USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 602 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 37 ASN : amide:sc= 0 X(o=0.82,f=0.63) USER MOD Set 1.2: A 38 THR OG1 : rot -18:sc= 0.815 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 180:sc= 0.816 (180deg=-0.0391) USER MOD Set 2.2: A 27 THR OG1 : rot 180:sc= 0.756 USER MOD Set 3.1: A 22 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.00895) USER MOD Set 3.2: A 23 ASN : amide:sc= -1.32! K(o=-1.3!,f=-2) USER MOD Set 4.1: A 9 THR OG1 : rot -72:sc= 2.11 USER MOD Set 4.2: A 49 SER OG : rot 148:sc= 1.07 USER MOD Single : A 8 THR OG1 : rot 26:sc= 0.549 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0335 USER MOD Single : A 15 ASN : amide:sc= 0.669 K(o=0.67,f=-2.7!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 17 THR OG1 : rot 135:sc= 1.57 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0939 K(o=-0.094,f=-0.75) USER MOD Single : A 29 ASN : amide:sc= 0.179 K(o=0.18,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= 2.07 (180deg=1.76) USER MOD Single : A 34 GLN : amide:sc= -0.793 K(o=-0.79,f=-0.02) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.055) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 147:sc= -0.0379 (180deg=-0.95) USER MOD Single : A 57 MET CE :methyl 149:sc= -0.653 (180deg=-1.64) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -171:sc= 1.68 USER MOD Single : A 64 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.0096) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 140:sc=-0.00545 USER MOD Single : A 90 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.055) USER MOD Single : A 94 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.0023) USER MOD Single : A 99 GLN : amide:sc= -0.088 X(o=-0.088,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 -0.309 17.869 0.987 1.00 5.53 N ATOM 83 CA THR A 8 -0.358 16.564 0.316 1.00 11.32 C ATOM 84 C THR A 8 -0.202 15.401 1.323 1.00 21.25 C ATOM 85 O THR A 8 0.193 15.614 2.472 1.00 70.14 O ATOM 86 CB THR A 8 0.702 16.541 -0.811 1.00 23.22 C ATOM 87 OG1 THR A 8 0.829 17.830 -1.398 1.00 5.14 O ATOM 88 CG2 THR A 8 0.335 15.599 -1.960 1.00 74.04 C ATOM 0 HA THR A 8 -1.338 16.418 -0.138 1.00 11.32 H new ATOM 0 HB THR A 8 1.621 16.204 -0.332 1.00 23.22 H new ATOM 0 HG1 THR A 8 0.563 18.513 -0.748 1.00 5.14 H new ATOM 0 HG21 THR A 8 1.118 15.628 -2.718 1.00 74.04 H new ATOM 0 HG22 THR A 8 0.236 14.582 -1.579 1.00 74.04 H new ATOM 0 HG23 THR A 8 -0.610 15.915 -2.402 1.00 74.04 H new ATOM 96 N THR A 9 -0.520 14.175 0.892 1.00 23.33 N ATOM 97 CA THR A 9 -0.497 12.941 1.686 1.00 12.12 C ATOM 98 C THR A 9 0.852 12.221 1.627 1.00 44.21 C ATOM 99 O THR A 9 1.800 12.677 0.978 1.00 34.44 O ATOM 100 CB THR A 9 -1.635 12.009 1.219 1.00 64.43 C ATOM 101 OG1 THR A 9 -1.822 12.022 -0.189 1.00 41.13 O ATOM 102 CG2 THR A 9 -2.937 12.403 1.886 1.00 32.43 C ATOM 0 H THR A 9 -0.816 14.008 -0.070 1.00 23.33 H new ATOM 0 HA THR A 9 -0.649 13.217 2.729 1.00 12.12 H new ATOM 0 HB THR A 9 -1.342 10.999 1.506 1.00 64.43 H new ATOM 0 HG1 THR A 9 -2.234 12.870 -0.456 1.00 41.13 H new ATOM 0 HG21 THR A 9 -3.734 11.739 1.550 1.00 32.43 H new ATOM 0 HG22 THR A 9 -2.830 12.323 2.968 1.00 32.43 H new ATOM 0 HG23 THR A 9 -3.185 13.431 1.621 1.00 32.43 H new ATOM 110 N THR A 10 0.961 11.075 2.305 1.00 23.13 N ATOM 111 CA THR A 10 2.089 10.162 2.179 1.00 44.20 C ATOM 112 C THR A 10 1.595 8.708 2.252 1.00 11.45 C ATOM 113 O THR A 10 0.487 8.470 2.726 1.00 61.23 O ATOM 114 CB THR A 10 3.094 10.547 3.281 1.00 11.23 C ATOM 115 OG1 THR A 10 3.539 11.867 3.010 1.00 43.40 O ATOM 116 CG2 THR A 10 4.327 9.652 3.387 1.00 30.05 C ATOM 0 H THR A 10 0.254 10.755 2.966 1.00 23.13 H new ATOM 0 HA THR A 10 2.592 10.240 1.215 1.00 44.20 H new ATOM 0 HB THR A 10 2.564 10.440 4.228 1.00 11.23 H new ATOM 0 HG1 THR A 10 4.181 12.143 3.697 1.00 43.40 H new ATOM 0 HG21 THR A 10 4.968 10.010 4.192 1.00 30.05 H new ATOM 0 HG22 THR A 10 4.017 8.629 3.598 1.00 30.05 H new ATOM 0 HG23 THR A 10 4.877 9.678 2.446 1.00 30.05 H new ATOM 124 N ILE A 11 2.376 7.734 1.772 1.00 3.42 N ATOM 125 CA ILE A 11 2.040 6.308 1.789 1.00 71.00 C ATOM 126 C ILE A 11 3.271 5.551 2.307 1.00 62.12 C ATOM 127 O ILE A 11 4.406 5.972 2.063 1.00 33.02 O ATOM 128 CB ILE A 11 1.612 5.874 0.363 1.00 5.54 C ATOM 129 CG1 ILE A 11 0.318 6.577 -0.107 1.00 12.11 C ATOM 130 CG2 ILE A 11 1.392 4.362 0.194 1.00 52.43 C ATOM 131 CD1 ILE A 11 0.526 7.291 -1.436 1.00 34.05 C ATOM 0 H ILE A 11 3.285 7.923 1.349 1.00 3.42 H new ATOM 0 HA ILE A 11 1.201 6.085 2.448 1.00 71.00 H new ATOM 0 HB ILE A 11 2.463 6.175 -0.248 1.00 5.54 H new ATOM 0 HG12 ILE A 11 -0.481 5.843 -0.208 1.00 12.11 H new ATOM 0 HG13 ILE A 11 -0.003 7.295 0.648 1.00 12.11 H new ATOM 0 HG21 ILE A 11 1.095 4.150 -0.833 1.00 52.43 H new ATOM 0 HG22 ILE A 11 2.317 3.832 0.421 1.00 52.43 H new ATOM 0 HG23 ILE A 11 0.607 4.030 0.874 1.00 52.43 H new ATOM 0 HD11 ILE A 11 -0.403 7.775 -1.738 1.00 34.05 H new ATOM 0 HD12 ILE A 11 1.308 8.043 -1.327 1.00 34.05 H new ATOM 0 HD13 ILE A 11 0.822 6.567 -2.195 1.00 34.05 H new ATOM 142 N ARG A 12 3.065 4.423 3.001 1.00 22.41 N ATOM 143 CA ARG A 12 4.143 3.630 3.593 1.00 45.43 C ATOM 144 C ARG A 12 3.876 2.145 3.385 1.00 1.42 C ATOM 145 O ARG A 12 2.844 1.632 3.814 1.00 74.21 O ATOM 146 CB ARG A 12 4.311 4.018 5.076 1.00 10.21 C ATOM 147 CG ARG A 12 5.767 3.884 5.543 1.00 1.21 C ATOM 148 CD ARG A 12 6.107 2.607 6.311 1.00 11.25 C ATOM 149 NE ARG A 12 6.234 2.830 7.760 1.00 33.21 N ATOM 150 CZ ARG A 12 7.204 3.539 8.359 1.00 61.43 C ATOM 151 NH1 ARG A 12 8.136 4.203 7.683 1.00 70.31 N ATOM 152 NH2 ARG A 12 7.266 3.583 9.681 1.00 1.52 N ATOM 0 H ARG A 12 2.136 4.035 3.167 1.00 22.41 H new ATOM 0 HA ARG A 12 5.090 3.844 3.097 1.00 45.43 H new ATOM 0 HB2 ARG A 12 3.976 5.045 5.222 1.00 10.21 H new ATOM 0 HB3 ARG A 12 3.673 3.384 5.691 1.00 10.21 H new ATOM 0 HG2 ARG A 12 6.415 3.943 4.669 1.00 1.21 H new ATOM 0 HG3 ARG A 12 6.006 4.739 6.175 1.00 1.21 H new ATOM 0 HD2 ARG A 12 5.332 1.862 6.129 1.00 11.25 H new ATOM 0 HD3 ARG A 12 7.041 2.196 5.928 1.00 11.25 H new ATOM 0 HE ARG A 12 5.524 2.410 8.361 1.00 33.21 H new ATOM 0 HH11 ARG A 12 8.134 4.188 6.663 1.00 70.31 H new ATOM 0 HH12 ARG A 12 8.853 4.728 8.184 1.00 70.31 H new ATOM 0 HH21 ARG A 12 6.578 3.079 10.241 1.00 1.52 H new ATOM 0 HH22 ARG A 12 8.002 4.121 10.139 1.00 1.52 H new ATOM 163 N LEU A 13 4.777 1.448 2.701 1.00 32.05 N ATOM 164 CA LEU A 13 4.617 0.038 2.342 1.00 65.11 C ATOM 165 C LEU A 13 5.530 -0.787 3.236 1.00 62.30 C ATOM 166 O LEU A 13 6.729 -0.512 3.280 1.00 44.44 O ATOM 167 CB LEU A 13 4.979 -0.171 0.857 1.00 74.22 C ATOM 168 CG LEU A 13 3.850 0.046 -0.175 1.00 21.21 C ATOM 169 CD1 LEU A 13 2.950 -1.178 -0.303 1.00 61.32 C ATOM 170 CD2 LEU A 13 2.967 1.248 0.150 1.00 73.03 C ATOM 0 H LEU A 13 5.655 1.851 2.374 1.00 32.05 H new ATOM 0 HA LEU A 13 3.583 -0.275 2.484 1.00 65.11 H new ATOM 0 HB2 LEU A 13 5.799 0.503 0.610 1.00 74.22 H new ATOM 0 HB3 LEU A 13 5.355 -1.187 0.739 1.00 74.22 H new ATOM 0 HG LEU A 13 4.367 0.230 -1.117 1.00 21.21 H new ATOM 0 HD11 LEU A 13 2.170 -0.981 -1.039 1.00 61.32 H new ATOM 0 HD12 LEU A 13 3.544 -2.034 -0.623 1.00 61.32 H new ATOM 0 HD13 LEU A 13 2.492 -1.395 0.662 1.00 61.32 H new ATOM 0 HD21 LEU A 13 2.193 1.348 -0.611 1.00 73.03 H new ATOM 0 HD22 LEU A 13 2.501 1.104 1.125 1.00 73.03 H new ATOM 0 HD23 LEU A 13 3.576 2.152 0.169 1.00 73.03 H new ATOM 181 N ILE A 14 4.983 -1.790 3.933 1.00 43.33 N ATOM 182 CA ILE A 14 5.727 -2.661 4.835 1.00 53.50 C ATOM 183 C ILE A 14 5.504 -4.126 4.454 1.00 53.42 C ATOM 184 O ILE A 14 4.400 -4.662 4.577 1.00 4.41 O ATOM 185 CB ILE A 14 5.345 -2.429 6.310 1.00 45.44 C ATOM 186 CG1 ILE A 14 5.249 -0.944 6.733 1.00 74.13 C ATOM 187 CG2 ILE A 14 6.403 -3.122 7.188 1.00 21.23 C ATOM 188 CD1 ILE A 14 3.855 -0.328 6.548 1.00 50.10 C ATOM 0 H ILE A 14 3.990 -2.019 3.881 1.00 43.33 H new ATOM 0 HA ILE A 14 6.784 -2.416 4.730 1.00 53.50 H new ATOM 0 HB ILE A 14 4.344 -2.841 6.440 1.00 45.44 H new ATOM 0 HG12 ILE A 14 5.537 -0.857 7.781 1.00 74.13 H new ATOM 0 HG13 ILE A 14 5.970 -0.365 6.155 1.00 74.13 H new ATOM 0 HG21 ILE A 14 6.157 -2.974 8.239 1.00 21.23 H new ATOM 0 HG22 ILE A 14 6.418 -4.189 6.966 1.00 21.23 H new ATOM 0 HG23 ILE A 14 7.384 -2.695 6.981 1.00 21.23 H new ATOM 0 HD11 ILE A 14 3.872 0.714 6.867 1.00 50.10 H new ATOM 0 HD12 ILE A 14 3.570 -0.381 5.497 1.00 50.10 H new ATOM 0 HD13 ILE A 14 3.131 -0.879 7.148 1.00 50.10 H new ATOM 199 N ASN A 15 6.567 -4.788 4.005 1.00 10.33 N ATOM 200 CA ASN A 15 6.541 -6.171 3.545 1.00 13.21 C ATOM 201 C ASN A 15 6.565 -7.220 4.673 1.00 13.11 C ATOM 202 O ASN A 15 7.508 -8.017 4.736 1.00 31.30 O ATOM 203 CB ASN A 15 7.706 -6.319 2.550 1.00 33.53 C ATOM 204 CG ASN A 15 7.418 -7.307 1.447 1.00 5.03 C ATOM 205 OD1 ASN A 15 6.340 -7.300 0.873 1.00 45.01 O ATOM 206 ND2 ASN A 15 8.391 -8.108 1.058 1.00 33.31 N ATOM 0 H ASN A 15 7.494 -4.365 3.950 1.00 10.33 H new ATOM 0 HA ASN A 15 5.587 -6.378 3.060 1.00 13.21 H new ATOM 0 HB2 ASN A 15 7.927 -5.346 2.110 1.00 33.53 H new ATOM 0 HB3 ASN A 15 8.599 -6.635 3.089 1.00 33.53 H new ATOM 0 HD21 ASN A 15 8.250 -8.735 0.266 1.00 33.31 H new ATOM 0 HD22 ASN A 15 9.285 -8.100 1.549 1.00 33.31 H new ATOM 212 N GLN A 16 5.558 -7.223 5.562 1.00 74.35 N ATOM 213 CA GLN A 16 5.464 -8.012 6.810 1.00 72.32 C ATOM 214 C GLN A 16 5.205 -9.522 6.598 1.00 3.13 C ATOM 215 O GLN A 16 4.444 -10.157 7.333 1.00 62.52 O ATOM 216 CB GLN A 16 4.415 -7.416 7.780 1.00 43.30 C ATOM 217 CG GLN A 16 4.488 -5.896 7.931 1.00 21.44 C ATOM 218 CD GLN A 16 3.889 -5.433 9.253 1.00 61.54 C ATOM 219 OE1 GLN A 16 2.689 -5.218 9.378 1.00 52.41 O ATOM 220 NE2 GLN A 16 4.723 -5.258 10.263 1.00 45.43 N ATOM 0 H GLN A 16 4.734 -6.639 5.423 1.00 74.35 H new ATOM 0 HA GLN A 16 6.455 -7.938 7.259 1.00 72.32 H new ATOM 0 HB2 GLN A 16 3.419 -7.687 7.430 1.00 43.30 H new ATOM 0 HB3 GLN A 16 4.544 -7.873 8.761 1.00 43.30 H new ATOM 0 HG2 GLN A 16 5.527 -5.573 7.869 1.00 21.44 H new ATOM 0 HG3 GLN A 16 3.958 -5.422 7.105 1.00 21.44 H new ATOM 0 HE21 GLN A 16 5.719 -5.442 10.140 1.00 45.43 H new ATOM 0 HE22 GLN A 16 4.371 -4.939 11.166 1.00 45.43 H new ATOM 227 N THR A 17 5.868 -10.123 5.622 1.00 43.11 N ATOM 228 CA THR A 17 5.676 -11.475 5.111 1.00 10.42 C ATOM 229 C THR A 17 6.996 -12.252 5.204 1.00 3.23 C ATOM 230 O THR A 17 7.948 -11.815 5.852 1.00 11.23 O ATOM 231 CB THR A 17 5.141 -11.361 3.664 1.00 34.12 C ATOM 232 OG1 THR A 17 5.527 -10.152 3.035 1.00 51.11 O ATOM 233 CG2 THR A 17 3.627 -11.379 3.667 1.00 45.12 C ATOM 0 H THR A 17 6.616 -9.639 5.125 1.00 43.11 H new ATOM 0 HA THR A 17 4.949 -12.032 5.701 1.00 10.42 H new ATOM 0 HB THR A 17 5.561 -12.207 3.120 1.00 34.12 H new ATOM 0 HG1 THR A 17 5.842 -10.342 2.127 1.00 51.11 H new ATOM 0 HG21 THR A 17 3.260 -11.298 2.644 1.00 45.12 H new ATOM 0 HG22 THR A 17 3.275 -12.313 4.106 1.00 45.12 H new ATOM 0 HG23 THR A 17 3.254 -10.539 4.253 1.00 45.12 H new ATOM 241 N TYR A 18 7.064 -13.416 4.561 1.00 63.43 N ATOM 242 CA TYR A 18 8.233 -14.287 4.509 1.00 63.55 C ATOM 243 C TYR A 18 9.018 -14.195 3.189 1.00 11.43 C ATOM 244 O TYR A 18 9.968 -14.953 2.992 1.00 23.10 O ATOM 245 CB TYR A 18 7.781 -15.728 4.795 1.00 13.42 C ATOM 246 CG TYR A 18 7.176 -16.529 3.649 1.00 14.34 C ATOM 247 CD1 TYR A 18 6.156 -16.016 2.818 1.00 62.51 C ATOM 248 CD2 TYR A 18 7.632 -17.842 3.444 1.00 25.50 C ATOM 249 CE1 TYR A 18 5.616 -16.801 1.782 1.00 43.33 C ATOM 250 CE2 TYR A 18 7.107 -18.628 2.409 1.00 33.11 C ATOM 251 CZ TYR A 18 6.098 -18.111 1.569 1.00 51.42 C ATOM 252 OH TYR A 18 5.590 -18.899 0.586 1.00 3.00 O ATOM 0 H TYR A 18 6.272 -13.792 4.041 1.00 63.43 H new ATOM 0 HA TYR A 18 8.935 -13.950 5.272 1.00 63.55 H new ATOM 0 HB2 TYR A 18 8.643 -16.280 5.170 1.00 13.42 H new ATOM 0 HB3 TYR A 18 7.049 -15.694 5.602 1.00 13.42 H new ATOM 0 HD1 TYR A 18 5.787 -15.014 2.979 1.00 62.51 H new ATOM 0 HD2 TYR A 18 8.395 -18.250 4.091 1.00 25.50 H new ATOM 0 HE1 TYR A 18 4.835 -16.402 1.152 1.00 43.33 H new ATOM 0 HE2 TYR A 18 7.475 -19.631 2.254 1.00 33.11 H new ATOM 0 HH TYR A 18 6.048 -19.766 0.592 1.00 3.00 H new ATOM 261 N PHE A 19 8.659 -13.283 2.280 1.00 10.20 N ATOM 262 CA PHE A 19 9.017 -13.305 0.867 1.00 5.24 C ATOM 263 C PHE A 19 9.874 -12.067 0.532 1.00 1.02 C ATOM 264 O PHE A 19 10.491 -11.472 1.420 1.00 31.21 O ATOM 265 CB PHE A 19 7.756 -13.570 -0.005 1.00 10.34 C ATOM 266 CG PHE A 19 6.536 -12.654 0.089 1.00 65.41 C ATOM 267 CD1 PHE A 19 6.663 -11.248 0.098 1.00 30.54 C ATOM 268 CD2 PHE A 19 5.227 -13.211 0.144 1.00 63.23 C ATOM 269 CE1 PHE A 19 5.509 -10.449 0.095 1.00 65.31 C ATOM 270 CE2 PHE A 19 4.106 -12.394 0.283 1.00 42.14 C ATOM 271 CZ PHE A 19 4.245 -11.013 0.180 1.00 73.14 C ATOM 0 H PHE A 19 8.086 -12.476 2.525 1.00 10.20 H new ATOM 0 HA PHE A 19 9.666 -14.145 0.618 1.00 5.24 H new ATOM 0 HB2 PHE A 19 8.079 -13.568 -1.046 1.00 10.34 H new ATOM 0 HB3 PHE A 19 7.416 -14.581 0.221 1.00 10.34 H new ATOM 0 HD1 PHE A 19 7.641 -10.790 0.107 1.00 30.54 H new ATOM 0 HD2 PHE A 19 5.101 -14.281 0.077 1.00 63.23 H new ATOM 0 HE1 PHE A 19 5.607 -9.376 0.025 1.00 65.31 H new ATOM 0 HE2 PHE A 19 3.136 -12.830 0.469 1.00 42.14 H new ATOM 0 HZ PHE A 19 3.369 -10.381 0.166 1.00 73.14 H new ATOM 280 N ASN A 20 10.019 -11.728 -0.752 1.00 23.23 N ATOM 281 CA ASN A 20 10.556 -10.456 -1.254 1.00 22.24 C ATOM 282 C ASN A 20 9.617 -10.015 -2.380 1.00 13.13 C ATOM 283 O ASN A 20 9.000 -10.889 -2.999 1.00 22.30 O ATOM 284 CB ASN A 20 11.977 -10.676 -1.789 1.00 11.04 C ATOM 285 CG ASN A 20 12.561 -9.459 -2.486 1.00 4.00 C ATOM 286 OD1 ASN A 20 13.056 -8.567 -1.820 1.00 24.34 O ATOM 287 ND2 ASN A 20 12.577 -9.411 -3.809 1.00 24.51 N ATOM 0 H ASN A 20 9.753 -12.361 -1.506 1.00 23.23 H new ATOM 0 HA ASN A 20 10.611 -9.698 -0.473 1.00 22.24 H new ATOM 0 HB2 ASN A 20 12.628 -10.957 -0.961 1.00 11.04 H new ATOM 0 HB3 ASN A 20 11.968 -11.514 -2.486 1.00 11.04 H new ATOM 0 HD21 ASN A 20 13.008 -8.619 -4.285 1.00 24.51 H new ATOM 0 HD22 ASN A 20 12.158 -10.166 -4.352 1.00 24.51 H new ATOM 293 N VAL A 21 9.494 -8.717 -2.676 1.00 32.41 N ATOM 294 CA VAL A 21 8.571 -8.228 -3.717 1.00 31.53 C ATOM 295 C VAL A 21 9.255 -7.224 -4.631 1.00 73.44 C ATOM 296 O VAL A 21 10.054 -6.423 -4.170 1.00 72.14 O ATOM 297 CB VAL A 21 7.301 -7.617 -3.098 1.00 54.42 C ATOM 298 CG1 VAL A 21 6.513 -8.687 -2.362 1.00 22.54 C ATOM 299 CG2 VAL A 21 7.577 -6.488 -2.103 1.00 52.45 C ATOM 0 H VAL A 21 10.023 -7.980 -2.210 1.00 32.41 H new ATOM 0 HA VAL A 21 8.274 -9.088 -4.317 1.00 31.53 H new ATOM 0 HB VAL A 21 6.744 -7.201 -3.937 1.00 54.42 H new ATOM 0 HG11 VAL A 21 5.616 -8.245 -1.928 1.00 22.54 H new ATOM 0 HG12 VAL A 21 6.228 -9.474 -3.060 1.00 22.54 H new ATOM 0 HG13 VAL A 21 7.129 -9.112 -1.569 1.00 22.54 H new ATOM 0 HG21 VAL A 21 6.633 -6.110 -1.711 1.00 52.45 H new ATOM 0 HG22 VAL A 21 8.185 -6.867 -1.282 1.00 52.45 H new ATOM 0 HG23 VAL A 21 8.110 -5.681 -2.607 1.00 52.45 H new ATOM 309 N LYS A 22 8.916 -7.229 -5.925 1.00 45.31 N ATOM 310 CA LYS A 22 9.697 -6.548 -6.973 1.00 25.21 C ATOM 311 C LYS A 22 8.854 -5.838 -8.018 1.00 34.44 C ATOM 312 O LYS A 22 9.304 -5.537 -9.117 1.00 5.43 O ATOM 313 CB LYS A 22 10.694 -7.533 -7.615 1.00 53.33 C ATOM 314 CG LYS A 22 10.014 -8.723 -8.318 1.00 70.21 C ATOM 315 CD LYS A 22 9.838 -9.957 -7.420 1.00 51.45 C ATOM 316 CE LYS A 22 8.761 -10.931 -7.922 1.00 72.45 C ATOM 317 NZ LYS A 22 8.903 -11.331 -9.335 1.00 52.31 N ATOM 0 H LYS A 22 8.088 -7.707 -6.280 1.00 45.31 H new ATOM 0 HA LYS A 22 10.249 -5.750 -6.477 1.00 25.21 H new ATOM 0 HB2 LYS A 22 11.308 -6.996 -8.338 1.00 53.33 H new ATOM 0 HB3 LYS A 22 11.366 -7.912 -6.845 1.00 53.33 H new ATOM 0 HG2 LYS A 22 9.036 -8.407 -8.681 1.00 70.21 H new ATOM 0 HG3 LYS A 22 10.604 -9.002 -9.191 1.00 70.21 H new ATOM 0 HD2 LYS A 22 10.789 -10.484 -7.350 1.00 51.45 H new ATOM 0 HD3 LYS A 22 9.580 -9.630 -6.413 1.00 51.45 H new ATOM 0 HE2 LYS A 22 8.782 -11.827 -7.301 1.00 72.45 H new ATOM 0 HE3 LYS A 22 7.782 -10.471 -7.785 1.00 72.45 H new ATOM 0 HZ1 LYS A 22 8.602 -12.320 -9.448 1.00 52.31 H new ATOM 0 HZ2 LYS A 22 8.310 -10.719 -9.930 1.00 52.31 H new ATOM 0 HZ3 LYS A 22 9.897 -11.236 -9.624 1.00 52.31 H new ATOM 327 N ASN A 23 7.586 -5.632 -7.702 1.00 41.33 N ATOM 328 CA ASN A 23 6.572 -5.303 -8.697 1.00 23.30 C ATOM 329 C ASN A 23 5.279 -4.941 -7.968 1.00 61.12 C ATOM 330 O ASN A 23 4.279 -5.667 -8.051 1.00 62.34 O ATOM 331 CB ASN A 23 6.363 -6.463 -9.711 1.00 31.51 C ATOM 332 CG ASN A 23 6.329 -7.865 -9.090 1.00 2.13 C ATOM 333 OD1 ASN A 23 6.854 -8.843 -9.607 1.00 51.05 O ATOM 334 ND2 ASN A 23 5.771 -7.984 -7.900 1.00 52.13 N ATOM 0 H ASN A 23 7.228 -5.688 -6.749 1.00 41.33 H new ATOM 0 HA ASN A 23 6.904 -4.449 -9.287 1.00 23.30 H new ATOM 0 HB2 ASN A 23 5.428 -6.295 -10.245 1.00 31.51 H new ATOM 0 HB3 ASN A 23 7.163 -6.428 -10.451 1.00 31.51 H new ATOM 0 HD21 ASN A 23 5.780 -8.884 -7.420 1.00 52.13 H new ATOM 0 HD22 ASN A 23 5.331 -7.176 -7.460 1.00 52.13 H new ATOM 340 N ILE A 24 5.324 -3.911 -7.128 1.00 45.21 N ATOM 341 CA ILE A 24 4.230 -3.502 -6.270 1.00 3.31 C ATOM 342 C ILE A 24 3.569 -2.281 -6.888 1.00 65.23 C ATOM 343 O ILE A 24 4.097 -1.171 -6.810 1.00 61.21 O ATOM 344 CB ILE A 24 4.742 -3.207 -4.846 1.00 71.41 C ATOM 345 CG1 ILE A 24 5.710 -4.304 -4.360 1.00 70.10 C ATOM 346 CG2 ILE A 24 3.548 -3.038 -3.897 1.00 62.54 C ATOM 347 CD1 ILE A 24 7.189 -3.957 -4.601 1.00 3.15 C ATOM 0 H ILE A 24 6.151 -3.323 -7.027 1.00 45.21 H new ATOM 0 HA ILE A 24 3.496 -4.304 -6.186 1.00 3.31 H new ATOM 0 HB ILE A 24 5.308 -2.276 -4.858 1.00 71.41 H new ATOM 0 HG12 ILE A 24 5.552 -4.473 -3.295 1.00 70.10 H new ATOM 0 HG13 ILE A 24 5.475 -5.239 -4.869 1.00 70.10 H new ATOM 0 HG21 ILE A 24 3.910 -2.829 -2.890 1.00 62.54 H new ATOM 0 HG22 ILE A 24 2.927 -2.210 -4.238 1.00 62.54 H new ATOM 0 HG23 ILE A 24 2.958 -3.954 -3.888 1.00 62.54 H new ATOM 0 HD11 ILE A 24 7.817 -4.770 -4.237 1.00 3.15 H new ATOM 0 HD12 ILE A 24 7.360 -3.816 -5.668 1.00 3.15 H new ATOM 0 HD13 ILE A 24 7.439 -3.039 -4.069 1.00 3.15 H new ATOM 358 N LYS A 25 2.402 -2.483 -7.501 1.00 4.12 N ATOM 359 CA LYS A 25 1.537 -1.376 -7.861 1.00 50.30 C ATOM 360 C LYS A 25 0.706 -1.017 -6.641 1.00 30.35 C ATOM 361 O LYS A 25 0.142 -1.901 -5.989 1.00 14.55 O ATOM 362 CB LYS A 25 0.627 -1.730 -9.060 1.00 1.11 C ATOM 363 CG LYS A 25 0.985 -0.865 -10.279 1.00 43.10 C ATOM 364 CD LYS A 25 -0.197 -0.400 -11.127 1.00 32.44 C ATOM 365 CE LYS A 25 -1.251 0.401 -10.348 1.00 42.33 C ATOM 366 NZ LYS A 25 -0.674 1.306 -9.345 1.00 70.14 N ATOM 0 H LYS A 25 2.041 -3.403 -7.755 1.00 4.12 H new ATOM 0 HA LYS A 25 2.144 -0.525 -8.171 1.00 50.30 H new ATOM 0 HB2 LYS A 25 0.738 -2.785 -9.310 1.00 1.11 H new ATOM 0 HB3 LYS A 25 -0.418 -1.575 -8.790 1.00 1.11 H new ATOM 0 HG2 LYS A 25 1.528 0.014 -9.932 1.00 43.10 H new ATOM 0 HG3 LYS A 25 1.666 -1.430 -10.916 1.00 43.10 H new ATOM 0 HD2 LYS A 25 0.177 0.213 -11.947 1.00 32.44 H new ATOM 0 HD3 LYS A 25 -0.675 -1.272 -11.573 1.00 32.44 H new ATOM 0 HE2 LYS A 25 -1.847 0.983 -11.051 1.00 42.33 H new ATOM 0 HE3 LYS A 25 -1.930 -0.293 -9.852 1.00 42.33 H new ATOM 0 HZ1 LYS A 25 -1.438 1.815 -8.856 1.00 70.14 H new ATOM 0 HZ2 LYS A 25 -0.128 0.754 -8.653 1.00 70.14 H new ATOM 0 HZ3 LYS A 25 -0.047 1.990 -9.815 1.00 70.14 H new ATOM 376 N VAL A 26 0.579 0.282 -6.385 1.00 70.20 N ATOM 377 CA VAL A 26 -0.323 0.814 -5.374 1.00 52.20 C ATOM 378 C VAL A 26 -1.065 2.009 -6.008 1.00 62.03 C ATOM 379 O VAL A 26 -0.460 2.703 -6.829 1.00 23.31 O ATOM 380 CB VAL A 26 0.544 1.141 -4.140 1.00 50.50 C ATOM 381 CG1 VAL A 26 1.199 2.518 -4.215 1.00 65.10 C ATOM 382 CG2 VAL A 26 -0.266 1.052 -2.857 1.00 32.13 C ATOM 0 H VAL A 26 1.106 1.001 -6.880 1.00 70.20 H new ATOM 0 HA VAL A 26 -1.098 0.127 -5.036 1.00 52.20 H new ATOM 0 HB VAL A 26 1.335 0.391 -4.134 1.00 50.50 H new ATOM 0 HG11 VAL A 26 1.794 2.687 -3.318 1.00 65.10 H new ATOM 0 HG12 VAL A 26 1.843 2.567 -5.093 1.00 65.10 H new ATOM 0 HG13 VAL A 26 0.427 3.284 -4.288 1.00 65.10 H new ATOM 0 HG21 VAL A 26 0.373 1.288 -2.006 1.00 32.13 H new ATOM 0 HG22 VAL A 26 -1.092 1.762 -2.898 1.00 32.13 H new ATOM 0 HG23 VAL A 26 -0.661 0.042 -2.745 1.00 32.13 H new ATOM 392 N THR A 27 -2.339 2.248 -5.692 1.00 70.21 N ATOM 393 CA THR A 27 -3.158 3.300 -6.300 1.00 71.04 C ATOM 394 C THR A 27 -4.058 3.905 -5.216 1.00 62.20 C ATOM 395 O THR A 27 -4.913 3.209 -4.679 1.00 34.05 O ATOM 396 CB THR A 27 -4.013 2.701 -7.436 1.00 43.42 C ATOM 397 OG1 THR A 27 -3.252 1.917 -8.337 1.00 45.40 O ATOM 398 CG2 THR A 27 -4.703 3.789 -8.259 1.00 63.20 C ATOM 0 H THR A 27 -2.842 1.704 -4.991 1.00 70.21 H new ATOM 0 HA THR A 27 -2.521 4.078 -6.722 1.00 71.04 H new ATOM 0 HB THR A 27 -4.748 2.073 -6.933 1.00 43.42 H new ATOM 0 HG1 THR A 27 -3.839 1.560 -9.036 1.00 45.40 H new ATOM 0 HG21 THR A 27 -5.295 3.327 -9.049 1.00 63.20 H new ATOM 0 HG22 THR A 27 -5.355 4.376 -7.612 1.00 63.20 H new ATOM 0 HG23 THR A 27 -3.951 4.441 -8.704 1.00 63.20 H new ATOM 406 N TRP A 28 -3.883 5.183 -4.881 1.00 13.12 N ATOM 407 CA TRP A 28 -4.520 5.871 -3.742 1.00 4.23 C ATOM 408 C TRP A 28 -5.615 6.846 -4.193 1.00 12.45 C ATOM 409 O TRP A 28 -5.998 7.786 -3.488 1.00 31.44 O ATOM 410 CB TRP A 28 -3.417 6.609 -2.982 1.00 51.24 C ATOM 411 CG TRP A 28 -2.581 7.542 -3.798 1.00 34.41 C ATOM 412 CD1 TRP A 28 -2.830 8.846 -4.053 1.00 4.31 C ATOM 413 CD2 TRP A 28 -1.332 7.234 -4.464 1.00 34.21 C ATOM 414 NE1 TRP A 28 -1.791 9.376 -4.792 1.00 61.00 N ATOM 415 CE2 TRP A 28 -0.817 8.429 -5.039 1.00 70.14 C ATOM 416 CE3 TRP A 28 -0.585 6.052 -4.609 1.00 5.22 C ATOM 417 CZ2 TRP A 28 0.433 8.466 -5.666 1.00 61.14 C ATOM 418 CZ3 TRP A 28 0.663 6.073 -5.254 1.00 3.52 C ATOM 419 CH2 TRP A 28 1.176 7.280 -5.763 1.00 41.11 C ATOM 0 H TRP A 28 -3.269 5.799 -5.414 1.00 13.12 H new ATOM 0 HA TRP A 28 -5.013 5.139 -3.103 1.00 4.23 H new ATOM 0 HB2 TRP A 28 -3.876 7.176 -2.172 1.00 51.24 H new ATOM 0 HB3 TRP A 28 -2.761 5.870 -2.522 1.00 51.24 H new ATOM 0 HD1 TRP A 28 -3.706 9.389 -3.729 1.00 4.31 H new ATOM 0 HE1 TRP A 28 -1.748 10.343 -5.114 1.00 61.00 H new ATOM 0 HE3 TRP A 28 -0.973 5.121 -4.222 1.00 5.22 H new ATOM 0 HZ2 TRP A 28 0.819 9.391 -6.068 1.00 61.14 H new ATOM 0 HZ3 TRP A 28 1.230 5.160 -5.359 1.00 3.52 H new ATOM 0 HH2 TRP A 28 2.149 7.294 -6.232 1.00 41.11 H new ATOM 429 N ASN A 29 -6.052 6.708 -5.435 1.00 63.12 N ATOM 430 CA ASN A 29 -6.973 7.620 -6.083 1.00 41.31 C ATOM 431 C ASN A 29 -7.480 7.035 -7.393 1.00 4.15 C ATOM 432 O ASN A 29 -7.125 5.916 -7.757 1.00 70.21 O ATOM 433 CB ASN A 29 -6.295 8.979 -6.328 1.00 73.40 C ATOM 434 CG ASN A 29 -7.282 10.055 -5.940 1.00 24.13 C ATOM 435 OD1 ASN A 29 -7.981 10.583 -6.790 1.00 72.13 O ATOM 436 ND2 ASN A 29 -7.429 10.303 -4.648 1.00 71.04 N ATOM 0 H ASN A 29 -5.765 5.935 -6.035 1.00 63.12 H new ATOM 0 HA ASN A 29 -7.828 7.770 -5.424 1.00 41.31 H new ATOM 0 HB2 ASN A 29 -5.383 9.064 -5.737 1.00 73.40 H new ATOM 0 HB3 ASN A 29 -6.008 9.081 -7.375 1.00 73.40 H new ATOM 0 HD21 ASN A 29 -8.147 10.956 -4.332 1.00 71.04 H new ATOM 0 HD22 ASN A 29 -6.825 9.841 -3.968 1.00 71.04 H new ATOM 442 N ASP A 30 -8.274 7.804 -8.129 1.00 63.14 N ATOM 443 CA ASP A 30 -8.906 7.356 -9.364 1.00 75.12 C ATOM 444 C ASP A 30 -7.986 7.646 -10.535 1.00 34.44 C ATOM 445 O ASP A 30 -8.287 8.482 -11.387 1.00 31.41 O ATOM 446 CB ASP A 30 -10.284 8.019 -9.479 1.00 3.23 C ATOM 447 CG ASP A 30 -11.265 7.235 -10.349 1.00 43.12 C ATOM 448 OD1 ASP A 30 -10.863 6.344 -11.122 1.00 15.52 O ATOM 449 OD2 ASP A 30 -12.478 7.445 -10.133 1.00 51.43 O ATOM 0 H ASP A 30 -8.500 8.768 -7.882 1.00 63.14 H new ATOM 0 HA ASP A 30 -9.070 6.278 -9.364 1.00 75.12 H new ATOM 0 HB2 ASP A 30 -10.707 8.135 -8.481 1.00 3.23 H new ATOM 0 HB3 ASP A 30 -10.164 9.020 -9.892 1.00 3.23 H new ATOM 453 N GLY A 31 -6.804 7.033 -10.512 1.00 25.13 N ATOM 454 CA GLY A 31 -5.786 7.172 -11.542 1.00 43.13 C ATOM 455 C GLY A 31 -4.445 7.685 -11.028 1.00 41.44 C ATOM 456 O GLY A 31 -3.478 7.675 -11.792 1.00 33.12 O ATOM 0 H GLY A 31 -6.524 6.410 -9.754 1.00 25.13 H new ATOM 0 HA2 GLY A 31 -5.633 6.204 -12.020 1.00 43.13 H new ATOM 0 HA3 GLY A 31 -6.153 7.853 -12.310 1.00 43.13 H new ATOM 460 N LYS A 32 -4.339 8.136 -9.774 1.00 73.01 N ATOM 461 CA LYS A 32 -3.069 8.562 -9.202 1.00 51.50 C ATOM 462 C LYS A 32 -2.376 7.346 -8.586 1.00 22.11 C ATOM 463 O LYS A 32 -2.912 6.735 -7.659 1.00 72.42 O ATOM 464 CB LYS A 32 -3.299 9.702 -8.192 1.00 65.12 C ATOM 465 CG LYS A 32 -2.265 10.821 -8.355 1.00 23.02 C ATOM 466 CD LYS A 32 -0.810 10.365 -8.143 1.00 71.11 C ATOM 467 CE LYS A 32 0.060 10.526 -9.399 1.00 31.31 C ATOM 468 NZ LYS A 32 1.441 10.043 -9.193 1.00 44.54 N ATOM 0 H LYS A 32 -5.130 8.214 -9.134 1.00 73.01 H new ATOM 0 HA LYS A 32 -2.411 8.964 -9.973 1.00 51.50 H new ATOM 0 HB2 LYS A 32 -4.301 10.110 -8.326 1.00 65.12 H new ATOM 0 HB3 LYS A 32 -3.249 9.305 -7.178 1.00 65.12 H new ATOM 0 HG2 LYS A 32 -2.360 11.246 -9.354 1.00 23.02 H new ATOM 0 HG3 LYS A 32 -2.492 11.618 -7.647 1.00 23.02 H new ATOM 0 HD2 LYS A 32 -0.370 10.939 -7.328 1.00 71.11 H new ATOM 0 HD3 LYS A 32 -0.804 9.319 -7.836 1.00 71.11 H new ATOM 0 HE2 LYS A 32 -0.394 9.978 -10.225 1.00 31.31 H new ATOM 0 HE3 LYS A 32 0.085 11.577 -9.688 1.00 31.31 H new ATOM 0 HZ1 LYS A 32 2.035 10.339 -9.994 1.00 44.54 H new ATOM 0 HZ2 LYS A 32 1.821 10.445 -8.312 1.00 44.54 H new ATOM 0 HZ3 LYS A 32 1.440 9.005 -9.128 1.00 44.54 H new ATOM 478 N GLU A 33 -1.199 6.991 -9.105 1.00 24.14 N ATOM 479 CA GLU A 33 -0.442 5.822 -8.673 1.00 21.42 C ATOM 480 C GLU A 33 1.071 6.045 -8.775 1.00 74.22 C ATOM 481 O GLU A 33 1.519 7.089 -9.270 1.00 30.15 O ATOM 482 CB GLU A 33 -0.898 4.618 -9.506 1.00 14.53 C ATOM 483 CG GLU A 33 -0.480 4.571 -10.985 1.00 12.31 C ATOM 484 CD GLU A 33 0.897 3.940 -11.203 1.00 32.41 C ATOM 485 OE1 GLU A 33 1.058 2.751 -10.845 1.00 34.43 O ATOM 486 OE2 GLU A 33 1.792 4.635 -11.735 1.00 70.14 O ATOM 0 H GLU A 33 -0.741 7.518 -9.849 1.00 24.14 H new ATOM 0 HA GLU A 33 -0.641 5.633 -7.618 1.00 21.42 H new ATOM 0 HB2 GLU A 33 -0.524 3.715 -9.023 1.00 14.53 H new ATOM 0 HB3 GLU A 33 -1.986 4.574 -9.464 1.00 14.53 H new ATOM 0 HG2 GLU A 33 -1.224 4.008 -11.548 1.00 12.31 H new ATOM 0 HG3 GLU A 33 -0.476 5.584 -11.387 1.00 12.31 H new ATOM 491 N GLN A 34 1.835 5.040 -8.328 1.00 74.31 N ATOM 492 CA GLN A 34 3.253 4.817 -8.618 1.00 11.55 C ATOM 493 C GLN A 34 3.572 3.336 -8.358 1.00 74.02 C ATOM 494 O GLN A 34 2.727 2.596 -7.830 1.00 30.21 O ATOM 495 CB GLN A 34 4.184 5.804 -7.865 1.00 10.34 C ATOM 496 CG GLN A 34 4.358 5.629 -6.345 1.00 30.14 C ATOM 497 CD GLN A 34 5.515 4.700 -5.980 1.00 14.12 C ATOM 498 OE1 GLN A 34 6.685 5.008 -6.179 1.00 24.22 O ATOM 499 NE2 GLN A 34 5.223 3.531 -5.444 1.00 65.01 N ATOM 0 H GLN A 34 1.454 4.318 -7.717 1.00 74.31 H new ATOM 0 HA GLN A 34 3.451 5.033 -9.668 1.00 11.55 H new ATOM 0 HB2 GLN A 34 5.172 5.743 -8.322 1.00 10.34 H new ATOM 0 HB3 GLN A 34 3.812 6.813 -8.043 1.00 10.34 H new ATOM 0 HG2 GLN A 34 4.525 6.605 -5.889 1.00 30.14 H new ATOM 0 HG3 GLN A 34 3.434 5.234 -5.922 1.00 30.14 H new ATOM 0 HE21 GLN A 34 4.250 3.275 -5.278 1.00 65.01 H new ATOM 0 HE22 GLN A 34 5.970 2.883 -5.195 1.00 65.01 H new ATOM 506 N THR A 35 4.790 2.908 -8.689 1.00 70.43 N ATOM 507 CA THR A 35 5.235 1.530 -8.555 1.00 3.13 C ATOM 508 C THR A 35 6.532 1.486 -7.734 1.00 54.22 C ATOM 509 O THR A 35 7.364 2.389 -7.857 1.00 50.40 O ATOM 510 CB THR A 35 5.376 0.921 -9.961 1.00 64.23 C ATOM 511 OG1 THR A 35 6.232 1.641 -10.837 1.00 25.31 O ATOM 512 CG2 THR A 35 4.045 0.698 -10.660 1.00 45.23 C ATOM 0 H THR A 35 5.507 3.527 -9.066 1.00 70.43 H new ATOM 0 HA THR A 35 4.508 0.927 -8.011 1.00 3.13 H new ATOM 0 HB THR A 35 5.841 -0.043 -9.754 1.00 64.23 H new ATOM 0 HG1 THR A 35 6.268 1.188 -11.705 1.00 25.31 H new ATOM 0 HG21 THR A 35 4.219 0.267 -11.646 1.00 45.23 H new ATOM 0 HG22 THR A 35 3.433 0.016 -10.069 1.00 45.23 H new ATOM 0 HG23 THR A 35 3.526 1.651 -10.767 1.00 45.23 H new ATOM 520 N VAL A 36 6.731 0.459 -6.900 1.00 65.34 N ATOM 521 CA VAL A 36 7.925 0.329 -6.060 1.00 64.00 C ATOM 522 C VAL A 36 8.850 -0.673 -6.748 1.00 45.12 C ATOM 523 O VAL A 36 8.414 -1.768 -7.120 1.00 61.24 O ATOM 524 CB VAL A 36 7.549 -0.105 -4.624 1.00 62.22 C ATOM 525 CG1 VAL A 36 8.782 -0.230 -3.716 1.00 54.52 C ATOM 526 CG2 VAL A 36 6.554 0.855 -3.949 1.00 31.11 C ATOM 0 H VAL A 36 6.066 -0.307 -6.789 1.00 65.34 H new ATOM 0 HA VAL A 36 8.435 1.286 -5.953 1.00 64.00 H new ATOM 0 HB VAL A 36 7.076 -1.080 -4.744 1.00 62.22 H new ATOM 0 HG11 VAL A 36 8.469 -0.537 -2.718 1.00 54.52 H new ATOM 0 HG12 VAL A 36 9.463 -0.975 -4.128 1.00 54.52 H new ATOM 0 HG13 VAL A 36 9.290 0.733 -3.657 1.00 54.52 H new ATOM 0 HG21 VAL A 36 6.328 0.498 -2.944 1.00 31.11 H new ATOM 0 HG22 VAL A 36 6.992 1.851 -3.890 1.00 31.11 H new ATOM 0 HG23 VAL A 36 5.635 0.897 -4.534 1.00 31.11 H new ATOM 536 N ASN A 37 10.128 -0.320 -6.906 1.00 61.30 N ATOM 537 CA ASN A 37 11.078 -1.168 -7.607 1.00 44.32 C ATOM 538 C ASN A 37 11.200 -2.540 -6.947 1.00 63.13 C ATOM 539 O ASN A 37 10.914 -3.560 -7.567 1.00 24.41 O ATOM 540 CB ASN A 37 12.455 -0.518 -7.747 1.00 71.20 C ATOM 541 CG ASN A 37 13.336 -1.508 -8.497 1.00 4.05 C ATOM 542 OD1 ASN A 37 12.995 -1.902 -9.605 1.00 1.01 O ATOM 543 ND2 ASN A 37 14.394 -2.007 -7.873 1.00 52.12 N ATOM 0 H ASN A 37 10.524 0.552 -6.554 1.00 61.30 H new ATOM 0 HA ASN A 37 10.679 -1.303 -8.612 1.00 44.32 H new ATOM 0 HB2 ASN A 37 12.384 0.424 -8.290 1.00 71.20 H new ATOM 0 HB3 ASN A 37 12.876 -0.291 -6.768 1.00 71.20 H new ATOM 0 HD21 ASN A 37 14.949 -2.740 -8.316 1.00 52.12 H new ATOM 0 HD22 ASN A 37 14.653 -1.658 -6.950 1.00 52.12 H new ATOM 549 N THR A 38 11.640 -2.600 -5.695 1.00 5.23 N ATOM 550 CA THR A 38 11.654 -3.811 -4.883 1.00 65.54 C ATOM 551 C THR A 38 11.474 -3.368 -3.424 1.00 12.11 C ATOM 552 O THR A 38 11.761 -2.215 -3.087 1.00 22.43 O ATOM 553 CB THR A 38 12.942 -4.632 -5.181 1.00 14.24 C ATOM 554 OG1 THR A 38 13.014 -4.927 -6.572 1.00 5.22 O ATOM 555 CG2 THR A 38 13.080 -5.996 -4.484 1.00 65.43 C ATOM 0 H THR A 38 12.007 -1.785 -5.203 1.00 5.23 H new ATOM 0 HA THR A 38 10.841 -4.498 -5.117 1.00 65.54 H new ATOM 0 HB THR A 38 13.730 -3.982 -4.800 1.00 14.24 H new ATOM 0 HG1 THR A 38 12.131 -4.804 -6.979 1.00 5.22 H new ATOM 0 HG21 THR A 38 14.021 -6.461 -4.778 1.00 65.43 H new ATOM 0 HG22 THR A 38 13.067 -5.855 -3.403 1.00 65.43 H new ATOM 0 HG23 THR A 38 12.250 -6.639 -4.776 1.00 65.43 H new ATOM 563 N LEU A 39 10.951 -4.254 -2.581 1.00 5.00 N ATOM 564 CA LEU A 39 10.907 -4.127 -1.135 1.00 62.11 C ATOM 565 C LEU A 39 11.491 -5.435 -0.617 1.00 21.34 C ATOM 566 O LEU A 39 11.041 -6.507 -1.038 1.00 21.52 O ATOM 567 CB LEU A 39 9.464 -3.920 -0.626 1.00 51.40 C ATOM 568 CG LEU A 39 9.306 -3.296 0.756 1.00 21.43 C ATOM 569 CD1 LEU A 39 10.046 -4.080 1.808 1.00 33.41 C ATOM 570 CD2 LEU A 39 9.783 -1.855 0.822 1.00 63.22 C ATOM 0 H LEU A 39 10.526 -5.122 -2.908 1.00 5.00 H new ATOM 0 HA LEU A 39 11.464 -3.258 -0.786 1.00 62.11 H new ATOM 0 HB2 LEU A 39 8.937 -3.292 -1.345 1.00 51.40 H new ATOM 0 HB3 LEU A 39 8.963 -4.888 -0.621 1.00 51.40 H new ATOM 0 HG LEU A 39 8.234 -3.318 0.950 1.00 21.43 H new ATOM 0 HD11 LEU A 39 9.910 -3.604 2.779 1.00 33.41 H new ATOM 0 HD12 LEU A 39 9.657 -5.098 1.844 1.00 33.41 H new ATOM 0 HD13 LEU A 39 11.108 -4.106 1.563 1.00 33.41 H new ATOM 0 HD21 LEU A 39 9.643 -1.471 1.832 1.00 63.22 H new ATOM 0 HD22 LEU A 39 10.840 -1.809 0.560 1.00 63.22 H new ATOM 0 HD23 LEU A 39 9.209 -1.249 0.121 1.00 63.22 H new ATOM 581 N GLY A 40 12.475 -5.312 0.270 1.00 11.31 N ATOM 582 CA GLY A 40 13.158 -6.409 0.919 1.00 10.23 C ATOM 583 C GLY A 40 12.287 -7.224 1.876 1.00 2.33 C ATOM 584 O GLY A 40 11.081 -7.412 1.686 1.00 30.43 O ATOM 0 H GLY A 40 12.828 -4.401 0.564 1.00 11.31 H new ATOM 0 HA2 GLY A 40 13.556 -7.076 0.154 1.00 10.23 H new ATOM 0 HA3 GLY A 40 14.010 -6.013 1.472 1.00 10.23 H new ATOM 588 N SER A 41 12.923 -7.813 2.883 1.00 51.23 N ATOM 589 CA SER A 41 12.313 -8.817 3.742 1.00 12.40 C ATOM 590 C SER A 41 11.929 -8.164 5.070 1.00 33.11 C ATOM 591 O SER A 41 12.774 -7.543 5.702 1.00 12.22 O ATOM 592 CB SER A 41 13.261 -10.019 3.902 1.00 33.42 C ATOM 593 OG SER A 41 14.424 -9.991 3.078 1.00 25.41 O ATOM 0 H SER A 41 13.891 -7.602 3.127 1.00 51.23 H new ATOM 0 HA SER A 41 11.399 -9.209 3.296 1.00 12.40 H new ATOM 0 HB2 SER A 41 13.575 -10.077 4.944 1.00 33.42 H new ATOM 0 HB3 SER A 41 12.705 -10.931 3.686 1.00 33.42 H new ATOM 0 HG SER A 41 14.965 -10.790 3.249 1.00 25.41 H new ATOM 598 N HIS A 42 10.649 -8.255 5.463 1.00 51.42 N ATOM 599 CA HIS A 42 10.063 -7.588 6.634 1.00 64.53 C ATOM 600 C HIS A 42 10.170 -6.060 6.612 1.00 70.21 C ATOM 601 O HIS A 42 9.854 -5.396 7.607 1.00 14.23 O ATOM 602 CB HIS A 42 10.595 -8.216 7.936 1.00 10.24 C ATOM 603 CG HIS A 42 9.489 -8.798 8.770 1.00 50.23 C ATOM 604 ND1 HIS A 42 9.235 -8.573 10.104 1.00 62.55 N ATOM 605 CD2 HIS A 42 8.532 -9.643 8.293 1.00 43.24 C ATOM 606 CE1 HIS A 42 8.138 -9.286 10.422 1.00 51.32 C ATOM 607 NE2 HIS A 42 7.681 -9.968 9.353 1.00 52.14 N ATOM 0 H HIS A 42 9.968 -8.818 4.953 1.00 51.42 H new ATOM 0 HA HIS A 42 8.989 -7.767 6.589 1.00 64.53 H new ATOM 0 HB2 HIS A 42 11.317 -8.996 7.694 1.00 10.24 H new ATOM 0 HB3 HIS A 42 11.126 -7.459 8.514 1.00 10.24 H new ATOM 0 HD2 HIS A 42 8.446 -9.998 7.277 1.00 43.24 H new ATOM 0 HE1 HIS A 42 7.685 -9.308 11.402 1.00 51.32 H new ATOM 0 HE2 HIS A 42 6.877 -10.595 9.324 1.00 52.14 H new ATOM 614 N ASP A 43 10.585 -5.523 5.468 1.00 2.02 N ATOM 615 CA ASP A 43 11.199 -4.216 5.330 1.00 74.23 C ATOM 616 C ASP A 43 10.119 -3.162 5.162 1.00 42.14 C ATOM 617 O ASP A 43 8.920 -3.461 5.156 1.00 72.20 O ATOM 618 CB ASP A 43 12.192 -4.251 4.148 1.00 52.43 C ATOM 619 CG ASP A 43 13.638 -4.552 4.523 1.00 14.13 C ATOM 620 OD1 ASP A 43 14.040 -4.271 5.672 1.00 53.02 O ATOM 621 OD2 ASP A 43 14.404 -4.969 3.627 1.00 74.15 O ATOM 0 H ASP A 43 10.496 -6.012 4.577 1.00 2.02 H new ATOM 0 HA ASP A 43 11.762 -3.953 6.225 1.00 74.23 H new ATOM 0 HB2 ASP A 43 11.855 -5.002 3.434 1.00 52.43 H new ATOM 0 HB3 ASP A 43 12.159 -3.288 3.638 1.00 52.43 H new ATOM 625 N SER A 44 10.542 -1.917 4.994 1.00 32.23 N ATOM 626 CA SER A 44 9.653 -0.801 4.738 1.00 51.24 C ATOM 627 C SER A 44 10.283 0.185 3.754 1.00 21.12 C ATOM 628 O SER A 44 11.509 0.227 3.607 1.00 14.41 O ATOM 629 CB SER A 44 9.258 -0.151 6.070 1.00 74.24 C ATOM 630 OG SER A 44 10.371 -0.006 6.944 1.00 23.01 O ATOM 0 H SER A 44 11.527 -1.654 5.033 1.00 32.23 H new ATOM 0 HA SER A 44 8.740 -1.156 4.261 1.00 51.24 H new ATOM 0 HB2 SER A 44 8.817 0.827 5.879 1.00 74.24 H new ATOM 0 HB3 SER A 44 8.492 -0.756 6.556 1.00 74.24 H new ATOM 0 HG SER A 44 10.078 0.413 7.780 1.00 23.01 H new ATOM 635 N ILE A 45 9.423 0.953 3.083 1.00 45.42 N ATOM 636 CA ILE A 45 9.729 2.145 2.301 1.00 5.32 C ATOM 637 C ILE A 45 8.523 3.072 2.428 1.00 31.31 C ATOM 638 O ILE A 45 7.405 2.615 2.698 1.00 61.10 O ATOM 639 CB ILE A 45 10.060 1.788 0.829 1.00 52.33 C ATOM 640 CG1 ILE A 45 10.685 2.985 0.073 1.00 42.24 C ATOM 641 CG2 ILE A 45 8.825 1.266 0.070 1.00 13.11 C ATOM 642 CD1 ILE A 45 11.379 2.591 -1.238 1.00 11.11 C ATOM 0 H ILE A 45 8.425 0.741 3.073 1.00 45.42 H new ATOM 0 HA ILE A 45 10.622 2.645 2.676 1.00 5.32 H new ATOM 0 HB ILE A 45 10.797 0.986 0.867 1.00 52.33 H new ATOM 0 HG12 ILE A 45 9.904 3.714 -0.144 1.00 42.24 H new ATOM 0 HG13 ILE A 45 11.408 3.477 0.723 1.00 42.24 H new ATOM 0 HG21 ILE A 45 9.103 1.028 -0.957 1.00 13.11 H new ATOM 0 HG22 ILE A 45 8.449 0.369 0.561 1.00 13.11 H new ATOM 0 HG23 ILE A 45 8.049 2.031 0.068 1.00 13.11 H new ATOM 0 HD11 ILE A 45 11.793 3.481 -1.712 1.00 11.11 H new ATOM 0 HD12 ILE A 45 12.182 1.885 -1.027 1.00 11.11 H new ATOM 0 HD13 ILE A 45 10.655 2.127 -1.908 1.00 11.11 H new ATOM 653 N ASP A 46 8.730 4.357 2.168 1.00 63.04 N ATOM 654 CA ASP A 46 7.679 5.355 2.111 1.00 14.32 C ATOM 655 C ASP A 46 7.977 6.286 0.945 1.00 14.43 C ATOM 656 O ASP A 46 9.143 6.538 0.613 1.00 3.13 O ATOM 657 CB ASP A 46 7.486 6.153 3.419 1.00 41.11 C ATOM 658 CG ASP A 46 8.535 6.011 4.526 1.00 43.31 C ATOM 659 OD1 ASP A 46 8.730 4.911 5.088 1.00 14.43 O ATOM 660 OD2 ASP A 46 9.091 7.056 4.937 1.00 33.03 O ATOM 0 H ASP A 46 9.658 4.739 1.987 1.00 63.04 H new ATOM 0 HA ASP A 46 6.734 4.831 1.968 1.00 14.32 H new ATOM 0 HB2 ASP A 46 7.423 7.209 3.156 1.00 41.11 H new ATOM 0 HB3 ASP A 46 6.521 5.871 3.839 1.00 41.11 H new ATOM 664 N PHE A 47 6.902 6.772 0.330 1.00 53.50 N ATOM 665 CA PHE A 47 6.923 7.665 -0.822 1.00 31.02 C ATOM 666 C PHE A 47 5.738 8.628 -0.740 1.00 50.33 C ATOM 667 O PHE A 47 4.750 8.387 -0.036 1.00 71.04 O ATOM 668 CB PHE A 47 6.900 6.863 -2.136 1.00 44.22 C ATOM 669 CG PHE A 47 5.904 5.729 -2.162 1.00 30.35 C ATOM 670 CD1 PHE A 47 6.307 4.469 -1.685 1.00 10.14 C ATOM 671 CD2 PHE A 47 4.590 5.931 -2.624 1.00 43.40 C ATOM 672 CE1 PHE A 47 5.390 3.414 -1.634 1.00 52.23 C ATOM 673 CE2 PHE A 47 3.677 4.863 -2.601 1.00 73.11 C ATOM 674 CZ PHE A 47 4.078 3.618 -2.083 1.00 13.34 C ATOM 0 H PHE A 47 5.955 6.545 0.634 1.00 53.50 H new ATOM 0 HA PHE A 47 7.847 8.244 -0.811 1.00 31.02 H new ATOM 0 HB2 PHE A 47 6.678 7.543 -2.958 1.00 44.22 H new ATOM 0 HB3 PHE A 47 7.896 6.459 -2.317 1.00 44.22 H new ATOM 0 HD1 PHE A 47 7.325 4.316 -1.358 1.00 10.14 H new ATOM 0 HD2 PHE A 47 4.286 6.899 -2.993 1.00 43.40 H new ATOM 0 HE1 PHE A 47 5.691 2.450 -1.252 1.00 52.23 H new ATOM 0 HE2 PHE A 47 2.674 4.997 -2.979 1.00 73.11 H new ATOM 0 HZ PHE A 47 3.365 2.808 -2.031 1.00 13.34 H new ATOM 683 N SER A 48 5.833 9.723 -1.489 1.00 3.12 N ATOM 684 CA SER A 48 4.888 10.811 -1.459 1.00 32.12 C ATOM 685 C SER A 48 3.886 10.637 -2.595 1.00 34.14 C ATOM 686 O SER A 48 4.269 10.538 -3.765 1.00 53.12 O ATOM 687 CB SER A 48 5.690 12.103 -1.607 1.00 23.23 C ATOM 688 OG SER A 48 6.164 12.484 -0.330 1.00 54.32 O ATOM 0 H SER A 48 6.596 9.872 -2.150 1.00 3.12 H new ATOM 0 HA SER A 48 4.323 10.836 -0.527 1.00 32.12 H new ATOM 0 HB2 SER A 48 6.524 11.955 -2.292 1.00 23.23 H new ATOM 0 HB3 SER A 48 5.066 12.890 -2.030 1.00 23.23 H new ATOM 0 HG SER A 48 6.683 13.312 -0.407 1.00 54.32 H new ATOM 693 N SER A 49 2.602 10.630 -2.253 1.00 72.34 N ATOM 694 CA SER A 49 1.503 10.850 -3.175 1.00 72.31 C ATOM 695 C SER A 49 1.518 12.287 -3.705 1.00 51.13 C ATOM 696 O SER A 49 2.246 13.140 -3.204 1.00 22.15 O ATOM 697 CB SER A 49 0.181 10.551 -2.445 1.00 5.21 C ATOM 698 OG SER A 49 0.300 10.629 -1.035 1.00 41.11 O ATOM 0 H SER A 49 2.292 10.465 -1.295 1.00 72.34 H new ATOM 0 HA SER A 49 1.606 10.185 -4.032 1.00 72.31 H new ATOM 0 HB2 SER A 49 -0.580 11.255 -2.780 1.00 5.21 H new ATOM 0 HB3 SER A 49 -0.163 9.554 -2.721 1.00 5.21 H new ATOM 0 HG SER A 49 -0.545 10.946 -0.652 1.00 41.11 H new ATOM 703 N ASP A 50 0.652 12.565 -4.679 1.00 3.31 N ATOM 704 CA ASP A 50 0.550 13.836 -5.401 1.00 50.51 C ATOM 705 C ASP A 50 -0.871 14.402 -5.224 1.00 50.30 C ATOM 706 O ASP A 50 -1.356 15.192 -6.036 1.00 24.23 O ATOM 707 CB ASP A 50 0.924 13.627 -6.882 1.00 45.12 C ATOM 708 CG ASP A 50 2.205 12.806 -7.048 1.00 21.04 C ATOM 709 OD1 ASP A 50 2.097 11.557 -7.043 1.00 43.21 O ATOM 710 OD2 ASP A 50 3.316 13.373 -7.081 1.00 62.20 O ATOM 0 H ASP A 50 -0.030 11.879 -5.002 1.00 3.31 H new ATOM 0 HA ASP A 50 1.251 14.566 -4.996 1.00 50.51 H new ATOM 0 HB2 ASP A 50 0.104 13.124 -7.394 1.00 45.12 H new ATOM 0 HB3 ASP A 50 1.052 14.597 -7.362 1.00 45.12 H new ATOM 714 N ALA A 51 -1.585 13.944 -4.185 1.00 23.05 N ATOM 715 CA ALA A 51 -3.006 14.169 -3.940 1.00 4.54 C ATOM 716 C ALA A 51 -3.200 14.723 -2.525 1.00 34.32 C ATOM 717 O ALA A 51 -2.587 14.225 -1.572 1.00 54.20 O ATOM 718 CB ALA A 51 -3.762 12.847 -4.118 1.00 70.23 C ATOM 0 H ALA A 51 -1.156 13.375 -3.455 1.00 23.05 H new ATOM 0 HA ALA A 51 -3.399 14.896 -4.650 1.00 4.54 H new ATOM 0 HB1 ALA A 51 -4.825 13.008 -3.936 1.00 70.23 H new ATOM 0 HB2 ALA A 51 -3.619 12.480 -5.134 1.00 70.23 H new ATOM 0 HB3 ALA A 51 -3.380 12.111 -3.410 1.00 70.23 H new ATOM 724 N GLY A 52 -4.078 15.719 -2.376 1.00 5.51 N ATOM 725 CA GLY A 52 -4.357 16.406 -1.114 1.00 72.41 C ATOM 726 C GLY A 52 -5.081 15.563 -0.058 1.00 3.52 C ATOM 727 O GLY A 52 -5.245 16.023 1.066 1.00 64.21 O ATOM 0 H GLY A 52 -4.630 16.079 -3.154 1.00 5.51 H new ATOM 0 HA2 GLY A 52 -3.414 16.755 -0.693 1.00 72.41 H new ATOM 0 HA3 GLY A 52 -4.959 17.290 -1.325 1.00 72.41 H new ATOM 731 N SER A 53 -5.550 14.361 -0.397 1.00 73.44 N ATOM 732 CA SER A 53 -6.161 13.397 0.517 1.00 70.24 C ATOM 733 C SER A 53 -6.416 12.070 -0.216 1.00 73.43 C ATOM 734 O SER A 53 -6.494 12.035 -1.451 1.00 13.44 O ATOM 735 CB SER A 53 -7.440 13.961 1.166 1.00 45.41 C ATOM 736 OG SER A 53 -8.215 14.777 0.300 1.00 10.21 O ATOM 0 H SER A 53 -5.512 14.019 -1.357 1.00 73.44 H new ATOM 0 HA SER A 53 -5.467 13.202 1.335 1.00 70.24 H new ATOM 0 HB2 SER A 53 -8.055 13.131 1.514 1.00 45.41 H new ATOM 0 HB3 SER A 53 -7.163 14.543 2.045 1.00 45.41 H new ATOM 0 HG SER A 53 -9.009 15.098 0.776 1.00 10.21 H new ATOM 741 N VAL A 54 -6.555 10.981 0.540 1.00 54.41 N ATOM 742 CA VAL A 54 -6.684 9.609 0.069 1.00 51.51 C ATOM 743 C VAL A 54 -7.794 8.955 0.888 1.00 42.34 C ATOM 744 O VAL A 54 -7.596 8.609 2.051 1.00 31.44 O ATOM 745 CB VAL A 54 -5.334 8.863 0.222 1.00 53.11 C ATOM 746 CG1 VAL A 54 -5.464 7.370 -0.118 1.00 70.43 C ATOM 747 CG2 VAL A 54 -4.254 9.488 -0.676 1.00 71.40 C ATOM 0 H VAL A 54 -6.582 11.041 1.558 1.00 54.41 H new ATOM 0 HA VAL A 54 -6.941 9.573 -0.990 1.00 51.51 H new ATOM 0 HB VAL A 54 -5.041 8.960 1.268 1.00 53.11 H new ATOM 0 HG11 VAL A 54 -4.496 6.884 0.002 1.00 70.43 H new ATOM 0 HG12 VAL A 54 -6.188 6.906 0.552 1.00 70.43 H new ATOM 0 HG13 VAL A 54 -5.800 7.260 -1.149 1.00 70.43 H new ATOM 0 HG21 VAL A 54 -3.317 8.946 -0.549 1.00 71.40 H new ATOM 0 HG22 VAL A 54 -4.569 9.430 -1.718 1.00 71.40 H new ATOM 0 HG23 VAL A 54 -4.109 10.532 -0.398 1.00 71.40 H new ATOM 757 N TYR A 55 -8.965 8.767 0.275 1.00 34.34 N ATOM 758 CA TYR A 55 -10.083 8.045 0.878 1.00 64.04 C ATOM 759 C TYR A 55 -10.253 6.621 0.307 1.00 12.12 C ATOM 760 O TYR A 55 -11.243 5.961 0.620 1.00 40.54 O ATOM 761 CB TYR A 55 -11.361 8.900 0.862 1.00 33.14 C ATOM 762 CG TYR A 55 -11.647 9.702 -0.393 1.00 33.04 C ATOM 763 CD1 TYR A 55 -11.487 9.127 -1.666 1.00 42.12 C ATOM 764 CD2 TYR A 55 -12.109 11.028 -0.277 1.00 61.24 C ATOM 765 CE1 TYR A 55 -11.749 9.883 -2.820 1.00 53.33 C ATOM 766 CE2 TYR A 55 -12.410 11.780 -1.427 1.00 61.30 C ATOM 767 CZ TYR A 55 -12.234 11.209 -2.708 1.00 52.54 C ATOM 768 OH TYR A 55 -12.576 11.908 -3.828 1.00 61.44 O ATOM 0 H TYR A 55 -9.164 9.116 -0.663 1.00 34.34 H new ATOM 0 HA TYR A 55 -9.850 7.876 1.929 1.00 64.04 H new ATOM 0 HB2 TYR A 55 -12.210 8.240 1.041 1.00 33.14 H new ATOM 0 HB3 TYR A 55 -11.313 9.593 1.702 1.00 33.14 H new ATOM 0 HD1 TYR A 55 -11.162 8.101 -1.757 1.00 42.12 H new ATOM 0 HD2 TYR A 55 -12.233 11.470 0.701 1.00 61.24 H new ATOM 0 HE1 TYR A 55 -11.580 9.452 -3.796 1.00 53.33 H new ATOM 0 HE2 TYR A 55 -12.775 12.792 -1.331 1.00 61.30 H new ATOM 0 HH TYR A 55 -12.891 12.800 -3.573 1.00 61.44 H new ATOM 777 N LYS A 56 -9.330 6.117 -0.524 1.00 23.35 N ATOM 778 CA LYS A 56 -9.368 4.757 -1.081 1.00 73.20 C ATOM 779 C LYS A 56 -7.967 4.307 -1.469 1.00 30.31 C ATOM 780 O LYS A 56 -7.127 5.165 -1.731 1.00 63.22 O ATOM 781 CB LYS A 56 -10.350 4.701 -2.267 1.00 42.32 C ATOM 782 CG LYS A 56 -10.043 5.668 -3.434 1.00 21.31 C ATOM 783 CD LYS A 56 -11.299 6.116 -4.205 1.00 60.03 C ATOM 784 CE LYS A 56 -11.949 5.030 -5.072 1.00 60.04 C ATOM 785 NZ LYS A 56 -12.704 4.016 -4.322 1.00 3.44 N ATOM 0 H LYS A 56 -8.520 6.654 -0.834 1.00 23.35 H new ATOM 0 HA LYS A 56 -9.730 4.062 -0.324 1.00 73.20 H new ATOM 0 HB2 LYS A 56 -10.364 3.683 -2.656 1.00 42.32 H new ATOM 0 HB3 LYS A 56 -11.352 4.914 -1.896 1.00 42.32 H new ATOM 0 HG2 LYS A 56 -9.533 6.548 -3.042 1.00 21.31 H new ATOM 0 HG3 LYS A 56 -9.355 5.183 -4.126 1.00 21.31 H new ATOM 0 HD2 LYS A 56 -12.037 6.478 -3.489 1.00 60.03 H new ATOM 0 HD3 LYS A 56 -11.034 6.959 -4.843 1.00 60.03 H new ATOM 0 HE2 LYS A 56 -12.619 5.508 -5.787 1.00 60.04 H new ATOM 0 HE3 LYS A 56 -11.171 4.531 -5.649 1.00 60.04 H new ATOM 0 HZ1 LYS A 56 -13.513 3.694 -4.891 1.00 3.44 H new ATOM 0 HZ2 LYS A 56 -12.085 3.207 -4.112 1.00 3.44 H new ATOM 0 HZ3 LYS A 56 -13.049 4.428 -3.432 1.00 3.44 H new ATOM 795 N MET A 57 -7.708 2.999 -1.481 1.00 54.54 N ATOM 796 CA MET A 57 -6.405 2.445 -1.817 1.00 65.43 C ATOM 797 C MET A 57 -6.634 1.088 -2.471 1.00 45.44 C ATOM 798 O MET A 57 -7.280 0.234 -1.870 1.00 44.52 O ATOM 799 CB MET A 57 -5.543 2.334 -0.547 1.00 51.43 C ATOM 800 CG MET A 57 -4.131 1.847 -0.881 1.00 50.22 C ATOM 801 SD MET A 57 -3.206 2.916 -2.003 1.00 24.25 S ATOM 802 CE MET A 57 -2.172 3.807 -0.820 1.00 61.21 C ATOM 0 H MET A 57 -8.407 2.291 -1.255 1.00 54.54 H new ATOM 0 HA MET A 57 -5.867 3.090 -2.512 1.00 65.43 H new ATOM 0 HB2 MET A 57 -5.489 3.305 -0.054 1.00 51.43 H new ATOM 0 HB3 MET A 57 -6.012 1.645 0.156 1.00 51.43 H new ATOM 0 HG2 MET A 57 -3.568 1.745 0.047 1.00 50.22 H new ATOM 0 HG3 MET A 57 -4.200 0.853 -1.323 1.00 50.22 H new ATOM 0 HE1 MET A 57 -1.223 4.066 -1.289 1.00 61.21 H new ATOM 0 HE2 MET A 57 -2.681 4.718 -0.505 1.00 61.21 H new ATOM 0 HE3 MET A 57 -1.987 3.176 0.049 1.00 61.21 H new ATOM 810 N ASP A 58 -6.099 0.886 -3.672 1.00 1.51 N ATOM 811 CA ASP A 58 -6.172 -0.346 -4.446 1.00 44.53 C ATOM 812 C ASP A 58 -4.735 -0.792 -4.703 1.00 43.33 C ATOM 813 O ASP A 58 -3.957 -0.116 -5.380 1.00 74.04 O ATOM 814 CB ASP A 58 -6.981 -0.173 -5.741 1.00 45.32 C ATOM 815 CG ASP A 58 -8.492 -0.245 -5.498 1.00 42.31 C ATOM 816 OD1 ASP A 58 -9.092 0.798 -5.168 1.00 71.12 O ATOM 817 OD2 ASP A 58 -9.102 -1.323 -5.725 1.00 13.44 O ATOM 0 H ASP A 58 -5.576 1.616 -4.155 1.00 1.51 H new ATOM 0 HA ASP A 58 -6.709 -1.116 -3.892 1.00 44.53 H new ATOM 0 HB2 ASP A 58 -6.734 0.786 -6.195 1.00 45.32 H new ATOM 0 HB3 ASP A 58 -6.693 -0.947 -6.453 1.00 45.32 H new ATOM 821 N VAL A 59 -4.349 -1.905 -4.089 1.00 72.42 N ATOM 822 CA VAL A 59 -3.001 -2.468 -4.096 1.00 32.03 C ATOM 823 C VAL A 59 -3.008 -3.797 -4.844 1.00 22.41 C ATOM 824 O VAL A 59 -3.990 -4.536 -4.749 1.00 12.22 O ATOM 825 CB VAL A 59 -2.534 -2.687 -2.644 1.00 31.02 C ATOM 826 CG1 VAL A 59 -1.034 -2.993 -2.631 1.00 11.33 C ATOM 827 CG2 VAL A 59 -2.852 -1.508 -1.707 1.00 43.24 C ATOM 0 H VAL A 59 -5.001 -2.469 -3.544 1.00 72.42 H new ATOM 0 HA VAL A 59 -2.318 -1.781 -4.596 1.00 32.03 H new ATOM 0 HB VAL A 59 -3.097 -3.535 -2.255 1.00 31.02 H new ATOM 0 HG11 VAL A 59 -0.703 -3.148 -1.604 1.00 11.33 H new ATOM 0 HG12 VAL A 59 -0.841 -3.894 -3.214 1.00 11.33 H new ATOM 0 HG13 VAL A 59 -0.488 -2.156 -3.066 1.00 11.33 H new ATOM 0 HG21 VAL A 59 -2.494 -1.735 -0.703 1.00 43.24 H new ATOM 0 HG22 VAL A 59 -2.358 -0.608 -2.074 1.00 43.24 H new ATOM 0 HG23 VAL A 59 -3.929 -1.345 -1.680 1.00 43.24 H new ATOM 837 N THR A 60 -1.928 -4.121 -5.564 1.00 21.34 N ATOM 838 CA THR A 60 -1.888 -5.291 -6.432 1.00 34.51 C ATOM 839 C THR A 60 -0.435 -5.521 -6.854 1.00 11.31 C ATOM 840 O THR A 60 0.128 -4.785 -7.671 1.00 45.20 O ATOM 841 CB THR A 60 -2.931 -5.096 -7.565 1.00 13.02 C ATOM 842 OG1 THR A 60 -2.894 -6.062 -8.596 1.00 23.53 O ATOM 843 CG2 THR A 60 -2.968 -3.711 -8.196 1.00 5.42 C ATOM 0 H THR A 60 -1.064 -3.579 -5.558 1.00 21.34 H new ATOM 0 HA THR A 60 -2.186 -6.219 -5.943 1.00 34.51 H new ATOM 0 HB THR A 60 -3.852 -5.234 -6.999 1.00 13.02 H new ATOM 0 HG1 THR A 60 -3.585 -5.858 -9.260 1.00 23.53 H new ATOM 0 HG21 THR A 60 -3.731 -3.686 -8.974 1.00 5.42 H new ATOM 0 HG22 THR A 60 -3.204 -2.970 -7.433 1.00 5.42 H new ATOM 0 HG23 THR A 60 -1.996 -3.484 -8.634 1.00 5.42 H new ATOM 851 N GLY A 61 0.217 -6.512 -6.243 1.00 70.42 N ATOM 852 CA GLY A 61 1.616 -6.835 -6.512 1.00 10.14 C ATOM 853 C GLY A 61 1.888 -8.322 -6.324 1.00 50.15 C ATOM 854 O GLY A 61 0.984 -9.066 -5.955 1.00 2.34 O ATOM 0 H GLY A 61 -0.215 -7.116 -5.544 1.00 70.42 H new ATOM 0 HA2 GLY A 61 1.869 -6.543 -7.531 1.00 10.14 H new ATOM 0 HA3 GLY A 61 2.259 -6.259 -5.846 1.00 10.14 H new ATOM 858 N THR A 62 3.128 -8.749 -6.583 1.00 13.04 N ATOM 859 CA THR A 62 3.515 -10.150 -6.696 1.00 53.14 C ATOM 860 C THR A 62 4.758 -10.485 -5.842 1.00 65.52 C ATOM 861 O THR A 62 5.681 -9.668 -5.733 1.00 23.53 O ATOM 862 CB THR A 62 3.714 -10.536 -8.184 1.00 31.20 C ATOM 863 OG1 THR A 62 2.916 -9.740 -9.055 1.00 71.41 O ATOM 864 CG2 THR A 62 3.377 -12.008 -8.424 1.00 2.13 C ATOM 0 H THR A 62 3.909 -8.108 -6.723 1.00 13.04 H new ATOM 0 HA THR A 62 2.701 -10.754 -6.294 1.00 53.14 H new ATOM 0 HB THR A 62 4.766 -10.357 -8.406 1.00 31.20 H new ATOM 0 HG1 THR A 62 3.072 -10.014 -9.983 1.00 71.41 H new ATOM 0 HG21 THR A 62 3.526 -12.248 -9.477 1.00 2.13 H new ATOM 0 HG22 THR A 62 4.027 -12.634 -7.813 1.00 2.13 H new ATOM 0 HG23 THR A 62 2.337 -12.192 -8.154 1.00 2.13 H new ATOM 872 N THR A 63 4.804 -11.673 -5.246 1.00 64.21 N ATOM 873 CA THR A 63 5.897 -12.212 -4.446 1.00 25.42 C ATOM 874 C THR A 63 7.022 -12.731 -5.333 1.00 13.42 C ATOM 875 O THR A 63 6.883 -12.834 -6.556 1.00 13.20 O ATOM 876 CB THR A 63 5.350 -13.306 -3.500 1.00 10.02 C ATOM 877 OG1 THR A 63 5.092 -14.512 -4.187 1.00 14.32 O ATOM 878 CG2 THR A 63 4.073 -12.855 -2.815 1.00 51.44 C ATOM 0 H THR A 63 4.025 -12.328 -5.315 1.00 64.21 H new ATOM 0 HA THR A 63 6.325 -11.416 -3.837 1.00 25.42 H new ATOM 0 HB THR A 63 6.124 -13.480 -2.753 1.00 10.02 H new ATOM 0 HG1 THR A 63 4.620 -15.132 -3.593 1.00 14.32 H new ATOM 0 HG21 THR A 63 3.714 -13.646 -2.157 1.00 51.44 H new ATOM 0 HG22 THR A 63 4.272 -11.958 -2.229 1.00 51.44 H new ATOM 0 HG23 THR A 63 3.315 -12.636 -3.567 1.00 51.44 H new ATOM 886 N GLN A 64 8.148 -13.080 -4.712 1.00 13.13 N ATOM 887 CA GLN A 64 9.202 -13.856 -5.322 1.00 51.14 C ATOM 888 C GLN A 64 8.608 -15.145 -5.915 1.00 14.40 C ATOM 889 O GLN A 64 8.836 -15.413 -7.092 1.00 24.14 O ATOM 890 CB GLN A 64 10.271 -14.084 -4.253 1.00 44.31 C ATOM 891 CG GLN A 64 11.389 -15.026 -4.718 1.00 21.21 C ATOM 892 CD GLN A 64 12.591 -15.011 -3.777 1.00 41.43 C ATOM 893 OE1 GLN A 64 13.127 -16.038 -3.387 1.00 45.24 O ATOM 894 NE2 GLN A 64 13.079 -13.832 -3.429 1.00 25.42 N ATOM 0 H GLN A 64 8.348 -12.819 -3.746 1.00 13.13 H new ATOM 0 HA GLN A 64 9.676 -13.344 -6.159 1.00 51.14 H new ATOM 0 HB2 GLN A 64 10.705 -13.125 -3.970 1.00 44.31 H new ATOM 0 HB3 GLN A 64 9.802 -14.498 -3.360 1.00 44.31 H new ATOM 0 HG2 GLN A 64 10.999 -16.041 -4.789 1.00 21.21 H new ATOM 0 HG3 GLN A 64 11.711 -14.738 -5.719 1.00 21.21 H new ATOM 0 HE21 GLN A 64 12.629 -12.977 -3.756 1.00 25.42 H new ATOM 0 HE22 GLN A 64 13.905 -13.778 -2.833 1.00 25.42 H new ATOM 901 N SER A 65 7.772 -15.860 -5.154 1.00 11.42 N ATOM 902 CA SER A 65 7.046 -17.062 -5.572 1.00 32.31 C ATOM 903 C SER A 65 5.967 -16.805 -6.631 1.00 23.24 C ATOM 904 O SER A 65 5.279 -17.746 -7.030 1.00 4.10 O ATOM 905 CB SER A 65 6.366 -17.677 -4.349 1.00 25.20 C ATOM 906 OG SER A 65 7.278 -18.377 -3.524 1.00 23.20 O ATOM 0 H SER A 65 7.575 -15.604 -4.187 1.00 11.42 H new ATOM 0 HA SER A 65 7.786 -17.726 -6.019 1.00 32.31 H new ATOM 0 HB2 SER A 65 5.885 -16.889 -3.769 1.00 25.20 H new ATOM 0 HB3 SER A 65 5.580 -18.357 -4.677 1.00 25.20 H new ATOM 0 HG SER A 65 6.801 -18.752 -2.754 1.00 23.20 H new ATOM 911 N GLY A 66 5.798 -15.574 -7.113 1.00 3.31 N ATOM 912 CA GLY A 66 4.831 -15.305 -8.157 1.00 42.04 C ATOM 913 C GLY A 66 3.401 -15.258 -7.632 1.00 23.51 C ATOM 914 O GLY A 66 2.470 -15.269 -8.436 1.00 62.42 O ATOM 0 H GLY A 66 6.319 -14.757 -6.794 1.00 3.31 H new ATOM 0 HA2 GLY A 66 5.071 -14.354 -8.633 1.00 42.04 H new ATOM 0 HA3 GLY A 66 4.907 -16.075 -8.925 1.00 42.04 H new ATOM 918 N GLU A 67 3.203 -15.194 -6.312 1.00 44.02 N ATOM 919 CA GLU A 67 1.874 -15.106 -5.738 1.00 44.43 C ATOM 920 C GLU A 67 1.475 -13.662 -5.763 1.00 72.15 C ATOM 921 O GLU A 67 2.325 -12.780 -5.710 1.00 1.12 O ATOM 922 CB GLU A 67 1.861 -15.531 -4.276 1.00 33.10 C ATOM 923 CG GLU A 67 2.250 -16.982 -4.062 1.00 5.02 C ATOM 924 CD GLU A 67 3.064 -17.153 -2.773 1.00 32.13 C ATOM 925 OE1 GLU A 67 4.033 -16.367 -2.578 1.00 32.30 O ATOM 926 OE2 GLU A 67 2.745 -18.070 -1.989 1.00 3.31 O ATOM 0 H GLU A 67 3.957 -15.202 -5.625 1.00 44.02 H new ATOM 0 HA GLU A 67 1.208 -15.754 -6.307 1.00 44.43 H new ATOM 0 HB2 GLU A 67 2.544 -14.894 -3.715 1.00 33.10 H new ATOM 0 HB3 GLU A 67 0.864 -15.367 -3.867 1.00 33.10 H new ATOM 0 HG2 GLU A 67 1.352 -17.599 -4.013 1.00 5.02 H new ATOM 0 HG3 GLU A 67 2.833 -17.334 -4.913 1.00 5.02 H new ATOM 931 N LYS A 68 0.187 -13.402 -5.785 1.00 21.44 N ATOM 932 CA LYS A 68 -0.337 -12.079 -5.976 1.00 25.13 C ATOM 933 C LYS A 68 -1.227 -11.715 -4.817 1.00 4.03 C ATOM 934 O LYS A 68 -2.293 -12.298 -4.602 1.00 45.12 O ATOM 935 CB LYS A 68 -1.015 -12.055 -7.327 1.00 53.33 C ATOM 936 CG LYS A 68 -1.529 -10.653 -7.594 1.00 51.21 C ATOM 937 CD LYS A 68 -2.324 -10.574 -8.895 1.00 21.24 C ATOM 938 CE LYS A 68 -2.985 -9.192 -8.949 1.00 11.12 C ATOM 939 NZ LYS A 68 -4.022 -9.094 -9.990 1.00 71.21 N ATOM 0 H LYS A 68 -0.531 -14.117 -5.669 1.00 21.44 H new ATOM 0 HA LYS A 68 0.440 -11.314 -5.986 1.00 25.13 H new ATOM 0 HB2 LYS A 68 -0.314 -12.354 -8.106 1.00 53.33 H new ATOM 0 HB3 LYS A 68 -1.838 -12.769 -7.348 1.00 53.33 H new ATOM 0 HG2 LYS A 68 -2.159 -10.334 -6.764 1.00 51.21 H new ATOM 0 HG3 LYS A 68 -0.688 -9.961 -7.640 1.00 51.21 H new ATOM 0 HD2 LYS A 68 -1.669 -10.719 -9.754 1.00 21.24 H new ATOM 0 HD3 LYS A 68 -3.077 -11.361 -8.932 1.00 21.24 H new ATOM 0 HE2 LYS A 68 -3.429 -8.969 -7.979 1.00 11.12 H new ATOM 0 HE3 LYS A 68 -2.221 -8.436 -9.132 1.00 11.12 H new ATOM 0 HZ1 LYS A 68 -4.434 -8.139 -9.981 1.00 71.21 H new ATOM 0 HZ2 LYS A 68 -3.598 -9.279 -10.921 1.00 71.21 H new ATOM 0 HZ3 LYS A 68 -4.768 -9.795 -9.804 1.00 71.21 H new ATOM 949 N PHE A 69 -0.750 -10.700 -4.111 1.00 51.05 N ATOM 950 CA PHE A 69 -1.444 -10.026 -3.061 1.00 13.23 C ATOM 951 C PHE A 69 -2.353 -8.988 -3.731 1.00 30.54 C ATOM 952 O PHE A 69 -1.930 -8.360 -4.712 1.00 72.33 O ATOM 953 CB PHE A 69 -0.455 -9.375 -2.114 1.00 10.44 C ATOM 954 CG PHE A 69 0.773 -8.679 -2.671 1.00 32.44 C ATOM 955 CD1 PHE A 69 1.928 -9.445 -2.934 1.00 73.12 C ATOM 956 CD2 PHE A 69 0.797 -7.281 -2.824 1.00 13.24 C ATOM 957 CE1 PHE A 69 3.118 -8.779 -3.271 1.00 54.21 C ATOM 958 CE2 PHE A 69 1.998 -6.618 -3.147 1.00 30.42 C ATOM 959 CZ PHE A 69 3.170 -7.373 -3.339 1.00 41.13 C ATOM 0 H PHE A 69 0.181 -10.317 -4.276 1.00 51.05 H new ATOM 0 HA PHE A 69 -2.039 -10.717 -2.464 1.00 13.23 H new ATOM 0 HB2 PHE A 69 -1.004 -8.642 -1.523 1.00 10.44 H new ATOM 0 HB3 PHE A 69 -0.108 -10.145 -1.425 1.00 10.44 H new ATOM 0 HD1 PHE A 69 1.898 -10.523 -2.877 1.00 73.12 H new ATOM 0 HD2 PHE A 69 -0.111 -6.712 -2.693 1.00 13.24 H new ATOM 0 HE1 PHE A 69 4.007 -9.354 -3.481 1.00 54.21 H new ATOM 0 HE2 PHE A 69 2.019 -5.543 -3.246 1.00 30.42 H new ATOM 0 HZ PHE A 69 4.108 -6.875 -3.538 1.00 41.13 H new ATOM 968 N THR A 70 -3.538 -8.713 -3.198 1.00 43.11 N ATOM 969 CA THR A 70 -4.278 -7.498 -3.545 1.00 24.34 C ATOM 970 C THR A 70 -4.871 -6.878 -2.290 1.00 3.04 C ATOM 971 O THR A 70 -4.990 -7.543 -1.262 1.00 52.31 O ATOM 972 CB THR A 70 -5.333 -7.735 -4.646 1.00 63.50 C ATOM 973 OG1 THR A 70 -6.243 -8.777 -4.340 1.00 71.44 O ATOM 974 CG2 THR A 70 -4.753 -7.976 -6.039 1.00 71.30 C ATOM 0 H THR A 70 -4.010 -9.314 -2.523 1.00 43.11 H new ATOM 0 HA THR A 70 -3.575 -6.786 -3.977 1.00 24.34 H new ATOM 0 HB THR A 70 -5.872 -6.788 -4.669 1.00 63.50 H new ATOM 0 HG1 THR A 70 -6.885 -8.876 -5.074 1.00 71.44 H new ATOM 0 HG21 THR A 70 -5.565 -8.133 -6.749 1.00 71.30 H new ATOM 0 HG22 THR A 70 -4.167 -7.109 -6.344 1.00 71.30 H new ATOM 0 HG23 THR A 70 -4.113 -8.858 -6.019 1.00 71.30 H new ATOM 982 N GLY A 71 -5.181 -5.584 -2.377 1.00 62.14 N ATOM 983 CA GLY A 71 -5.706 -4.796 -1.274 1.00 25.12 C ATOM 984 C GLY A 71 -6.689 -3.766 -1.778 1.00 74.11 C ATOM 985 O GLY A 71 -6.269 -2.672 -2.144 1.00 4.55 O ATOM 0 H GLY A 71 -5.070 -5.048 -3.237 1.00 62.14 H new ATOM 0 HA2 GLY A 71 -6.195 -5.451 -0.552 1.00 25.12 H new ATOM 0 HA3 GLY A 71 -4.887 -4.301 -0.752 1.00 25.12 H new ATOM 989 N HIS A 72 -7.967 -4.118 -1.864 1.00 73.23 N ATOM 990 CA HIS A 72 -8.996 -3.294 -2.497 1.00 51.30 C ATOM 991 C HIS A 72 -9.856 -2.544 -1.462 1.00 13.33 C ATOM 992 O HIS A 72 -10.951 -3.005 -1.119 1.00 23.05 O ATOM 993 CB HIS A 72 -9.827 -4.210 -3.401 1.00 53.10 C ATOM 994 CG HIS A 72 -9.061 -4.771 -4.566 1.00 33.42 C ATOM 995 ND1 HIS A 72 -8.696 -4.077 -5.694 1.00 32.02 N ATOM 996 CD2 HIS A 72 -8.690 -6.073 -4.734 1.00 60.14 C ATOM 997 CE1 HIS A 72 -8.156 -4.956 -6.547 1.00 2.22 C ATOM 998 NE2 HIS A 72 -8.139 -6.195 -6.020 1.00 63.52 N ATOM 0 H HIS A 72 -8.325 -4.997 -1.491 1.00 73.23 H new ATOM 0 HA HIS A 72 -8.534 -2.509 -3.096 1.00 51.30 H new ATOM 0 HB2 HIS A 72 -10.219 -5.034 -2.805 1.00 53.10 H new ATOM 0 HB3 HIS A 72 -10.685 -3.653 -3.777 1.00 53.10 H new ATOM 0 HD1 HIS A 72 -8.815 -3.076 -5.852 1.00 32.02 H new ATOM 0 HD2 HIS A 72 -8.800 -6.866 -4.009 1.00 60.14 H new ATOM 0 HE1 HIS A 72 -7.783 -4.704 -7.529 1.00 2.22 H new ATOM 1005 N PHE A 73 -9.392 -1.387 -0.980 1.00 33.04 N ATOM 1006 CA PHE A 73 -9.954 -0.664 0.166 1.00 24.24 C ATOM 1007 C PHE A 73 -10.633 0.651 -0.221 1.00 40.42 C ATOM 1008 O PHE A 73 -10.215 1.340 -1.157 1.00 42.52 O ATOM 1009 CB PHE A 73 -8.834 -0.303 1.146 1.00 33.14 C ATOM 1010 CG PHE A 73 -7.976 -1.457 1.599 1.00 35.35 C ATOM 1011 CD1 PHE A 73 -8.442 -2.309 2.615 1.00 44.54 C ATOM 1012 CD2 PHE A 73 -6.705 -1.655 1.033 1.00 11.35 C ATOM 1013 CE1 PHE A 73 -7.611 -3.333 3.097 1.00 24.13 C ATOM 1014 CE2 PHE A 73 -5.874 -2.675 1.518 1.00 22.04 C ATOM 1015 CZ PHE A 73 -6.322 -3.499 2.564 1.00 11.32 C ATOM 0 H PHE A 73 -8.588 -0.912 -1.390 1.00 33.04 H new ATOM 0 HA PHE A 73 -10.697 -1.331 0.603 1.00 24.24 H new ATOM 0 HB2 PHE A 73 -8.192 0.444 0.679 1.00 33.14 H new ATOM 0 HB3 PHE A 73 -9.279 0.164 2.025 1.00 33.14 H new ATOM 0 HD1 PHE A 73 -9.433 -2.177 3.023 1.00 44.54 H new ATOM 0 HD2 PHE A 73 -6.369 -1.022 0.225 1.00 11.35 H new ATOM 0 HE1 PHE A 73 -7.963 -3.992 3.877 1.00 24.13 H new ATOM 0 HE2 PHE A 73 -4.894 -2.826 1.090 1.00 22.04 H new ATOM 0 HZ PHE A 73 -5.672 -4.265 2.961 1.00 11.32 H new ATOM 1024 N LYS A 74 -11.613 1.081 0.576 1.00 40.43 N ATOM 1025 CA LYS A 74 -12.324 2.352 0.430 1.00 60.23 C ATOM 1026 C LYS A 74 -12.617 2.946 1.811 1.00 62.33 C ATOM 1027 O LYS A 74 -12.326 2.331 2.833 1.00 12.15 O ATOM 1028 CB LYS A 74 -13.615 2.124 -0.384 1.00 72.13 C ATOM 1029 CG LYS A 74 -13.385 1.981 -1.890 1.00 60.44 C ATOM 1030 CD LYS A 74 -13.493 0.533 -2.349 1.00 21.21 C ATOM 1031 CE LYS A 74 -14.936 0.134 -2.699 1.00 75.34 C ATOM 1032 NZ LYS A 74 -15.025 -0.775 -3.860 1.00 3.11 N ATOM 0 H LYS A 74 -11.945 0.533 1.370 1.00 40.43 H new ATOM 0 HA LYS A 74 -11.706 3.069 -0.111 1.00 60.23 H new ATOM 0 HB2 LYS A 74 -14.110 1.226 -0.016 1.00 72.13 H new ATOM 0 HB3 LYS A 74 -14.295 2.958 -0.208 1.00 72.13 H new ATOM 0 HG2 LYS A 74 -14.115 2.587 -2.427 1.00 60.44 H new ATOM 0 HG3 LYS A 74 -12.399 2.369 -2.145 1.00 60.44 H new ATOM 0 HD2 LYS A 74 -12.856 0.383 -3.221 1.00 21.21 H new ATOM 0 HD3 LYS A 74 -13.118 -0.123 -1.563 1.00 21.21 H new ATOM 0 HE2 LYS A 74 -15.393 -0.347 -1.834 1.00 75.34 H new ATOM 0 HE3 LYS A 74 -15.515 1.034 -2.906 1.00 75.34 H new ATOM 0 HZ1 LYS A 74 -16.022 -1.006 -4.044 1.00 3.11 H new ATOM 0 HZ2 LYS A 74 -14.617 -0.311 -4.696 1.00 3.11 H new ATOM 0 HZ3 LYS A 74 -14.499 -1.649 -3.658 1.00 3.11 H new ATOM 1042 N GLY A 75 -13.193 4.149 1.846 1.00 42.14 N ATOM 1043 CA GLY A 75 -13.711 4.752 3.068 1.00 21.05 C ATOM 1044 C GLY A 75 -12.628 5.294 4.001 1.00 22.21 C ATOM 1045 O GLY A 75 -12.856 5.401 5.211 1.00 64.41 O ATOM 0 H GLY A 75 -13.312 4.734 1.019 1.00 42.14 H new ATOM 0 HA2 GLY A 75 -14.387 5.565 2.802 1.00 21.05 H new ATOM 0 HA3 GLY A 75 -14.301 4.010 3.605 1.00 21.05 H new ATOM 1049 N LEU A 76 -11.440 5.599 3.477 1.00 64.03 N ATOM 1050 CA LEU A 76 -10.285 5.904 4.311 1.00 35.12 C ATOM 1051 C LEU A 76 -10.366 7.340 4.843 1.00 15.41 C ATOM 1052 O LEU A 76 -11.137 8.185 4.368 1.00 71.24 O ATOM 1053 CB LEU A 76 -8.964 5.669 3.561 1.00 2.32 C ATOM 1054 CG LEU A 76 -8.819 4.302 2.875 1.00 43.51 C ATOM 1055 CD1 LEU A 76 -7.504 4.273 2.094 1.00 52.23 C ATOM 1056 CD2 LEU A 76 -8.862 3.140 3.870 1.00 72.43 C ATOM 0 H LEU A 76 -11.256 5.640 2.475 1.00 64.03 H new ATOM 0 HA LEU A 76 -10.301 5.221 5.160 1.00 35.12 H new ATOM 0 HB2 LEU A 76 -8.853 6.447 2.806 1.00 2.32 H new ATOM 0 HB3 LEU A 76 -8.141 5.790 4.266 1.00 2.32 H new ATOM 0 HG LEU A 76 -9.666 4.174 2.201 1.00 43.51 H new ATOM 0 HD11 LEU A 76 -7.393 3.306 1.604 1.00 52.23 H new ATOM 0 HD12 LEU A 76 -7.510 5.062 1.342 1.00 52.23 H new ATOM 0 HD13 LEU A 76 -6.671 4.430 2.779 1.00 52.23 H new ATOM 0 HD21 LEU A 76 -8.755 2.197 3.333 1.00 72.43 H new ATOM 0 HD22 LEU A 76 -8.047 3.244 4.586 1.00 72.43 H new ATOM 0 HD23 LEU A 76 -9.814 3.150 4.400 1.00 72.43 H new ATOM 1067 N VAL A 77 -9.517 7.607 5.823 1.00 64.31 N ATOM 1068 CA VAL A 77 -9.308 8.847 6.549 1.00 54.32 C ATOM 1069 C VAL A 77 -7.823 8.926 6.929 1.00 32.43 C ATOM 1070 O VAL A 77 -7.110 7.918 6.906 1.00 23.03 O ATOM 1071 CB VAL A 77 -10.220 8.905 7.799 1.00 53.51 C ATOM 1072 CG1 VAL A 77 -11.636 9.349 7.435 1.00 24.45 C ATOM 1073 CG2 VAL A 77 -10.301 7.581 8.574 1.00 12.11 C ATOM 0 H VAL A 77 -8.890 6.879 6.165 1.00 64.31 H new ATOM 0 HA VAL A 77 -9.571 9.703 5.928 1.00 54.32 H new ATOM 0 HB VAL A 77 -9.749 9.640 8.452 1.00 53.51 H new ATOM 0 HG11 VAL A 77 -12.250 9.379 8.335 1.00 24.45 H new ATOM 0 HG12 VAL A 77 -11.602 10.341 6.985 1.00 24.45 H new ATOM 0 HG13 VAL A 77 -12.067 8.644 6.725 1.00 24.45 H new ATOM 0 HG21 VAL A 77 -10.958 7.703 9.435 1.00 12.11 H new ATOM 0 HG22 VAL A 77 -10.697 6.802 7.923 1.00 12.11 H new ATOM 0 HG23 VAL A 77 -9.305 7.298 8.915 1.00 12.11 H new ATOM 1083 N GLY A 78 -7.364 10.112 7.323 1.00 3.31 N ATOM 1084 CA GLY A 78 -5.993 10.339 7.756 1.00 64.33 C ATOM 1085 C GLY A 78 -5.072 10.644 6.579 1.00 1.43 C ATOM 1086 O GLY A 78 -5.354 10.306 5.428 1.00 42.10 O ATOM 0 H GLY A 78 -7.944 10.951 7.350 1.00 3.31 H new ATOM 0 HA2 GLY A 78 -5.967 11.169 8.462 1.00 64.33 H new ATOM 0 HA3 GLY A 78 -5.628 9.459 8.285 1.00 64.33 H new ATOM 1090 N LYS A 79 -3.967 11.341 6.853 1.00 51.14 N ATOM 1091 CA LYS A 79 -3.108 11.955 5.834 1.00 24.32 C ATOM 1092 C LYS A 79 -1.954 11.064 5.376 1.00 21.04 C ATOM 1093 O LYS A 79 -1.142 11.466 4.542 1.00 25.04 O ATOM 1094 CB LYS A 79 -2.604 13.296 6.388 1.00 31.44 C ATOM 1095 CG LYS A 79 -2.694 14.395 5.329 1.00 4.32 C ATOM 1096 CD LYS A 79 -2.598 15.774 5.992 1.00 71.34 C ATOM 1097 CE LYS A 79 -3.043 16.870 5.021 1.00 64.01 C ATOM 1098 NZ LYS A 79 -3.453 18.077 5.761 1.00 10.42 N ATOM 0 H LYS A 79 -3.637 11.498 7.805 1.00 51.14 H new ATOM 0 HA LYS A 79 -3.702 12.108 4.933 1.00 24.32 H new ATOM 0 HB2 LYS A 79 -3.193 13.578 7.260 1.00 31.44 H new ATOM 0 HB3 LYS A 79 -1.572 13.191 6.721 1.00 31.44 H new ATOM 0 HG2 LYS A 79 -1.891 14.276 4.601 1.00 4.32 H new ATOM 0 HG3 LYS A 79 -3.634 14.310 4.784 1.00 4.32 H new ATOM 0 HD2 LYS A 79 -3.221 15.798 6.886 1.00 71.34 H new ATOM 0 HD3 LYS A 79 -1.573 15.959 6.313 1.00 71.34 H new ATOM 0 HE2 LYS A 79 -2.228 17.113 4.339 1.00 64.01 H new ATOM 0 HE3 LYS A 79 -3.872 16.510 4.412 1.00 64.01 H new ATOM 0 HZ1 LYS A 79 -3.752 18.812 5.088 1.00 10.42 H new ATOM 0 HZ2 LYS A 79 -4.245 17.844 6.394 1.00 10.42 H new ATOM 0 HZ3 LYS A 79 -2.652 18.428 6.323 1.00 10.42 H new ATOM 1108 N ASP A 80 -1.890 9.856 5.901 1.00 63.43 N ATOM 1109 CA ASP A 80 -0.958 8.816 5.501 1.00 12.54 C ATOM 1110 C ASP A 80 -1.753 7.594 5.075 1.00 31.05 C ATOM 1111 O ASP A 80 -2.902 7.429 5.489 1.00 25.33 O ATOM 1112 CB ASP A 80 -0.090 8.446 6.687 1.00 64.02 C ATOM 1113 CG ASP A 80 1.000 7.421 6.379 1.00 74.14 C ATOM 1114 OD1 ASP A 80 0.689 6.218 6.545 1.00 61.30 O ATOM 1115 OD2 ASP A 80 2.148 7.814 6.082 1.00 23.05 O ATOM 0 H ASP A 80 -2.513 9.558 6.651 1.00 63.43 H new ATOM 0 HA ASP A 80 -0.333 9.167 4.680 1.00 12.54 H new ATOM 0 HB2 ASP A 80 0.379 9.351 7.074 1.00 64.02 H new ATOM 0 HB3 ASP A 80 -0.727 8.053 7.479 1.00 64.02 H new ATOM 1119 N THR A 81 -1.136 6.666 4.358 1.00 12.31 N ATOM 1120 CA THR A 81 -1.739 5.391 4.011 1.00 64.32 C ATOM 1121 C THR A 81 -0.697 4.276 4.136 1.00 10.33 C ATOM 1122 O THR A 81 0.118 4.060 3.238 1.00 72.21 O ATOM 1123 CB THR A 81 -2.413 5.474 2.625 1.00 23.13 C ATOM 1124 OG1 THR A 81 -3.021 6.734 2.401 1.00 10.12 O ATOM 1125 CG2 THR A 81 -3.540 4.453 2.564 1.00 21.25 C ATOM 0 H THR A 81 -0.189 6.781 3.997 1.00 12.31 H new ATOM 0 HA THR A 81 -2.538 5.145 4.711 1.00 64.32 H new ATOM 0 HB THR A 81 -1.635 5.299 1.882 1.00 23.13 H new ATOM 0 HG1 THR A 81 -2.863 7.013 1.475 1.00 10.12 H new ATOM 0 HG21 THR A 81 -4.024 4.503 1.588 1.00 21.25 H new ATOM 0 HG22 THR A 81 -3.134 3.453 2.717 1.00 21.25 H new ATOM 0 HG23 THR A 81 -4.271 4.671 3.343 1.00 21.25 H new ATOM 1133 N ARG A 82 -0.691 3.560 5.266 1.00 52.32 N ATOM 1134 CA ARG A 82 0.120 2.350 5.391 1.00 64.04 C ATOM 1135 C ARG A 82 -0.493 1.235 4.571 1.00 21.04 C ATOM 1136 O ARG A 82 -1.693 1.248 4.292 1.00 70.00 O ATOM 1137 CB ARG A 82 0.213 1.883 6.852 1.00 41.10 C ATOM 1138 CG ARG A 82 0.926 2.878 7.767 1.00 70.20 C ATOM 1139 CD ARG A 82 0.815 2.388 9.209 1.00 1.34 C ATOM 1140 NE ARG A 82 1.460 3.326 10.125 1.00 44.30 N ATOM 1141 CZ ARG A 82 1.659 3.144 11.429 1.00 44.22 C ATOM 1142 NH1 ARG A 82 1.183 2.076 12.065 1.00 25.01 N ATOM 1143 NH2 ARG A 82 2.342 4.062 12.087 1.00 1.54 N ATOM 0 H ARG A 82 -1.233 3.796 6.097 1.00 52.32 H new ATOM 0 HA ARG A 82 1.121 2.587 5.031 1.00 64.04 H new ATOM 0 HB2 ARG A 82 -0.793 1.707 7.233 1.00 41.10 H new ATOM 0 HB3 ARG A 82 0.738 0.929 6.887 1.00 41.10 H new ATOM 0 HG2 ARG A 82 1.973 2.971 7.480 1.00 70.20 H new ATOM 0 HG3 ARG A 82 0.479 3.867 7.669 1.00 70.20 H new ATOM 0 HD2 ARG A 82 -0.235 2.272 9.479 1.00 1.34 H new ATOM 0 HD3 ARG A 82 1.278 1.406 9.301 1.00 1.34 H new ATOM 0 HE ARG A 82 1.790 4.205 9.727 1.00 44.30 H new ATOM 0 HH11 ARG A 82 0.651 1.372 11.553 1.00 25.01 H new ATOM 0 HH12 ARG A 82 1.350 1.961 13.065 1.00 25.01 H new ATOM 0 HH21 ARG A 82 2.700 4.881 11.596 1.00 1.54 H new ATOM 0 HH22 ARG A 82 2.512 3.952 13.087 1.00 1.54 H new ATOM 1154 N VAL A 83 0.325 0.225 4.319 1.00 24.21 N ATOM 1155 CA VAL A 83 -0.025 -1.055 3.753 1.00 45.44 C ATOM 1156 C VAL A 83 0.726 -2.076 4.608 1.00 71.11 C ATOM 1157 O VAL A 83 1.959 -2.111 4.564 1.00 4.55 O ATOM 1158 CB VAL A 83 0.413 -1.067 2.279 1.00 33.15 C ATOM 1159 CG1 VAL A 83 0.380 -2.489 1.708 1.00 70.01 C ATOM 1160 CG2 VAL A 83 -0.438 -0.135 1.408 1.00 43.33 C ATOM 0 H VAL A 83 1.322 0.290 4.522 1.00 24.21 H new ATOM 0 HA VAL A 83 -1.092 -1.277 3.760 1.00 45.44 H new ATOM 0 HB VAL A 83 1.438 -0.696 2.258 1.00 33.15 H new ATOM 0 HG11 VAL A 83 0.694 -2.469 0.664 1.00 70.01 H new ATOM 0 HG12 VAL A 83 1.056 -3.126 2.279 1.00 70.01 H new ATOM 0 HG13 VAL A 83 -0.634 -2.884 1.774 1.00 70.01 H new ATOM 0 HG21 VAL A 83 -0.088 -0.180 0.377 1.00 43.33 H new ATOM 0 HG22 VAL A 83 -1.481 -0.448 1.451 1.00 43.33 H new ATOM 0 HG23 VAL A 83 -0.351 0.887 1.776 1.00 43.33 H new ATOM 1170 N PHE A 84 0.008 -2.853 5.422 1.00 31.01 N ATOM 1171 CA PHE A 84 0.546 -4.067 6.035 1.00 61.41 C ATOM 1172 C PHE A 84 0.367 -5.181 5.003 1.00 63.44 C ATOM 1173 O PHE A 84 -0.674 -5.248 4.350 1.00 25.42 O ATOM 1174 CB PHE A 84 -0.183 -4.355 7.363 1.00 70.42 C ATOM 1175 CG PHE A 84 0.094 -3.415 8.539 1.00 52.32 C ATOM 1176 CD1 PHE A 84 1.092 -2.423 8.480 1.00 21.32 C ATOM 1177 CD2 PHE A 84 -0.618 -3.570 9.742 1.00 74.31 C ATOM 1178 CE1 PHE A 84 1.405 -1.634 9.602 1.00 54.41 C ATOM 1179 CE2 PHE A 84 -0.316 -2.778 10.866 1.00 53.34 C ATOM 1180 CZ PHE A 84 0.706 -1.819 10.804 1.00 42.24 C ATOM 0 H PHE A 84 -0.961 -2.658 5.674 1.00 31.01 H new ATOM 0 HA PHE A 84 1.601 -3.973 6.292 1.00 61.41 H new ATOM 0 HB2 PHE A 84 -1.255 -4.343 7.168 1.00 70.42 H new ATOM 0 HB3 PHE A 84 0.073 -5.368 7.674 1.00 70.42 H new ATOM 0 HD1 PHE A 84 1.627 -2.265 7.555 1.00 21.32 H new ATOM 0 HD2 PHE A 84 -1.406 -4.306 9.804 1.00 74.31 H new ATOM 0 HE1 PHE A 84 2.182 -0.887 9.538 1.00 54.41 H new ATOM 0 HE2 PHE A 84 -0.874 -2.909 11.781 1.00 53.34 H new ATOM 0 HZ PHE A 84 0.952 -1.228 11.674 1.00 42.24 H new ATOM 1189 N ILE A 85 1.375 -6.028 4.800 1.00 24.35 N ATOM 1190 CA ILE A 85 1.316 -7.114 3.821 1.00 10.33 C ATOM 1191 C ILE A 85 1.488 -8.395 4.621 1.00 51.32 C ATOM 1192 O ILE A 85 2.500 -8.523 5.309 1.00 71.32 O ATOM 1193 CB ILE A 85 2.410 -6.951 2.732 1.00 30.42 C ATOM 1194 CG1 ILE A 85 2.320 -5.570 2.046 1.00 32.54 C ATOM 1195 CG2 ILE A 85 2.282 -8.056 1.667 1.00 52.25 C ATOM 1196 CD1 ILE A 85 3.443 -5.274 1.043 1.00 64.40 C ATOM 0 H ILE A 85 2.257 -5.981 5.310 1.00 24.35 H new ATOM 0 HA ILE A 85 0.371 -7.119 3.277 1.00 10.33 H new ATOM 0 HB ILE A 85 3.377 -7.033 3.228 1.00 30.42 H new ATOM 0 HG12 ILE A 85 1.363 -5.499 1.529 1.00 32.54 H new ATOM 0 HG13 ILE A 85 2.326 -4.797 2.815 1.00 32.54 H new ATOM 0 HG21 ILE A 85 3.057 -7.925 0.912 1.00 52.25 H new ATOM 0 HG22 ILE A 85 2.396 -9.032 2.139 1.00 52.25 H new ATOM 0 HG23 ILE A 85 1.302 -7.994 1.195 1.00 52.25 H new ATOM 0 HD11 ILE A 85 3.295 -4.283 0.613 1.00 64.40 H new ATOM 0 HD12 ILE A 85 4.405 -5.308 1.554 1.00 64.40 H new ATOM 0 HD13 ILE A 85 3.427 -6.020 0.249 1.00 64.40 H new ATOM 1207 N GLU A 86 0.521 -9.308 4.557 1.00 22.21 N ATOM 1208 CA GLU A 86 0.567 -10.610 5.215 1.00 30.40 C ATOM 1209 C GLU A 86 -0.323 -11.644 4.505 1.00 12.33 C ATOM 1210 O GLU A 86 -1.043 -11.316 3.557 1.00 41.04 O ATOM 1211 CB GLU A 86 0.257 -10.484 6.709 1.00 54.05 C ATOM 1212 CG GLU A 86 -1.109 -9.881 7.052 1.00 10.14 C ATOM 1213 CD GLU A 86 -1.407 -10.039 8.549 1.00 52.25 C ATOM 1214 OE1 GLU A 86 -0.443 -9.993 9.355 1.00 74.23 O ATOM 1215 OE2 GLU A 86 -2.596 -10.213 8.906 1.00 73.34 O ATOM 0 H GLU A 86 -0.340 -9.157 4.031 1.00 22.21 H new ATOM 0 HA GLU A 86 1.586 -10.989 5.136 1.00 30.40 H new ATOM 0 HB2 GLU A 86 0.321 -11.474 7.160 1.00 54.05 H new ATOM 0 HB3 GLU A 86 1.031 -9.872 7.172 1.00 54.05 H new ATOM 0 HG2 GLU A 86 -1.125 -8.825 6.782 1.00 10.14 H new ATOM 0 HG3 GLU A 86 -1.887 -10.372 6.467 1.00 10.14 H new ATOM 1220 N LEU A 87 -0.234 -12.901 4.952 1.00 70.15 N ATOM 1221 CA LEU A 87 -0.906 -14.061 4.364 1.00 63.14 C ATOM 1222 C LEU A 87 -2.123 -14.408 5.210 1.00 2.04 C ATOM 1223 O LEU A 87 -2.021 -14.438 6.439 1.00 50.14 O ATOM 1224 CB LEU A 87 0.005 -15.312 4.309 1.00 31.42 C ATOM 1225 CG LEU A 87 1.464 -15.053 3.898 1.00 2.40 C ATOM 1226 CD1 LEU A 87 2.347 -16.301 4.049 1.00 12.14 C ATOM 1227 CD2 LEU A 87 1.551 -14.594 2.451 1.00 53.04 C ATOM 0 H LEU A 87 0.331 -13.146 5.765 1.00 70.15 H new ATOM 0 HA LEU A 87 -1.180 -13.792 3.344 1.00 63.14 H new ATOM 0 HB2 LEU A 87 0.001 -15.786 5.291 1.00 31.42 H new ATOM 0 HB3 LEU A 87 -0.430 -16.026 3.609 1.00 31.42 H new ATOM 0 HG LEU A 87 1.827 -14.275 4.570 1.00 2.40 H new ATOM 0 HD11 LEU A 87 3.367 -16.064 3.746 1.00 12.14 H new ATOM 0 HD12 LEU A 87 2.344 -16.625 5.090 1.00 12.14 H new ATOM 0 HD13 LEU A 87 1.958 -17.101 3.419 1.00 12.14 H new ATOM 0 HD21 LEU A 87 2.594 -14.418 2.187 1.00 53.04 H new ATOM 0 HD22 LEU A 87 1.137 -15.364 1.800 1.00 53.04 H new ATOM 0 HD23 LEU A 87 0.985 -13.671 2.327 1.00 53.04 H new ATOM 1238 N ASP A 88 -3.220 -14.792 4.572 1.00 21.41 N ATOM 1239 CA ASP A 88 -4.420 -15.317 5.228 1.00 54.31 C ATOM 1240 C ASP A 88 -4.927 -16.503 4.403 1.00 23.52 C ATOM 1241 O ASP A 88 -4.315 -16.889 3.401 1.00 60.11 O ATOM 1242 CB ASP A 88 -5.462 -14.186 5.424 1.00 3.01 C ATOM 1243 CG ASP A 88 -6.653 -14.527 6.337 1.00 53.22 C ATOM 1244 OD1 ASP A 88 -6.611 -15.531 7.088 1.00 15.20 O ATOM 1245 OD2 ASP A 88 -7.663 -13.788 6.328 1.00 43.03 O ATOM 0 H ASP A 88 -3.307 -14.748 3.557 1.00 21.41 H new ATOM 0 HA ASP A 88 -4.205 -15.683 6.232 1.00 54.31 H new ATOM 0 HB2 ASP A 88 -4.952 -13.314 5.833 1.00 3.01 H new ATOM 0 HB3 ASP A 88 -5.848 -13.899 4.446 1.00 3.01 H new ATOM 1249 N GLU A 89 -6.039 -17.096 4.836 1.00 62.45 N ATOM 1250 CA GLU A 89 -6.905 -18.003 4.089 1.00 20.33 C ATOM 1251 C GLU A 89 -6.240 -19.366 3.880 1.00 14.04 C ATOM 1252 O GLU A 89 -6.582 -20.344 4.547 1.00 60.53 O ATOM 1253 CB GLU A 89 -7.382 -17.356 2.764 1.00 11.30 C ATOM 1254 CG GLU A 89 -8.086 -15.998 2.945 1.00 1.12 C ATOM 1255 CD GLU A 89 -8.571 -15.369 1.630 1.00 12.11 C ATOM 1256 OE1 GLU A 89 -8.285 -15.921 0.542 1.00 74.54 O ATOM 1257 OE2 GLU A 89 -9.241 -14.310 1.694 1.00 33.32 O ATOM 0 H GLU A 89 -6.381 -16.943 5.785 1.00 62.45 H new ATOM 0 HA GLU A 89 -7.799 -18.187 4.685 1.00 20.33 H new ATOM 0 HB2 GLU A 89 -6.522 -17.223 2.107 1.00 11.30 H new ATOM 0 HB3 GLU A 89 -8.064 -18.042 2.262 1.00 11.30 H new ATOM 0 HG2 GLU A 89 -8.939 -16.128 3.611 1.00 1.12 H new ATOM 0 HG3 GLU A 89 -7.401 -15.307 3.436 1.00 1.12 H new ATOM 1262 N ASN A 90 -5.304 -19.429 2.936 1.00 1.13 N ATOM 1263 CA ASN A 90 -4.697 -20.629 2.373 1.00 22.43 C ATOM 1264 C ASN A 90 -3.257 -20.348 1.942 1.00 14.04 C ATOM 1265 O ASN A 90 -2.812 -20.818 0.895 1.00 74.32 O ATOM 1266 CB ASN A 90 -5.554 -21.189 1.225 1.00 40.12 C ATOM 1267 CG ASN A 90 -5.611 -20.381 -0.061 1.00 23.41 C ATOM 1268 OD1 ASN A 90 -5.342 -20.906 -1.134 1.00 13.33 O ATOM 1269 ND2 ASN A 90 -6.095 -19.153 -0.010 1.00 40.35 N ATOM 0 H ASN A 90 -4.924 -18.581 2.515 1.00 1.13 H new ATOM 0 HA ASN A 90 -4.659 -21.400 3.143 1.00 22.43 H new ATOM 0 HB2 ASN A 90 -5.183 -22.184 0.982 1.00 40.12 H new ATOM 0 HB3 ASN A 90 -6.573 -21.310 1.593 1.00 40.12 H new ATOM 0 HD21 ASN A 90 -6.249 -18.629 -0.872 1.00 40.35 H new ATOM 0 HD22 ASN A 90 -6.315 -18.728 0.891 1.00 40.35 H new ATOM 1275 N ALA A 91 -2.545 -19.561 2.761 1.00 30.31 N ATOM 1276 CA ALA A 91 -1.269 -18.941 2.433 1.00 41.42 C ATOM 1277 C ALA A 91 -1.386 -18.156 1.126 1.00 72.45 C ATOM 1278 O ALA A 91 -0.482 -18.183 0.290 1.00 30.24 O ATOM 1279 CB ALA A 91 -0.130 -19.968 2.437 1.00 13.21 C ATOM 0 H ALA A 91 -2.861 -19.335 3.704 1.00 30.31 H new ATOM 0 HA ALA A 91 -1.009 -18.221 3.209 1.00 41.42 H new ATOM 0 HB1 ALA A 91 0.808 -19.472 2.188 1.00 13.21 H new ATOM 0 HB2 ALA A 91 -0.051 -20.419 3.426 1.00 13.21 H new ATOM 0 HB3 ALA A 91 -0.337 -20.744 1.700 1.00 13.21 H new ATOM 1285 N ASP A 92 -2.504 -17.448 0.954 1.00 21.10 N ATOM 1286 CA ASP A 92 -2.585 -16.456 -0.103 1.00 74.52 C ATOM 1287 C ASP A 92 -2.131 -15.184 0.549 1.00 2.12 C ATOM 1288 O ASP A 92 -2.616 -14.840 1.631 1.00 1.42 O ATOM 1289 CB ASP A 92 -3.997 -16.220 -0.642 1.00 14.13 C ATOM 1290 CG ASP A 92 -4.386 -17.150 -1.782 1.00 54.04 C ATOM 1291 OD1 ASP A 92 -3.489 -17.664 -2.484 1.00 55.31 O ATOM 1292 OD2 ASP A 92 -5.597 -17.220 -2.092 1.00 51.02 O ATOM 0 H ASP A 92 -3.345 -17.544 1.523 1.00 21.10 H new ATOM 0 HA ASP A 92 -1.992 -16.791 -0.954 1.00 74.52 H new ATOM 0 HB2 ASP A 92 -4.711 -16.341 0.173 1.00 14.13 H new ATOM 0 HB3 ASP A 92 -4.077 -15.188 -0.985 1.00 14.13 H new ATOM 1296 N VAL A 93 -1.278 -14.436 -0.127 1.00 62.32 N ATOM 1297 CA VAL A 93 -1.095 -13.075 0.311 1.00 34.31 C ATOM 1298 C VAL A 93 -2.336 -12.246 -0.022 1.00 31.33 C ATOM 1299 O VAL A 93 -2.868 -12.287 -1.131 1.00 61.14 O ATOM 1300 CB VAL A 93 0.257 -12.562 -0.139 1.00 64.22 C ATOM 1301 CG1 VAL A 93 0.810 -12.804 -1.531 1.00 1.10 C ATOM 1302 CG2 VAL A 93 0.704 -11.251 0.526 1.00 5.20 C ATOM 0 H VAL A 93 -0.731 -14.730 -0.936 1.00 62.32 H new ATOM 0 HA VAL A 93 -1.034 -12.991 1.396 1.00 34.31 H new ATOM 0 HB VAL A 93 0.812 -13.392 0.299 1.00 64.22 H new ATOM 0 HG11 VAL A 93 1.793 -12.341 -1.618 1.00 1.10 H new ATOM 0 HG12 VAL A 93 0.897 -13.876 -1.707 1.00 1.10 H new ATOM 0 HG13 VAL A 93 0.138 -12.369 -2.270 1.00 1.10 H new ATOM 0 HG21 VAL A 93 1.682 -10.963 0.141 1.00 5.20 H new ATOM 0 HG22 VAL A 93 -0.019 -10.466 0.304 1.00 5.20 H new ATOM 0 HG23 VAL A 93 0.766 -11.393 1.605 1.00 5.20 H new ATOM 1312 N GLN A 94 -2.761 -11.495 0.986 1.00 51.11 N ATOM 1313 CA GLN A 94 -3.746 -10.418 0.971 1.00 33.14 C ATOM 1314 C GLN A 94 -2.999 -9.084 1.129 1.00 22.25 C ATOM 1315 O GLN A 94 -1.787 -8.992 0.945 1.00 5.43 O ATOM 1316 CB GLN A 94 -4.794 -10.626 2.094 1.00 23.24 C ATOM 1317 CG GLN A 94 -5.418 -12.020 2.171 1.00 54.33 C ATOM 1318 CD GLN A 94 -6.037 -12.492 0.861 1.00 22.14 C ATOM 1319 OE1 GLN A 94 -6.846 -11.807 0.238 1.00 74.35 O ATOM 1320 NE2 GLN A 94 -5.677 -13.683 0.428 1.00 13.30 N ATOM 0 H GLN A 94 -2.390 -11.638 1.925 1.00 51.11 H new ATOM 0 HA GLN A 94 -4.292 -10.413 0.028 1.00 33.14 H new ATOM 0 HB2 GLN A 94 -4.321 -10.407 3.051 1.00 23.24 H new ATOM 0 HB3 GLN A 94 -5.593 -9.897 1.959 1.00 23.24 H new ATOM 0 HG2 GLN A 94 -4.653 -12.733 2.478 1.00 54.33 H new ATOM 0 HG3 GLN A 94 -6.185 -12.022 2.946 1.00 54.33 H new ATOM 0 HE21 GLN A 94 -5.004 -14.237 0.959 1.00 13.30 H new ATOM 0 HE22 GLN A 94 -6.071 -14.051 -0.438 1.00 13.30 H new ATOM 1327 N VAL A 95 -3.724 -8.028 1.453 1.00 52.04 N ATOM 1328 CA VAL A 95 -3.160 -6.826 2.025 1.00 5.14 C ATOM 1329 C VAL A 95 -4.074 -6.457 3.190 1.00 13.31 C ATOM 1330 O VAL A 95 -5.296 -6.635 3.111 1.00 34.32 O ATOM 1331 CB VAL A 95 -3.065 -5.747 0.942 1.00 51.32 C ATOM 1332 CG1 VAL A 95 -2.570 -4.429 1.532 1.00 42.33 C ATOM 1333 CG2 VAL A 95 -2.117 -6.117 -0.216 1.00 50.13 C ATOM 0 H VAL A 95 -4.735 -7.984 1.323 1.00 52.04 H new ATOM 0 HA VAL A 95 -2.143 -6.952 2.397 1.00 5.14 H new ATOM 0 HB VAL A 95 -4.077 -5.654 0.547 1.00 51.32 H new ATOM 0 HG11 VAL A 95 -2.510 -3.678 0.745 1.00 42.33 H new ATOM 0 HG12 VAL A 95 -3.263 -4.092 2.303 1.00 42.33 H new ATOM 0 HG13 VAL A 95 -1.583 -4.575 1.970 1.00 42.33 H new ATOM 0 HG21 VAL A 95 -2.100 -5.307 -0.945 1.00 50.13 H new ATOM 0 HG22 VAL A 95 -1.112 -6.276 0.174 1.00 50.13 H new ATOM 0 HG23 VAL A 95 -2.469 -7.030 -0.697 1.00 50.13 H new ATOM 1343 N PHE A 96 -3.485 -5.862 4.225 1.00 50.22 N ATOM 1344 CA PHE A 96 -4.136 -5.390 5.427 1.00 12.13 C ATOM 1345 C PHE A 96 -3.708 -3.959 5.710 1.00 2.13 C ATOM 1346 O PHE A 96 -2.807 -3.404 5.075 1.00 54.54 O ATOM 1347 CB PHE A 96 -3.732 -6.297 6.593 1.00 70.54 C ATOM 1348 CG PHE A 96 -4.705 -6.259 7.750 1.00 74.54 C ATOM 1349 CD1 PHE A 96 -5.997 -6.782 7.565 1.00 70.52 C ATOM 1350 CD2 PHE A 96 -4.325 -5.741 9.004 1.00 44.02 C ATOM 1351 CE1 PHE A 96 -6.893 -6.835 8.644 1.00 52.10 C ATOM 1352 CE2 PHE A 96 -5.220 -5.826 10.087 1.00 3.25 C ATOM 1353 CZ PHE A 96 -6.494 -6.379 9.909 1.00 5.34 C ATOM 0 H PHE A 96 -2.480 -5.690 4.239 1.00 50.22 H new ATOM 0 HA PHE A 96 -5.218 -5.415 5.300 1.00 12.13 H new ATOM 0 HB2 PHE A 96 -3.647 -7.322 6.233 1.00 70.54 H new ATOM 0 HB3 PHE A 96 -2.745 -6.001 6.948 1.00 70.54 H new ATOM 0 HD1 PHE A 96 -6.300 -7.143 6.593 1.00 70.52 H new ATOM 0 HD2 PHE A 96 -3.356 -5.283 9.133 1.00 44.02 H new ATOM 0 HE1 PHE A 96 -7.889 -7.227 8.500 1.00 52.10 H new ATOM 0 HE2 PHE A 96 -4.923 -5.463 11.060 1.00 3.25 H new ATOM 0 HZ PHE A 96 -7.171 -6.455 10.747 1.00 5.34 H new ATOM 1362 N ILE A 97 -4.350 -3.356 6.702 1.00 53.10 N ATOM 1363 CA ILE A 97 -4.091 -2.004 7.149 1.00 25.32 C ATOM 1364 C ILE A 97 -4.555 -1.868 8.594 1.00 13.31 C ATOM 1365 O ILE A 97 -5.588 -2.441 8.959 1.00 5.41 O ATOM 1366 CB ILE A 97 -4.828 -0.978 6.254 1.00 23.44 C ATOM 1367 CG1 ILE A 97 -6.263 -1.426 5.881 1.00 5.14 C ATOM 1368 CG2 ILE A 97 -4.018 -0.692 4.986 1.00 45.53 C ATOM 1369 CD1 ILE A 97 -7.020 -0.394 5.045 1.00 63.14 C ATOM 0 H ILE A 97 -5.090 -3.815 7.233 1.00 53.10 H new ATOM 0 HA ILE A 97 -3.022 -1.801 7.081 1.00 25.32 H new ATOM 0 HB ILE A 97 -4.922 -0.064 6.840 1.00 23.44 H new ATOM 0 HG12 ILE A 97 -6.211 -2.364 5.328 1.00 5.14 H new ATOM 0 HG13 ILE A 97 -6.823 -1.625 6.795 1.00 5.14 H new ATOM 0 HG21 ILE A 97 -4.551 0.031 4.369 1.00 45.53 H new ATOM 0 HG22 ILE A 97 -3.044 -0.287 5.260 1.00 45.53 H new ATOM 0 HG23 ILE A 97 -3.881 -1.617 4.425 1.00 45.53 H new ATOM 0 HD11 ILE A 97 -8.018 -0.770 4.818 1.00 63.14 H new ATOM 0 HD12 ILE A 97 -7.102 0.538 5.604 1.00 63.14 H new ATOM 0 HD13 ILE A 97 -6.481 -0.213 4.115 1.00 63.14 H new ATOM 1380 N PRO A 98 -3.848 -1.067 9.401 1.00 73.24 N ATOM 1381 CA PRO A 98 -4.367 -0.642 10.678 1.00 10.24 C ATOM 1382 C PRO A 98 -5.521 0.325 10.420 1.00 3.42 C ATOM 1383 O PRO A 98 -5.334 1.386 9.818 1.00 52.44 O ATOM 1384 CB PRO A 98 -3.165 -0.072 11.427 1.00 61.12 C ATOM 1385 CG PRO A 98 -2.242 0.442 10.324 1.00 62.40 C ATOM 1386 CD PRO A 98 -2.540 -0.482 9.143 1.00 5.44 C ATOM 0 HA PRO A 98 -4.799 -1.427 11.299 1.00 10.24 H new ATOM 0 HB2 PRO A 98 -3.461 0.730 12.103 1.00 61.12 H new ATOM 0 HB3 PRO A 98 -2.675 -0.835 12.032 1.00 61.12 H new ATOM 0 HG2 PRO A 98 -2.451 1.484 10.080 1.00 62.40 H new ATOM 0 HG3 PRO A 98 -1.195 0.388 10.621 1.00 62.40 H new ATOM 0 HD2 PRO A 98 -2.541 0.074 8.205 1.00 5.44 H new ATOM 0 HD3 PRO A 98 -1.778 -1.257 9.054 1.00 5.44 H new ATOM 1391 N GLN A 99 -6.725 -0.077 10.816 1.00 21.03 N ATOM 1392 CA GLN A 99 -7.929 0.731 10.784 1.00 53.40 C ATOM 1393 C GLN A 99 -8.645 0.558 12.121 1.00 14.14 C ATOM 1394 O GLN A 99 -8.462 -0.460 12.792 1.00 71.12 O ATOM 1395 CB GLN A 99 -8.843 0.333 9.613 1.00 61.40 C ATOM 1396 CG GLN A 99 -8.407 0.831 8.228 1.00 2.53 C ATOM 1397 CD GLN A 99 -8.505 2.337 8.068 1.00 45.42 C ATOM 1398 OE1 GLN A 99 -9.582 2.921 8.159 1.00 11.35 O ATOM 1399 NE2 GLN A 99 -7.400 3.000 7.776 1.00 64.20 N ATOM 0 H GLN A 99 -6.890 -1.015 11.182 1.00 21.03 H new ATOM 0 HA GLN A 99 -7.666 1.778 10.630 1.00 53.40 H new ATOM 0 HB2 GLN A 99 -8.911 -0.754 9.583 1.00 61.40 H new ATOM 0 HB3 GLN A 99 -9.846 0.709 9.815 1.00 61.40 H new ATOM 0 HG2 GLN A 99 -7.378 0.520 8.046 1.00 2.53 H new ATOM 0 HG3 GLN A 99 -9.024 0.352 7.468 1.00 2.53 H new ATOM 0 HE21 GLN A 99 -6.512 2.504 7.703 1.00 64.20 H new ATOM 0 HE22 GLN A 99 -7.435 4.008 7.623 1.00 64.20 H new