O LYS A 103 -12.469 -4.361 3.819 1.00 0.56 O ATOM 1661 CB LYS A 103 -13.484 -6.598 1.761 1.00 0.69 C ATOM 1662 CG LYS A 103 -14.684 -7.105 2.534 1.00 0.95 C ATOM 1663 CD LYS A 103 -15.939 -7.098 1.681 1.00 1.22 C ATOM 1664 CE LYS A 103 -16.294 -5.694 1.214 1.00 1.66 C ATOM 1665 NZ LYS A 103 -17.727 -5.579 0.841 1.00 2.36 N ATOM 0 H LYS A 103 -12.217 -8.517 2.752 1.00 0.50 H new ATOM 0 HA LYS A 103 -11.489 -5.881 2.010 1.00 0.54 H new ATOM 0 HB2 LYS A 103 -13.739 -5.643 1.301 1.00 0.69 H new ATOM 0 HB3 LYS A 103 -13.267 -7.294 0.951 1.00 0.69 H new ATOM 0 HG2 LYS A 103 -14.489 -8.117 2.888 1.00 0.95 H new ATOM 0 HG3 LYS A 103 -14.839 -6.484 3.416 1.00 0.95 H new ATOM 0 HD2 LYS A 103 -15.794 -7.744 0.815 1.00 1.22 H new ATOM 0 HD3 LYS A 103 -16.770 -7.512 2.252 1.00 1.22 H new ATOM 0 HE2 LYS A 103 -16.067 -4.980 2.006 1.00 1.66 H new ATOM 0 HE3 LYS A 103 -15.674 -5.429 0.358 1.00 1.66 H new ATOM 0 HZ1 LYS A 103 -17.928 -4.608 0.529 1.00 2.36 H new ATOM 0 HZ2 LYS A 103 -17.939 -6.242 0.068 1.00 2.36 H new ATOM 0 HZ3 LYS A 103 -18.320 -5.807 1.665 1.00 2.36 H new ATOM 1679 N LYS A 104 -12.835 -6.261 4.966 1.00 0.51 N ATOM 1680 CA LYS A 104 -13.120 -5.566 6.219 1.00 0.56 C ATOM 1681 C LYS A 104 -11.850 -4.917 6.747 1.00 0.55 C ATOM 1682 O LYS A 104 -11.894 -3.955 7.516 1.00 0.63 O ATOM 1683 CB LYS A 104 -13.688 -6.523 7.268 1.00 0.65 C ATOM 1684 CG LYS A 104 -15.167 -6.824 7.083 1.00 1.14 C ATOM 1685 CD LYS A 104 -15.797 -7.352 8.363 1.00 1.34 C ATOM 1686 CE LYS A 104 -15.202 -8.691 8.773 1.00 1.98 C ATOM 1687 NZ LYS A 104 -15.730 -9.155 10.085 1.00 2.57 N ATOM 0 H LYS A 104 -12.891 -7.278 5.022 1.00 0.51 H new ATOM 0 HA LYS A 104 -13.869 -4.799 6.020 1.00 0.56 H new ATOM 0 HB2 LYS A 104 -13.129 -7.458 7.235 1.00 0.65 H new ATOM 0 HB3 LYS A 104 -13.534 -6.095 8.259 1.00 0.65 H new ATOM 0 HG2 LYS A 104 -15.686 -5.919 6.768 1.00 1.14 H new ATOM 0 HG3 LYS A 104 -15.293 -7.557 6.286 1.00 1.14 H new ATOM 0 HD2 LYS A 104 -15.652 -6.628 9.165 1.00 1.34 H new ATOM 0 HD3 LYS A 104 -16.872 -7.460 8.222 1.00 1.34 H new ATOM 0 HE2 LYS A 104 -15.423 -9.436 8.009 1.00 1.98 H new ATOM 0 HE3 LYS A 104 -14.117 -8.604 8.829 1.00 1.98 H new ATOM 0 HZ1 LYS A 104 -15.300 -10.070 10.328 1.00 2.57 H new ATOM 0 HZ2 LYS A 104 -15.497 -8.457 10.820 1.00 2.57 H new ATOM 0 HZ3 LYS A 104 -16.763 -9.263 10.025 1.00 2.57 H new ATOM 1701 N LYS A 105 -10.716 -5.463 6.331 1.00 0.55 N ATOM 1702 CA LYS A 105 -9.423 -4.937 6.725 1.00 0.60 C ATOM 1703 C LYS A 105 -9.051 -3.788 5.795 1.00 0.52 C ATOM 1704 O LYS A 105 -8.348 -2.860 6.182 1.00 0.55 O ATOM 1705 CB LYS A 105 -8.360 -6.038 6.676 1.00 0.70 C ATOM 1706 CG LYS A 105 -8.555 -7.122 7.728 1.00 0.88 C ATOM 1707 CD LYS A 105 -7.615 -8.294 7.499 1.00 1.26 C ATOM 1708 CE LYS A 105 -7.524 -9.191 8.725 1.00 1.76 C ATOM 1709 NZ LYS A 105 -8.801 -9.901 9.001 1.00 2.44 N ATOM 0 H LYS A 105 -10.669 -6.276 5.716 1.00 0.55 H new ATOM 0 HA LYS A 105 -9.476 -4.569 7.750 1.00 0.60 H new ATOM 0 HB2 LYS A 105 -8.370 -6.497 5.687 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -7.376 -5.588 6.809 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -8.382 -6.704 8.720 1.00 0.88 H new ATOM 0 HG3 LYS A 105 -9.587 -7.472 7.705 1.00 0.88 H new ATOM 0 HD2 LYS A 105 -7.962 -8.877 6.646 1.00 1.26 H new ATOM 0 HD3 LYS A 105 -6.622 -7.921 7.247 1.00 1.26 H new ATOM 0 HE2 LYS A 105 -6.729 -9.922 8.579 1.00 1.76 H new ATOM 0 HE3 LYS A 105 -7.250 -8.590 9.592 1.00 1.76 H new ATOM 0 HZ1 LYS A 105 -8.676 -10.538 9.814 1.00 2.44 H new ATOM 0 HZ2 LYS A 105 -9.545 -9.207 9.217 1.00 2.44 H new ATOM 0 HZ3 LYS A 105 -9.077 -10.456 8.166 1.00 2.44 H new ATOM 1723 N LEU A 106 -9.552 -3.862 4.564 1.00 0.51 N ATOM 1724 CA LEU A 106 -9.311 -2.832 3.562 1.00 0.52 C ATOM 1725 C LEU A 106 -9.946 -1.519 4.007 1.00 0.45 C ATOM 1726 O LEU A 106 -9.316 -0.462 3.944 1.00 0.46 O ATOM 1727 CB LEU A 106 -9.879 -3.268 2.204 1.00 0.65 C ATOM 1728 CG LEU A 106 -9.920 -2.180 1.125 1.00 0.71 C ATOM 1729 CD1 LEU A 106 -8.518 -1.851 0.642 1.00 1.27 C ATOM 1730 CD2 LEU A 106 -10.799 -2.620 -0.035 1.00 1.04 C ATOM 0 H LEU A 106 -10.133 -4.634 4.236 1.00 0.51 H new ATOM 0 HA LEU A 106 -8.236 -2.685 3.455 1.00 0.52 H new ATOM 0 HB2 LEU A 106 -9.284 -4.102 1.832 1.00 0.65 H new ATOM 0 HB3 LEU A 106 -10.891 -3.642 2.357 1.00 0.65 H new ATOM 0 HG LEU A 106 -10.349 -1.277 1.560 1.00 0.71 H new ATOM 0 HD11 LEU A 106 -8.569 -1.077 -0.123 1.00 1.27 H new ATOM 0 HD12 LEU A 106 -7.919 -1.494 1.480 1.00 1.27 H new ATOM 0 HD13 LEU A 106 -8.058 -2.746 0.223 1.00 1.27 H new ATOM 0 HD21 LEU A 106 -10.819 -1.838 -0.794 1.00 1.04 H new ATOM 0 HD22 LEU A 106 -10.398 -3.536 -0.469 1.00 1.04 H new ATOM 0 HD23 LEU A 106 -11.812 -2.802 0.325 1.00 1.04 H new ATOM 1742 N SER A 107 -11.184 -1.597 4.486 1.00 0.45 N ATOM 1743 CA SER A 107 -11.902 -0.418 4.953 1.00 0.46 C ATOM 1744 C SER A 107 -11.202 0.195 6.165 1.00 0.47 C ATOM 1745 O SER A 107 -11.310 1.395 6.412 1.00 0.51 O ATOM 1746 CB SER A 107 -13.344 -0.791 5.304 1.00 0.54 C ATOM 1747 OG SER A 107 -13.416 -2.115 5.806 1.00 1.15 O ATOM 0 H SER A 107 -11.711 -2.467 4.561 1.00 0.45 H new ATOM 0 HA SER A 107 -11.912 0.323 4.154 1.00 0.46 H new ATOM 0 HB2 SER A 107 -13.734 -0.095 6.046 1.00 0.54 H new ATOM 0 HB3 SER A 107 -13.974 -0.699 4.419 1.00 0.54 H new ATOM 0 HG SER A 107 -12.676 -2.269 6.430 1.00 1.15 H new ATOM 1753 N ARG A 108 -10.468 -0.640 6.898 1.00 0.49 N ATOM 1754 CA ARG A 108 -9.741 -0.194 8.082 1.00 0.55 C ATOM 1755 C ARG A 108 -8.531 0.644 7.695 1.00 0.54 C ATOM 1756 O ARG A 108 -8.044 1.450 8.482 1.00 0.62 O ATOM 1757 CB ARG A 108 -9.279 -1.390 8.911 1.00 0.67 C ATOM 1758 CG ARG A 108 -10.373 -2.002 9.763 1.00 1.10 C ATOM 1759 CD ARG A 108 -9.837 -3.127 10.628 1.00 1.49 C ATOM 1760 NE ARG A 108 -10.715 -3.402 11.760 1.00 2.15 N ATOM 1761 CZ ARG A 108 -10.411 -3.115 13.026 1.00 2.81 C ATOM 1762 NH1 ARG A 108 -9.268 -2.502 13.319 1.00 3.15 N ATOM 1763 NH2 ARG A 108 -11.255 -3.434 14.000 1.00 3.60 N ATOM 0 H ARG A 108 -10.362 -1.633 6.690 1.00 0.49 H new ATOM 0 HA ARG A 108 -10.421 0.417 8.675 1.00 0.55 H new ATOM 0 HB2 ARG A 108 -8.883 -2.153 8.241 1.00 0.67 H new ATOM 0 HB3 ARG A 108 -8.459 -1.077 9.558 1.00 0.67 H new ATOM 0 HG2 ARG A 108 -10.816 -1.233 10.396 1.00 1.10 H new ATOM 0 HG3 ARG A 108 -11.167 -2.382 9.120 1.00 1.10 H new ATOM 0 HD2 ARG A 108 -9.727 -4.029 10.025 1.00 1.49 H new ATOM 0 HD3 ARG A 108 -8.844 -2.864 10.993 1.00 1.49 H new ATOM 0 HE ARG A 108 -11.616 -3.841 11.571 1.00 2.15 H new ATOM 0 HH11 ARG A 108 -8.619 -2.249 12.574 1.00 3.15 H new ATOM 0 HH12 ARG A 108 -9.040 -2.285 14.289 1.00 3.15 H new ATOM 0 HH21 ARG A 108 -12.136 -3.899 13.780 1.00 3.60 H new ATOM 0 HH22 ARG A 108 -11.022 -3.214 14.969 1.00 3.60 H new ATOM 1777 N VAL A 109 -8.042 0.434 6.487 1.00 0.53 N ATOM 1778 CA VAL A 109 -6.892 1.172 5.997 1.00 0.60 C ATOM 1779 C VAL A 109 -7.349 2.426 5.261 1.00 0.57 C ATOM 1780 O VAL A 109 -6.868 3.527 5.527 1.00 0.61 O ATOM 1781 CB VAL A 109 -6.030 0.307 5.054 1.00 0.72 C ATOM 1782 CG1 VAL A 109 -4.797 1.070 4.598 1.00 1.14 C ATOM 1783 CG2 VAL A 109 -5.632 -0.997 5.731 1.00 1.25 C ATOM 0 H VAL A 109 -8.424 -0.243 5.826 1.00 0.53 H new ATOM 0 HA VAL A 109 -6.285 1.452 6.858 1.00 0.60 H new ATOM 0 HB VAL A 109 -6.628 0.067 4.175 1.00 0.72 H new ATOM 0 HG11 VAL A 109 -4.204 0.440 3.934 1.00 1.14 H new ATOM 0 HG12 VAL A 109 -5.103 1.971 4.066 1.00 1.14 H new ATOM 0 HG13 VAL A 109 -4.198 1.346 5.466 1.00 1.14 H new ATOM 0 HG21 VAL A 109 -5.025 -1.591 5.048 1.00 1.25 H new ATOM 0 HG22 VAL A 109 -5.057 -0.779 6.631 1.00 1.25 H new ATOM 0 HG23 VAL A 109 -6.528 -1.556 5.999 1.00 1.25 H new ATOM 1793 N VAL A 110 -8.305 2.246 4.356 1.00 0.54 N ATOM 1794 CA VAL A 110 -8.846 3.345 3.559 1.00 0.59 C ATOM 1795 C VAL A 110 -9.400 4.471 4.430 1.00 0.54 C ATOM 1796 O VAL A 110 -9.127 5.647 4.176 1.00 0.54 O ATOM 1797 CB VAL A 110 -9.951 2.842 2.603 1.00 0.70 C ATOM 1798 CG1 VAL A 110 -10.624 4.000 1.881 1.00 1.11 C ATOM 1799 CG2 VAL A 110 -9.374 1.859 1.598 1.00 1.06 C ATOM 0 H VAL A 110 -8.726 1.339 4.154 1.00 0.54 H new ATOM 0 HA VAL A 110 -8.016 3.744 2.976 1.00 0.59 H new ATOM 0 HB VAL A 110 -10.706 2.333 3.202 1.00 0.70 H new ATOM 0 HG11 VAL A 110 -11.397 3.614 1.216 1.00 1.11 H new ATOM 0 HG12 VAL A 110 -11.076 4.671 2.612 1.00 1.11 H new ATOM 0 HG13 VAL A 110 -9.882 4.545 1.298 1.00 1.11 H new ATOM 0 HG21 VAL A 110 -10.165 1.514 0.932 1.00 1.06 H new ATOM 0 HG22 VAL A 110 -8.596 2.350 1.014 1.00 1.06 H new ATOM 0 HG23 VAL A 110 -8.947 1.007 2.127 1.00 1.06 H new ATOM 1809 N ASN A 111 -10.148 4.116 5.469 1.00 0.55 N ATOM 1810 CA ASN A 111 -10.741 5.118 6.351 1.00 0.59 C ATOM 1811 C ASN A 111 -9.663 5.937 7.064 1.00 0.57 C ATOM 1812 O ASN A 111 -9.794 7.149 7.212 1.00 0.60 O ATOM 1813 CB ASN A 111 -11.703 4.467 7.363 1.00 0.68 C ATOM 1814 CG ASN A 111 -11.058 4.113 8.694 1.00 1.02 C ATOM 1815 OD1 ASN A 111 -10.491 3.036 8.854 1.00 1.61 O ATOM 1816 ND2 ASN A 111 -11.153 5.014 9.658 1.00 1.74 N ATOM 0 H ASN A 111 -10.358 3.150 5.721 1.00 0.55 H new ATOM 0 HA ASN A 111 -11.321 5.802 5.732 1.00 0.59 H new ATOM 0 HB2 ASN A 111 -12.536 5.146 7.544 1.00 0.68 H new ATOM 0 HB3 ASN A 111 -12.120 3.562 6.921 1.00 0.68 H new ATOM 0 HD21 ASN A 111 -10.747 4.825 10.574 1.00 1.74 H new ATOM 0 HD22 ASN A 111 -11.633 5.897 9.485 1.00 1.74 H new ATOM 1823 N ILE A 112 -8.581 5.284 7.464 1.00 0.57 N ATOM 1824 CA ILE A 112 -7.499 5.968 8.157 1.00 0.61 C ATOM 1825 C ILE A 112 -6.735 6.883 7.200 1.00 0.57 C ATOM 1826 O ILE A 112 -6.390 8.011 7.548 1.00 0.62 O ATOM 1827 CB ILE A 112 -6.533 4.956 8.818 1.00 0.70 C ATOM 1828 CG1 ILE A 112 -7.247 4.227 9.961 1.00 0.94 C ATOM 1829 CG2 ILE A 112 -5.281 5.653 9.337 1.00 0.92 C ATOM 1830 CD1 ILE A 112 -6.377 3.222 10.686 1.00 1.21 C ATOM 0 H ILE A 112 -8.429 4.285 7.321 1.00 0.57 H new ATOM 0 HA ILE A 112 -7.942 6.580 8.943 1.00 0.61 H new ATOM 0 HB ILE A 112 -6.226 4.230 8.065 1.00 0.70 H new ATOM 0 HG12 ILE A 112 -7.609 4.963 10.678 1.00 0.94 H new ATOM 0 HG13 ILE A 112 -8.122 3.714 9.561 1.00 0.94 H new ATOM 0 HG21 ILE A 112 -4.620 4.918 9.797 1.00 0.92 H new ATOM 0 HG22 ILE A 112 -4.765 6.138 8.509 1.00 0.92 H new ATOM 0 HG23 ILE A 112 -5.562 6.402 10.078 1.00 0.92 H new ATOM 0 HD11 ILE A 112 -6.953 2.748 11.481 1.00 1.21 H new ATOM 0 HD12 ILE A 112 -6.035 2.462 9.983 1.00 1.21 H new ATOM 0 HD13 ILE A 112 -5.515 3.731 11.117 1.00 1.21 H new ATOM 1842 N LEU A 113 -6.519 6.406 5.979 1.00 0.51 N ATOM 1843 CA LEU A 113 -5.788 7.164 4.965 1.00 0.52 C ATOM 1844 C LEU A 113 -6.453 8.512 4.669 1.00 0.48 C ATOM 1845 O LEU A 113 -5.770 9.524 4.499 1.00 0.53 O ATOM 1846 CB LEU A 113 -5.672 6.349 3.673 1.00 0.56 C ATOM 1847 CG LEU A 113 -4.864 5.052 3.791 1.00 0.74 C ATOM 1848 CD1 LEU A 113 -4.992 4.223 2.523 1.00 1.33 C ATOM 1849 CD2 LEU A 113 -3.402 5.356 4.085 1.00 1.27 C ATOM 0 H LEU A 113 -6.842 5.491 5.664 1.00 0.51 H new ATOM 0 HA LEU A 113 -4.793 7.362 5.363 1.00 0.52 H new ATOM 0 HB2 LEU A 113 -6.676 6.103 3.326 1.00 0.56 H new ATOM 0 HB3 LEU A 113 -5.214 6.975 2.907 1.00 0.56 H new ATOM 0 HG LEU A 113 -5.268 4.473 4.621 1.00 0.74 H new ATOM 0 HD11 LEU A 113 -4.411 3.307 2.627 1.00 1.33 H new ATOM 0 HD12 LEU A 113 -6.040 3.972 2.357 1.00 1.33 H new ATOM 0 HD13 LEU A 113 -4.617 4.796 1.675 1.00 1.33 H new ATOM 0 HD21 LEU A 113 -2.845 4.422 4.165 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -2.986 5.958 3.277 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -3.326 5.905 5.023 1.00 1.27 H new ATOM 1861 N LYS A 114 -7.779 8.529 4.625 1.00 0.47 N ATOM 1862 CA LYS A 114 -8.506 9.763 4.337 1.00 0.50 C ATOM 1863 C LYS A 114 -8.681 10.620 5.585 1.00 0.52 C ATOM 1864 O LYS A 114 -8.532 11.839 5.531 1.00 0.57 O ATOM 1865 CB LYS A 114 -9.876 9.471 3.712 1.00 0.58 C ATOM 1866 CG LYS A 114 -10.705 8.447 4.476 1.00 0.69 C ATOM 1867 CD LYS A 114 -12.198 8.693 4.321 1.00 0.89 C ATOM 1868 CE LYS A 114 -12.618 8.746 2.860 1.00 1.33 C ATOM 1869 NZ LYS A 114 -14.093 8.658 2.712 1.00 1.69 N ATOM 0 H LYS A 114 -8.370 7.713 4.783 1.00 0.47 H new ATOM 0 HA LYS A 114 -7.904 10.320 3.619 1.00 0.50 H new ATOM 0 HB2 LYS A 114 -10.439 10.402 3.647 1.00 0.58 H new ATOM 0 HB3 LYS A 114 -9.729 9.115 2.692 1.00 0.58 H new ATOM 0 HG2 LYS A 114 -10.464 7.446 4.119 1.00 0.69 H new ATOM 0 HG3 LYS A 114 -10.440 8.481 5.533 1.00 0.69 H new ATOM 0 HD2 LYS A 114 -12.750 7.902 4.829 1.00 0.89 H new ATOM 0 HD3 LYS A 114 -12.463 9.631 4.809 1.00 0.89 H new ATOM 0 HE2 LYS A 114 -12.261 9.673 2.412 1.00 1.33 H new ATOM 0 HE3 LYS A 114 -12.148 7.927 2.316 1.00 1.33 H new ATOM 0 HZ1 LYS A 114 -14.344 8.697 1.703 1.00 1.69 H new ATOM 0 HZ2 LYS A 114 -14.430 7.762 3.118 1.00 1.69 H new ATOM 0 HZ3 LYS A 114 -14.540 9.454 3.211 1.00 1.69 H new ATOM 1883 N GLU A 115 -8.981 9.983 6.713 1.00 0.54 N ATOM 1884 CA GLU A 115 -9.195 10.705 7.964 1.00 0.61 C ATOM 1885 C GLU A 115 -7.916 11.367 8.469 1.00 0.61 C ATOM 1886 O GLU A 115 -7.961 12.441 9.070 1.00 0.71 O ATOM 1887 CB GLU A 115 -9.756 9.766 9.031 1.00 0.68 C ATOM 1888 CG GLU A 115 -11.206 9.385 8.794 1.00 0.98 C ATOM 1889 CD GLU A 115 -11.691 8.324 9.752 1.00 1.47 C ATOM 1890 OE1 GLU A 115 -11.360 8.407 10.955 1.00 1.99 O ATOM 1891 OE2 GLU A 115 -12.411 7.405 9.315 1.00 2.20 O ATOM 0 H GLU A 115 -9.081 8.971 6.787 1.00 0.54 H new ATOM 0 HA GLU A 115 -9.918 11.495 7.762 1.00 0.61 H new ATOM 0 HB2 GLU A 115 -9.150 8.860 9.063 1.00 0.68 H new ATOM 0 HB3 GLU A 115 -9.668 10.243 10.007 1.00 0.68 H new ATOM 0 HG2 GLU A 115 -11.832 10.272 8.893 1.00 0.98 H new ATOM 0 HG3 GLU A 115 -11.321 9.026 7.771 1.00 0.98 H new ATOM 1898 N ARG A 116 -6.779 10.729 8.229 1.00 0.57 N ATOM 1899 CA ARG A 116 -5.498 11.274 8.664 1.00 0.62 C ATOM 1900 C ARG A 116 -4.942 12.251 7.634 1.00 0.58 C ATOM 1901 O ARG A 116 -3.866 12.818 7.830 1.00 0.63 O ATOM 1902 CB ARG A 116 -4.493 10.147 8.900 1.00 0.67 C ATOM 1903 CG ARG A 116 -4.880 9.208 10.032 1.00 0.80 C ATOM 1904 CD ARG A 116 -4.174 9.567 11.327 1.00 1.19 C ATOM 1905 NE ARG A 116 -3.017 8.708 11.582 1.00 1.74 N ATOM 1906 CZ ARG A 116 -2.750 8.151 12.765 1.00 2.40 C ATOM 1907 NH1 ARG A 116 -3.537 8.387 13.806 1.00 2.79 N ATOM 1908 NH2 ARG A 116 -1.696 7.360 12.911 1.00 3.23 N ATOM 0 H ARG A 116 -6.716 9.837 7.738 1.00 0.57 H new ATOM 0 HA ARG A 116 -5.662 11.810 9.599 1.00 0.62 H new ATOM 0 HB2 ARG A 116 -4.386 9.570 7.982 1.00 0.67 H new ATOM 0 HB3 ARG A 116 -3.518 10.582 9.118 1.00 0.67 H new ATOM 0 HG2 ARG A 116 -5.959 9.246 10.183 1.00 0.80 H new ATOM 0 HG3 ARG A 116 -4.633 8.183 9.755 1.00 0.80 H new ATOM 0 HD2 ARG A 116 -3.850 10.607 11.286 1.00 1.19 H new ATOM 0 HD3 ARG A 116 -4.876 9.484 12.157 1.00 1.19 H new ATOM 0 HE ARG A 116 -2.377 8.524 10.810 1.00 1.74 H new ATOM 0 HH11 ARG A 116 -4.349 8.996 13.704 1.00 2.79 H new ATOM 0 HH12 ARG A 116 -3.330 7.960 14.709 1.00 2.79 H new ATOM 0 HH21 ARG A 116 -1.084 7.174 12.117 1.00 3.23 H new ATOM 0 HH22 ARG A 116 -1.497 6.937 13.818 1.00 3.23 H new ATOM 1922 N ASN A 117 -5.688 12.443 6.544 1.00 0.52 N ATOM 1923 CA ASN A 117 -5.283 13.341 5.459 1.00 0.52 C ATOM 1924 C ASN A 117 -3.912 12.936 4.927 1.00 0.50 C ATOM 1925 O ASN A 117 -2.988 13.750 4.849 1.00 0.57 O ATOM 1926 CB ASN A 117 -5.262 14.799 5.940 1.00 0.63 C ATOM 1927 CG ASN A 117 -5.457 15.800 4.810 1.00 1.18 C ATOM 1928 OD1 ASN A 117 -5.262 15.487 3.636 1.00 2.00 O ATOM 1929 ND2 ASN A 117 -5.840 17.020 5.161 1.00 1.74 N ATOM 0 H ASN A 117 -6.585 11.983 6.388 1.00 0.52 H new ATOM 0 HA ASN A 117 -6.011 13.259 4.652 1.00 0.52 H new ATOM 0 HB2 ASN A 117 -6.046 14.942 6.684 1.00 0.63 H new ATOM 0 HB3 ASN A 117 -4.312 14.999 6.435 1.00 0.63 H new ATOM 0 HD21 ASN A 117 -5.982 17.735 4.448 1.00 1.74 H new ATOM 0 HD22 ASN A 117 -5.992 17.244 6.144 1.00 1.74 H new ATOM 1936 N ILE A 118 -3.778 11.661 4.585 1.00 0.46 N ATOM 1937 CA ILE A 118 -2.522 11.137 4.072 1.00 0.48 C ATOM 1938 C ILE A 118 -2.335 11.534 2.613 1.00 0.47 C ATOM 1939 O ILE A 118 -1.287 12.050 2.228 1.00 0.54 O ATOM 1940 CB ILE A 118 -2.452 9.599 4.202 1.00 0.50 C ATOM 1941 CG1 ILE A 118 -2.652 9.170 5.661 1.00 0.54 C ATOM 1942 CG2 ILE A 118 -1.126 9.072 3.670 1.00 0.55 C ATOM 1943 CD1 ILE A 118 -1.612 9.726 6.613 1.00 0.61 C ATOM 0 H ILE A 118 -4.526 10.971 4.654 1.00 0.46 H new ATOM 0 HA ILE A 118 -1.721 11.568 4.672 1.00 0.48 H new ATOM 0 HB ILE A 118 -3.256 9.171 3.603 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -3.640 9.490 5.991 1.00 0.54 H new ATOM 0 HG13 ILE A 118 -2.635 8.081 5.715 1.00 0.54 H new ATOM 0 HG21 ILE A 118 -1.099 7.987 3.771 1.00 0.55 H new ATOM 0 HG22 ILE A 118 -1.023 9.341 2.619 1.00 0.55 H new ATOM 0 HG23 ILE A 118 -0.306 9.510 4.239 1.00 0.55 H new ATOM 0 HD11 ILE A 118 -1.822 9.378 7.624 1.00 0.61 H new ATOM 0 HD12 ILE A 118 -0.622 9.385 6.310 1.00 0.61 H new ATOM 0 HD13 ILE A 118 -1.643 10.815 6.590 1.00 0.61 H new ATOM 1955 N PHE A 119 -3.363 11.309 1.813 1.00 0.45 N ATOM 1956 CA PHE A 119 -3.312 11.643 0.397 1.00 0.47 C ATOM 1957 C PHE A 119 -4.075 12.935 0.130 1.00 0.49 C ATOM 1958 O PHE A 119 -4.743 13.465 1.020 1.00 0.51 O ATOM 1959 CB PHE A 119 -3.905 10.513 -0.450 1.00 0.48 C ATOM 1960 CG PHE A 119 -3.184 9.204 -0.318 1.00 0.43 C ATOM 1961 CD1 PHE A 119 -1.839 9.099 -0.632 1.00 1.12 C ATOM 1962 CD2 PHE A 119 -3.856 8.077 0.118 1.00 1.26 C ATOM 1963 CE1 PHE A 119 -1.179 7.890 -0.511 1.00 1.13 C ATOM 1964 CE2 PHE A 119 -3.203 6.869 0.239 1.00 1.26 C ATOM 1965 CZ PHE A 119 -1.863 6.774 -0.075 1.00 0.44 C ATOM 0 H PHE A 119 -4.244 10.896 2.118 1.00 0.45 H new ATOM 0 HA PHE A 119 -2.267 11.778 0.120 1.00 0.47 H new ATOM 0 HB2 PHE A 119 -4.948 10.371 -0.167 1.00 0.48 H new ATOM 0 HB3 PHE A 119 -3.897 10.816 -1.497 1.00 0.48 H new ATOM 0 HD1 PHE A 119 -1.300 9.970 -0.975 1.00 1.12 H new ATOM 0 HD2 PHE A 119 -4.905 8.144 0.367 1.00 1.26 H new ATOM 0 HE1 PHE A 119 -0.130 7.819 -0.757 1.00 1.13 H new ATOM 0 HE2 PHE A 119 -3.741 5.997 0.580 1.00 1.26 H new ATOM 0 HZ PHE A 119 -1.351 5.828 0.020 1.00 0.44 H new ATOM 1975 N SER A 120 -3.964 13.433 -1.093 1.00 0.51 N ATOM 1976 CA SER A 120 -4.649 14.653 -1.490 1.00 0.55 C ATOM 1977 C SER A 120 -6.158 14.410 -1.583 1.00 0.50 C ATOM 1978 O SER A 120 -6.599 13.268 -1.741 1.00 0.48 O ATOM 1979 CB SER A 120 -4.100 15.122 -2.835 1.00 0.63 C ATOM 1980 OG SER A 120 -3.005 14.315 -3.241 1.00 1.30 O ATOM 0 H SER A 120 -3.403 13.008 -1.831 1.00 0.51 H new ATOM 0 HA SER A 120 -4.476 15.426 -0.741 1.00 0.55 H new ATOM 0 HB2 SER A 120 -4.887 15.081 -3.588 1.00 0.63 H new ATOM 0 HB3 SER A 120 -3.783 16.162 -2.761 1.00 0.63 H new ATOM 0 HG SER A 120 -2.669 14.631 -4.106 1.00 1.30 H new ATOM 1986 N LYS A 121 -6.939 15.485 -1.504 1.00 0.56 N ATOM 1987 CA LYS A 121 -8.398 15.389 -1.561 1.00 0.56 C ATOM 1988 C LYS A 121 -8.866 14.709 -2.844 1.00 0.53 C ATOM 1989 O LYS A 121 -9.794 13.903 -2.823 1.00 0.52 O ATOM 1990 CB LYS A 121 -9.028 16.779 -1.446 1.00 0.70 C ATOM 1991 CG LYS A 121 -9.792 16.995 -0.147 1.00 1.23 C ATOM 1992 CD LYS A 121 -11.080 16.183 -0.111 1.00 1.78 C ATOM 1993 CE LYS A 121 -12.196 16.859 -0.895 1.00 2.37 C ATOM 1994 NZ LYS A 121 -13.434 16.037 -0.929 1.00 2.85 N ATOM 0 H LYS A 121 -6.586 16.436 -1.400 1.00 0.56 H new ATOM 0 HA LYS A 121 -8.721 14.777 -0.719 1.00 0.56 H new ATOM 0 HB2 LYS A 121 -8.244 17.532 -1.526 1.00 0.70 H new ATOM 0 HB3 LYS A 121 -9.705 16.933 -2.286 1.00 0.70 H new ATOM 0 HG2 LYS A 121 -9.162 16.715 0.697 1.00 1.23 H new ATOM 0 HG3 LYS A 121 -10.026 18.054 -0.034 1.00 1.23 H new ATOM 0 HD2 LYS A 121 -10.896 15.191 -0.523 1.00 1.78 H new ATOM 0 HD3 LYS A 121 -11.394 16.045 0.924 1.00 1.78 H new ATOM 0 HE2 LYS A 121 -12.417 17.828 -0.447 1.00 2.37 H new ATOM 0 HE3 LYS A 121 -11.859 17.048 -1.914 1.00 2.37 H new ATOM 0 HZ1 LYS A 121 -14.264 16.661 -0.991 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -13.411 15.409 -1.757 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -13.495 15.465 -0.062 1.00 2.85 H new ATOM 2008 N GLN A 122 -8.212 15.024 -3.954 1.00 0.60 N ATOM 2009 CA GLN A 122 -8.567 14.440 -5.244 1.00 0.67 C ATOM 2010 C GLN A 122 -8.275 12.938 -5.269 1.00 0.60 C ATOM 2011 O GLN A 122 -8.939 12.180 -5.974 1.00 0.73 O ATOM 2012 CB GLN A 122 -7.811 15.147 -6.377 1.00 0.80 C ATOM 2013 CG GLN A 122 -6.300 14.969 -6.314 1.00 1.48 C ATOM 2014 CD GLN A 122 -5.561 15.792 -7.352 1.00 2.20 C ATOM 2015 OE1 GLN A 122 -4.540 15.362 -7.889 1.00 2.95 O ATOM 2016 NE2 GLN A 122 -6.065 16.981 -7.636 1.00 2.69 N ATOM 0 H GLN A 122 -7.432 15.681 -3.989 1.00 0.60 H new ATOM 0 HA GLN A 122 -9.638 14.580 -5.393 1.00 0.67 H new ATOM 0 HB2 GLN A 122 -8.172 14.769 -7.333 1.00 0.80 H new ATOM 0 HB3 GLN A 122 -8.043 16.212 -6.347 1.00 0.80 H new ATOM 0 HG2 GLN A 122 -5.948 15.247 -5.321 1.00 1.48 H new ATOM 0 HG3 GLN A 122 -6.058 13.916 -6.454 1.00 1.48 H new ATOM 0 HE21 GLN A 122 -6.913 17.300 -7.168 1.00 2.69 H new ATOM 0 HE22 GLN A 122 -5.605 17.579 -8.323 1.00 2.69 H new ATOM 2025 N VAL A 123 -7.298 12.511 -4.475 1.00 0.51 N ATOM 2026 CA VAL A 123 -6.917 11.108 -4.421 1.00 0.53 C ATOM 2027 C VAL A 123 -7.862 10.313 -3.527 1.00 0.48 C ATOM 2028 O VAL A 123 -8.402 9.286 -3.942 1.00 0.48 O ATOM 2029 CB VAL A 123 -5.470 10.934 -3.912 1.00 0.67 C ATOM 2030 CG1 VAL A 123 -5.105 9.460 -3.812 1.00 0.95 C ATOM 2031 CG2 VAL A 123 -4.496 11.666 -4.821 1.00 1.28 C ATOM 0 H VAL A 123 -6.757 13.119 -3.860 1.00 0.51 H new ATOM 0 HA VAL A 123 -6.981 10.725 -5.440 1.00 0.53 H new ATOM 0 HB VAL A 123 -5.404 11.367 -2.914 1.00 0.67 H new ATOM 0 HG11 VAL A 123 -4.081 9.362 -3.451 1.00 0.95 H new ATOM 0 HG12 VAL A 123 -5.783 8.964 -3.118 1.00 0.95 H new ATOM 0 HG13 VAL A 123 -5.189 8.997 -4.795 1.00 0.95 H new ATOM 0 HG21 VAL A 123 -3.480 11.533 -4.448 1.00 1.28 H new ATOM 0 HG22 VAL A 123 -4.567 11.262 -5.831 1.00 1.28 H new ATOM 0 HG23 VAL A 123 -4.741 12.728 -4.837 1.00 1.28 H new ATOM 2041 N VAL A 124 -8.077 10.797 -2.308 1.00 0.48 N ATOM 2042 CA VAL A 124 -8.955 10.110 -1.364 1.00 0.49 C ATOM 2043 C VAL A 124 -10.382 10.027 -1.900 1.00 0.47 C ATOM 2044 O VAL A 124 -11.106 9.074 -1.617 1.00 0.50 O ATOM 2045 CB VAL A 124 -8.956 10.779 0.030 1.00 0.56 C ATOM 2046 CG1 VAL A 124 -7.575 10.696 0.661 1.00 1.23 C ATOM 2047 CG2 VAL A 124 -9.415 12.228 -0.051 1.00 1.11 C ATOM 0 H VAL A 124 -7.659 11.656 -1.951 1.00 0.48 H new ATOM 0 HA VAL A 124 -8.558 9.101 -1.250 1.00 0.49 H new ATOM 0 HB VAL A 124 -9.663 10.238 0.659 1.00 0.56 H new ATOM 0 HG11 VAL A 124 -7.594 11.172 1.642 1.00 1.23 H new ATOM 0 HG12 VAL A 124 -7.287 9.650 0.770 1.00 1.23 H new ATOM 0 HG13 VAL A 124 -6.853 11.206 0.024 1.00 1.23 H new ATOM 0 HG21 VAL A 124 -9.404 12.669 0.946 1.00 1.11 H new ATOM 0 HG22 VAL A 124 -8.743 12.787 -0.702 1.00 1.11 H new ATOM 0 HG23 VAL A 124 -10.427 12.267 -0.454 1.00 1.11 H new ATOM 2057 N ASN A 125 -10.768 11.018 -2.699 1.00 0.47 N ATOM 2058 CA ASN A 125 -12.103 11.054 -3.285 1.00 0.50 C ATOM 2059 C ASN A 125 -12.238 10.003 -4.379 1.00 0.49 C ATOM 2060 O ASN A 125 -13.336 9.514 -4.652 1.00 0.55 O ATOM 2061 CB ASN A 125 -12.403 12.434 -3.868 1.00 0.58 C ATOM 2062 CG ASN A 125 -13.539 13.150 -3.159 1.00 1.10 C ATOM 2063 OD1 ASN A 125 -13.544 14.376 -3.066 1.00 1.74 O ATOM 2064 ND2 ASN A 125 -14.514 12.405 -2.662 1.00 1.74 N ATOM 0 H ASN A 125 -10.174 11.807 -2.955 1.00 0.47 H new ATOM 0 HA ASN A 125 -12.819 10.840 -2.492 1.00 0.50 H new ATOM 0 HB2 ASN A 125 -11.504 13.048 -3.812 1.00 0.58 H new ATOM 0 HB3 ASN A 125 -12.652 12.329 -4.924 1.00 0.58 H new ATOM 0 HD21 ASN A 125 -15.300 12.846 -2.185 1.00 1.74 H new ATOM 0 HD22 ASN A 125 -14.479 11.390 -2.756 1.00 1.74 H new ATOM 2071 N ASP A 126 -11.118 9.659 -5.002 1.00 0.47 N ATOM 2072 CA ASP A 126 -11.112 8.664 -6.066 1.00 0.48 C ATOM 2073 C ASP A 126 -11.159 7.265 -5.471 1.00 0.45 C ATOM 2074 O ASP A 126 -11.804 6.367 -6.013 1.00 0.48 O ATOM 2075 CB ASP A 126 -9.868 8.811 -6.945 1.00 0.52 C ATOM 2076 CG ASP A 126 -10.102 8.303 -8.354 1.00 0.76 C ATOM 2077 OD1 ASP A 126 -9.957 7.089 -8.593 1.00 1.44 O ATOM 2078 OD2 ASP A 126 -10.461 9.121 -9.224 1.00 1.43 O ATOM 0 H ASP A 126 -10.202 10.054 -4.789 1.00 0.47 H new ATOM 0 HA ASP A 126 -11.994 8.824 -6.686 1.00 0.48 H new ATOM 0 HB2 ASP A 126 -9.573 9.860 -6.983 1.00 0.52 H new ATOM 0 HB3 ASP A 126 -9.040 8.263 -6.495 1.00 0.52 H new ATOM 2083 N ILE A 127 -10.487 7.094 -4.342 1.00 0.42 N ATOM 2084 CA ILE A 127 -10.443 5.809 -3.658 1.00 0.42 C ATOM 2085 C ILE A 127 -11.834 5.390 -3.188 1.00 0.43 C ATOM 2086 O ILE A 127 -12.314 4.306 -3.529 1.00 0.45 O ATOM 2087 CB ILE A 127 -9.494 5.853 -2.440 1.00 0.42 C ATOM 2088 CG1 ILE A 127 -8.075 6.230 -2.877 1.00 0.44 C ATOM 2089 CG2 ILE A 127 -9.491 4.513 -1.715 1.00 0.47 C ATOM 2090 CD1 ILE A 127 -7.122 6.450 -1.720 1.00 0.46 C ATOM 0 H ILE A 127 -9.961 7.834 -3.877 1.00 0.42 H new ATOM 0 HA ILE A 127 -10.068 5.080 -4.376 1.00 0.42 H new ATOM 0 HB ILE A 127 -9.856 6.616 -1.751 1.00 0.42 H new ATOM 0 HG12 ILE A 127 -7.680 5.442 -3.517 1.00 0.44 H new ATOM 0 HG13 ILE A 127 -8.118 7.138 -3.479 1.00 0.44 H new ATOM 0 HG21 ILE A 127 -8.817 4.563 -0.860 1.00 0.47 H new ATOM 0 HG22 ILE A 127 -10.499 4.284 -1.369 1.00 0.47 H new ATOM 0 HG23 ILE A 127 -9.155 3.731 -2.396 1.00 0.47 H new ATOM 0 HD11 ILE A 127 -6.137 6.714 -2.105 1.00 0.46 H new ATOM 0 HD12 ILE A 127 -7.494 7.259 -1.091 1.00 0.46 H new ATOM 0 HD13 ILE A 127 -7.048 5.536 -1.130 1.00 0.46 H new ATOM 2102 N GLU A 128 -12.487 6.262 -2.427 1.00 0.46 N ATOM 2103 CA GLU A 128 -13.814 5.969 -1.893 1.00 0.51 C ATOM 2104 C GLU A 128 -14.837 5.751 -3.005 1.00 0.52 C ATOM 2105 O GLU A 128 -15.692 4.869 -2.904 1.00 0.55 O ATOM 2106 CB GLU A 128 -14.285 7.088 -0.960 1.00 0.62 C ATOM 2107 CG GLU A 128 -14.170 8.481 -1.554 1.00 1.04 C ATOM 2108 CD GLU A 128 -15.024 9.495 -0.826 1.00 1.37 C ATOM 2109 OE1 GLU A 128 -14.866 9.642 0.403 1.00 1.75 O ATOM 2110 OE2 GLU A 128 -15.866 10.140 -1.476 1.00 2.05 O ATOM 0 H GLU A 128 -12.120 7.177 -2.166 1.00 0.46 H new ATOM 0 HA GLU A 128 -13.733 5.043 -1.324 1.00 0.51 H new ATOM 0 HB2 GLU A 128 -15.325 6.906 -0.688 1.00 0.62 H new ATOM 0 HB3 GLU A 128 -13.703 7.048 -0.040 1.00 0.62 H new ATOM 0 HG2 GLU A 128 -13.128 8.800 -1.524 1.00 1.04 H new ATOM 0 HG3 GLU A 128 -14.464 8.450 -2.603 1.00 1.04 H new ATOM 2117 N ARG A 129 -14.743 6.536 -4.077 1.00 0.55 N ATOM 2118 CA ARG A 129 -15.686 6.406 -5.181 1.00 0.64 C ATOM 2119 C ARG A 129 -15.485 5.082 -5.909 1.00 0.59 C ATOM 2120 O ARG A 129 -16.432 4.522 -6.451 1.00 0.62 O ATOM 2121 CB ARG A 129 -15.587 7.587 -6.159 1.00 0.77 C ATOM 2122 CG ARG A 129 -14.465 7.476 -7.183 1.00 1.07 C ATOM 2123 CD ARG A 129 -14.575 8.557 -8.244 1.00 1.55 C ATOM 2124 NE ARG A 129 -13.393 8.615 -9.102 1.00 2.26 N ATOM 2125 CZ ARG A 129 -13.428 8.777 -10.427 1.00 3.05 C ATOM 2126 NH1 ARG A 129 -14.588 8.861 -11.068 1.00 3.37 N ATOM 2127 NH2 ARG A 129 -12.296 8.859 -11.107 1.00 3.98 N ATOM 0 H ARG A 129 -14.034 7.258 -4.202 1.00 0.55 H new ATOM 0 HA ARG A 129 -16.690 6.419 -4.756 1.00 0.64 H new ATOM 0 HB2 ARG A 129 -16.535 7.682 -6.688 1.00 0.77 H new ATOM 0 HB3 ARG A 129 -15.448 8.504 -5.586 1.00 0.77 H new ATOM 0 HG2 ARG A 129 -13.502 7.555 -6.679 1.00 1.07 H new ATOM 0 HG3 ARG A 129 -14.498 6.495 -7.656 1.00 1.07 H new ATOM 0 HD2 ARG A 129 -15.457 8.373 -8.857 1.00 1.55 H new ATOM 0 HD3 ARG A 129 -14.718 9.524 -7.761 1.00 1.55 H new ATOM 0 HE ARG A 129 -12.479 8.526 -8.658 1.00 2.26 H new ATOM 0 HH11 ARG A 129 -15.463 8.802 -10.548 1.00 3.37 H new ATOM 0 HH12 ARG A 129 -14.603 8.985 -12.080 1.00 3.37 H new ATOM 0 HH21 ARG A 129 -11.402 8.798 -10.619 1.00 3.98 H new ATOM 0 HH22 ARG A 129 -12.317 8.983 -12.119 1.00 3.98 H new ATOM 2141 N SER A 130 -14.259 4.572 -5.901 1.00 0.56 N ATOM 2142 CA SER A 130 -13.964 3.304 -6.556 1.00 0.57 C ATOM 2143 C SER A 130 -14.560 2.150 -5.759 1.00 0.54 C ATOM 2144 O SER A 130 -15.111 1.209 -6.328 1.00 0.60 O ATOM 2145 CB SER A 130 -12.453 3.123 -6.724 1.00 0.58 C ATOM 2146 OG SER A 130 -11.913 4.149 -7.538 1.00 0.70 O ATOM 0 H SER A 130 -13.458 5.014 -5.451 1.00 0.56 H new ATOM 0 HA SER A 130 -14.416 3.310 -7.548 1.00 0.57 H new ATOM 0 HB2 SER A 130 -11.970 3.135 -5.747 1.00 0.58 H new ATOM 0 HB3 SER A 130 -12.246 2.151 -7.171 1.00 0.58 H new ATOM 0 HG SER A 130 -11.737 4.942 -6.990 1.00 0.70 H new ATOM 2152 N LEU A 131 -14.461 2.239 -4.439 1.00 0.49 N ATOM 2153 CA LEU A 131 -15.008 1.212 -3.562 1.00 0.50 C ATOM 2154 C LEU A 131 -16.525 1.159 -3.707 1.00 0.52 C ATOM 2155 O LEU A 131 -17.128 0.082 -3.728 1.00 0.56 O ATOM 2156 CB LEU A 131 -14.623 1.498 -2.106 1.00 0.52 C ATOM 2157 CG LEU A 131 -13.393 0.748 -1.586 1.00 0.83 C ATOM 2158 CD1 LEU A 131 -12.163 1.098 -2.410 1.00 1.28 C ATOM 2159 CD2 LEU A 131 -13.165 1.071 -0.117 1.00 1.33 C ATOM 0 H LEU A 131 -14.007 3.012 -3.952 1.00 0.49 H new ATOM 0 HA LEU A 131 -14.592 0.246 -3.847 1.00 0.50 H new ATOM 0 HB2 LEU A 131 -14.445 2.568 -2.000 1.00 0.52 H new ATOM 0 HB3 LEU A 131 -15.473 1.251 -1.469 1.00 0.52 H new ATOM 0 HG LEU A 131 -13.571 -0.323 -1.683 1.00 0.83 H new ATOM 0 HD11 LEU A 131 -11.300 0.555 -2.024 1.00 1.28 H new ATOM 0 HD12 LEU A 131 -12.331 0.820 -3.451 1.00 1.28 H new ATOM 0 HD13 LEU A 131 -11.975 2.170 -2.346 1.00 1.28 H new ATOM 0 HD21 LEU A 131 -12.288 0.532 0.242 1.00 1.33 H new ATOM 0 HD22 LEU A 131 -13.005 2.143 -0.001 1.00 1.33 H new ATOM 0 HD23 LEU A 131 -14.038 0.769 0.462 1.00 1.33 H new ATOM 2171 N ALA A 132 -17.129 2.335 -3.829 1.00 0.56 N ATOM 2172 CA ALA A 132 -18.571 2.452 -3.982 1.00 0.62 C ATOM 2173 C ALA A 132 -19.016 2.014 -5.375 1.00 0.64 C ATOM 2174 O ALA A 132 -20.014 1.309 -5.524 1.00 0.69 O ATOM 2175 CB ALA A 132 -19.009 3.883 -3.711 1.00 0.68 C ATOM 0 H ALA A 132 -16.636 3.228 -3.825 1.00 0.56 H new ATOM 0 HA ALA A 132 -19.046 1.791 -3.257 1.00 0.62 H new ATOM 0 HB1 ALA A 132 -20.090 3.961 -3.828 1.00 0.68 H new ATOM 0 HB2 ALA A 132 -18.733 4.162 -2.694 1.00 0.68 H new ATOM 0 HB3 ALA A 132 -18.518 4.553 -4.417 1.00 0.68 H new ATOM 2181 N ALA A 133 -18.260 2.423 -6.389 1.00 0.66 N ATOM 2182 CA ALA A 133 -18.575 2.082 -7.772 1.00 0.73 C ATOM 2183 C ALA A 133 -18.454 0.582 -8.013 1.00 0.73 C ATOM 2184 O ALA A 133 -19.090 0.035 -8.915 1.00 0.84 O ATOM 2185 CB ALA A 133 -17.666 2.840 -8.724 1.00 0.84 C ATOM 0 H ALA A 133 -17.422 2.993 -6.278 1.00 0.66 H new ATOM 0 HA ALA A 133 -19.608 2.373 -7.961 1.00 0.73 H new ATOM 0 HB1 ALA A 133 -17.913 2.575 -9.752 1.00 0.84 H new ATOM 0 HB2 ALA A 133 -17.804 3.912 -8.583 1.00 0.84 H new ATOM 0 HB3 ALA A 133 -16.628 2.578 -8.522 1.00 0.84 H new ATOM 2191 N ALA A 134 -17.631 -0.074 -7.206 1.00 0.68 N ATOM 2192 CA ALA A 134 -17.429 -1.512 -7.315 1.00 0.74 C ATOM 2193 C ALA A 134 -18.653 -2.270 -6.808 1.00 0.84 C ATOM 2194 O ALA A 134 -18.799 -3.465 -7.061 1.00 1.12 O ATOM 2195 CB ALA A 134 -16.189 -1.929 -6.540 1.00 0.72 C ATOM 0 H ALA A 134 -17.090 0.370 -6.465 1.00 0.68 H new ATOM 0 HA ALA A 134 -17.285 -1.761 -8.367 1.00 0.74 H new ATOM 0 HB1 ALA A 134 -16.049 -3.006 -6.629 1.00 0.72 H new ATOM 0 HB2 ALA A 134 -15.317 -1.415 -6.945 1.00 0.72 H new ATOM 0 HB3 ALA A 134 -16.311 -1.665 -5.489 1.00 0.72 H new