USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 540 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 26 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 30 TYR OH : rot 155:sc= 0.262 USER MOD Set 1.3: A 62 HIS : no HD1:sc= -0.288 K(o=-0.026,f=-1.2) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.756 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0748 K(o=-0.075,f=-0.73) USER MOD Single : A 20 MET CE :methyl -101:sc= 0 (180deg=-0.351) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.641 K(o=0.64,f=-0.052) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 49 HIS :FLIP no HD1:sc=-0.00293 F(o=-0.51,f=-0.0029) USER MOD Single : A 50 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.14) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.765 K(o=-0.76,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.044 -0.482 -10.404 1.00 0.00 N ATOM 60 CA GLY A 7 -6.495 -1.151 -11.569 1.00 0.00 C ATOM 61 C GLY A 7 -7.112 -0.660 -12.864 1.00 0.00 C ATOM 62 O GLY A 7 -6.412 -0.464 -13.858 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.417 -0.993 -11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.657 -2.225 -11.477 1.00 0.00 H new ATOM 66 N VAL A 8 -8.426 -0.463 -12.855 1.00 0.00 N ATOM 67 CA VAL A 8 -9.137 0.007 -14.038 1.00 0.00 C ATOM 68 C VAL A 8 -8.551 1.319 -14.546 1.00 0.00 C ATOM 69 O VAL A 8 -8.666 1.647 -15.727 1.00 0.00 O ATOM 70 CB VAL A 8 -10.637 0.206 -13.749 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.386 0.552 -15.027 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.223 -1.038 -13.098 1.00 0.00 C ATOM 0 H VAL A 8 -9.020 -0.622 -12.041 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.020 -0.760 -14.803 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.748 1.039 -13.055 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.444 0.689 -14.803 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.982 1.473 -15.448 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.269 -0.258 -15.748 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.283 -0.880 -12.901 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.101 -1.890 -13.767 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.705 -1.236 -12.160 1.00 0.00 H new ATOM 82 N SER A 9 -7.920 2.067 -13.646 1.00 0.00 N ATOM 83 CA SER A 9 -7.318 3.347 -14.002 1.00 0.00 C ATOM 84 C SER A 9 -6.054 3.140 -14.832 1.00 0.00 C ATOM 85 O SER A 9 -5.673 3.997 -15.629 1.00 0.00 O ATOM 86 CB SER A 9 -6.987 4.147 -12.741 1.00 0.00 C ATOM 87 OG SER A 9 -5.889 3.578 -12.048 1.00 0.00 O ATOM 0 H SER A 9 -7.812 1.809 -12.665 1.00 0.00 H new ATOM 0 HA SER A 9 -8.038 3.906 -14.600 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.756 5.177 -13.011 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.858 4.177 -12.086 1.00 0.00 H new ATOM 0 HG SER A 9 -5.697 4.109 -11.247 1.00 0.00 H new ATOM 93 N LYS A 10 -5.409 1.995 -14.640 1.00 0.00 N ATOM 94 CA LYS A 10 -4.189 1.672 -15.370 1.00 0.00 C ATOM 95 C LYS A 10 -4.461 0.630 -16.450 1.00 0.00 C ATOM 96 O LYS A 10 -3.556 -0.087 -16.877 1.00 0.00 O ATOM 97 CB LYS A 10 -3.115 1.156 -14.409 1.00 0.00 C ATOM 98 CG LYS A 10 -2.850 2.087 -13.238 1.00 0.00 C ATOM 99 CD LYS A 10 -1.361 2.318 -13.036 1.00 0.00 C ATOM 100 CE LYS A 10 -0.766 3.137 -14.171 1.00 0.00 C ATOM 101 NZ LYS A 10 0.701 3.335 -14.002 1.00 0.00 N ATOM 0 H LYS A 10 -5.711 1.274 -13.984 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.831 2.583 -15.850 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.419 0.182 -14.026 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.187 1.006 -14.961 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.347 3.041 -13.411 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.280 1.663 -12.330 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.197 2.833 -12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.848 1.358 -12.970 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.958 2.636 -15.120 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.261 4.107 -14.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.069 3.898 -14.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.883 3.836 -13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.176 2.410 -13.984 1.00 0.00 H new ATOM 115 N TRP A 11 -5.712 0.552 -16.889 1.00 0.00 N ATOM 116 CA TRP A 11 -6.103 -0.401 -17.921 1.00 0.00 C ATOM 117 C TRP A 11 -5.570 0.024 -19.285 1.00 0.00 C ATOM 118 O TRP A 11 -5.756 1.166 -19.705 1.00 0.00 O ATOM 119 CB TRP A 11 -7.626 -0.533 -17.973 1.00 0.00 C ATOM 120 CG TRP A 11 -8.143 -1.739 -17.248 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.556 -2.374 -16.191 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.349 -2.456 -17.530 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.326 -3.442 -15.798 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.432 -3.514 -16.603 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.369 -2.307 -18.474 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.493 -4.415 -16.596 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.421 -3.203 -18.465 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.477 -4.245 -17.531 1.00 0.00 C ATOM 0 H TRP A 11 -6.473 1.138 -16.546 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.670 -1.369 -17.668 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.076 0.362 -17.542 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.944 -0.580 -19.014 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.624 -2.080 -15.732 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.109 -4.078 -15.031 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.336 -1.506 -19.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.538 -5.220 -15.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.214 -3.098 -19.191 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.314 -4.928 -17.549 1.00 0.00 H new ATOM 139 N SER A 12 -4.908 -0.901 -19.972 1.00 0.00 N ATOM 140 CA SER A 12 -4.346 -0.620 -21.287 1.00 0.00 C ATOM 141 C SER A 12 -5.435 -0.183 -22.262 1.00 0.00 C ATOM 142 O SER A 12 -6.625 -0.424 -22.052 1.00 0.00 O ATOM 143 CB SER A 12 -3.624 -1.854 -21.832 1.00 0.00 C ATOM 144 OG SER A 12 -4.405 -2.509 -22.816 1.00 0.00 O ATOM 0 H SER A 12 -4.748 -1.852 -19.639 1.00 0.00 H new ATOM 0 HA SER A 12 -3.629 0.194 -21.181 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.666 -1.559 -22.261 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.409 -2.544 -21.016 1.00 0.00 H new ATOM 0 HG SER A 12 -3.921 -3.293 -23.149 1.00 0.00 H new ATOM 150 N PRO A 13 -5.021 0.475 -23.355 1.00 0.00 N ATOM 151 CA PRO A 13 -5.945 0.960 -24.385 1.00 0.00 C ATOM 152 C PRO A 13 -6.568 -0.178 -25.186 1.00 0.00 C ATOM 153 O PRO A 13 -7.617 -0.011 -25.809 1.00 0.00 O ATOM 154 CB PRO A 13 -5.055 1.822 -25.283 1.00 0.00 C ATOM 155 CG PRO A 13 -3.683 1.273 -25.094 1.00 0.00 C ATOM 156 CD PRO A 13 -3.619 0.797 -23.669 1.00 0.00 C ATOM 0 HA PRO A 13 -6.789 1.500 -23.955 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.366 1.760 -26.326 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.104 2.873 -24.998 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.492 0.454 -25.788 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.928 2.036 -25.285 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.973 -0.075 -23.565 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.225 1.567 -23.005 1.00 0.00 H new ATOM 164 N SER A 14 -5.916 -1.336 -25.166 1.00 0.00 N ATOM 165 CA SER A 14 -6.404 -2.502 -25.894 1.00 0.00 C ATOM 166 C SER A 14 -7.254 -3.390 -24.991 1.00 0.00 C ATOM 167 O SER A 14 -8.123 -4.122 -25.463 1.00 0.00 O ATOM 168 CB SER A 14 -5.231 -3.304 -26.460 1.00 0.00 C ATOM 169 OG SER A 14 -4.003 -2.629 -26.252 1.00 0.00 O ATOM 0 H SER A 14 -5.048 -1.492 -24.653 1.00 0.00 H new ATOM 0 HA SER A 14 -7.026 -2.151 -26.718 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.195 -4.285 -25.986 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.382 -3.471 -27.527 1.00 0.00 H new ATOM 0 HG SER A 14 -3.269 -3.163 -26.621 1.00 0.00 H new ATOM 175 N GLN A 15 -6.996 -3.318 -23.689 1.00 0.00 N ATOM 176 CA GLN A 15 -7.736 -4.116 -22.719 1.00 0.00 C ATOM 177 C GLN A 15 -9.200 -3.691 -22.668 1.00 0.00 C ATOM 178 O GLN A 15 -10.101 -4.529 -22.683 1.00 0.00 O ATOM 179 CB GLN A 15 -7.106 -3.984 -21.331 1.00 0.00 C ATOM 180 CG GLN A 15 -5.864 -4.841 -21.143 1.00 0.00 C ATOM 181 CD GLN A 15 -6.182 -6.214 -20.583 1.00 0.00 C ATOM 182 OE1 GLN A 15 -7.011 -6.353 -19.683 1.00 0.00 O ATOM 183 NE2 GLN A 15 -5.524 -7.237 -21.115 1.00 0.00 N ATOM 0 H GLN A 15 -6.281 -2.716 -23.282 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.690 -5.159 -23.034 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.847 -2.940 -21.157 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.845 -4.259 -20.578 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.355 -4.952 -22.101 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.173 -4.330 -20.472 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.846 -7.075 -21.859 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.697 -8.185 -20.779 1.00 0.00 H new ATOM 192 N VAL A 16 -9.429 -2.383 -22.607 1.00 0.00 N ATOM 193 CA VAL A 16 -10.784 -1.846 -22.555 1.00 0.00 C ATOM 194 C VAL A 16 -11.644 -2.415 -23.677 1.00 0.00 C ATOM 195 O VAL A 16 -12.853 -2.589 -23.521 1.00 0.00 O ATOM 196 CB VAL A 16 -10.783 -0.309 -22.653 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.205 0.229 -22.620 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.949 0.295 -21.533 1.00 0.00 C ATOM 0 H VAL A 16 -8.694 -1.676 -22.592 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.204 -2.141 -21.594 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.334 -0.023 -23.604 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.184 1.317 -22.690 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.768 -0.178 -23.460 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.684 -0.065 -21.686 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.959 1.382 -21.617 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.367 0.002 -20.570 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.923 -0.065 -21.608 1.00 0.00 H new ATOM 208 N VAL A 17 -11.013 -2.705 -24.811 1.00 0.00 N ATOM 209 CA VAL A 17 -11.721 -3.256 -25.960 1.00 0.00 C ATOM 210 C VAL A 17 -12.327 -4.616 -25.632 1.00 0.00 C ATOM 211 O VAL A 17 -13.444 -4.926 -26.049 1.00 0.00 O ATOM 212 CB VAL A 17 -10.787 -3.403 -27.176 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.578 -3.803 -28.412 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.021 -2.112 -27.419 1.00 0.00 C ATOM 0 H VAL A 17 -10.013 -2.567 -24.958 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.519 -2.556 -26.206 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.066 -4.192 -26.964 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.901 -3.902 -29.261 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.077 -4.755 -28.232 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.324 -3.039 -28.630 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.366 -2.234 -28.282 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.725 -1.302 -27.610 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.422 -1.873 -26.540 1.00 0.00 H new ATOM 224 N ASP A 18 -11.585 -5.423 -24.882 1.00 0.00 N ATOM 225 CA ASP A 18 -12.050 -6.750 -24.496 1.00 0.00 C ATOM 226 C ASP A 18 -13.240 -6.654 -23.546 1.00 0.00 C ATOM 227 O ASP A 18 -14.072 -7.559 -23.484 1.00 0.00 O ATOM 228 CB ASP A 18 -10.918 -7.539 -23.836 1.00 0.00 C ATOM 229 CG ASP A 18 -11.164 -9.034 -23.859 1.00 0.00 C ATOM 230 OD1 ASP A 18 -12.339 -9.440 -23.983 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.183 -9.799 -23.753 1.00 0.00 O ATOM 0 H ASP A 18 -10.659 -5.181 -24.529 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.369 -7.272 -25.398 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.981 -7.320 -24.347 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.803 -7.209 -22.804 1.00 0.00 H new ATOM 236 N TRP A 19 -13.314 -5.552 -22.809 1.00 0.00 N ATOM 237 CA TRP A 19 -14.402 -5.338 -21.861 1.00 0.00 C ATOM 238 C TRP A 19 -15.720 -5.098 -22.591 1.00 0.00 C ATOM 239 O TRP A 19 -16.756 -5.646 -22.214 1.00 0.00 O ATOM 240 CB TRP A 19 -14.086 -4.150 -20.950 1.00 0.00 C ATOM 241 CG TRP A 19 -15.230 -3.761 -20.064 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.781 -4.506 -19.061 1.00 0.00 C ATOM 243 CD2 TRP A 19 -15.965 -2.533 -20.103 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.813 -3.816 -18.474 1.00 0.00 N ATOM 245 CE2 TRP A 19 -16.946 -2.602 -19.094 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.889 -1.381 -20.890 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.842 -1.563 -18.855 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.779 -0.351 -20.652 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.744 -0.447 -19.641 1.00 0.00 C ATOM 0 H TRP A 19 -12.634 -4.793 -22.849 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.503 -6.237 -21.253 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.223 -4.395 -20.331 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.804 -3.295 -21.564 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.453 -5.494 -18.772 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.387 -4.153 -17.701 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.148 -1.297 -21.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.588 -1.635 -18.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.730 0.543 -21.256 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.424 0.376 -19.479 1.00 0.00 H new ATOM 260 N MET A 20 -15.672 -4.278 -23.635 1.00 0.00 N ATOM 261 CA MET A 20 -16.864 -3.968 -24.417 1.00 0.00 C ATOM 262 C MET A 20 -17.435 -5.228 -25.060 1.00 0.00 C ATOM 263 O MET A 20 -18.620 -5.288 -25.388 1.00 0.00 O ATOM 264 CB MET A 20 -16.536 -2.934 -25.497 1.00 0.00 C ATOM 265 CG MET A 20 -15.940 -1.649 -24.946 1.00 0.00 C ATOM 266 SD MET A 20 -17.191 -0.401 -24.588 1.00 0.00 S ATOM 267 CE MET A 20 -17.534 0.217 -26.235 1.00 0.00 C ATOM 0 H MET A 20 -14.822 -3.816 -23.959 1.00 0.00 H new ATOM 0 HA MET A 20 -17.614 -3.554 -23.743 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.837 -3.373 -26.209 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.445 -2.696 -26.049 1.00 0.00 H new ATOM 0 HG2 MET A 20 -15.384 -1.872 -24.035 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.226 -1.247 -25.665 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.011 1.162 -26.385 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.193 -0.508 -26.974 1.00 0.00 H new ATOM 0 HE3 MET A 20 -18.607 0.374 -26.349 1.00 0.00 H new ATOM 277 N LYS A 21 -16.584 -6.233 -25.239 1.00 0.00 N ATOM 278 CA LYS A 21 -17.004 -7.493 -25.842 1.00 0.00 C ATOM 279 C LYS A 21 -17.982 -8.231 -24.934 1.00 0.00 C ATOM 280 O LYS A 21 -18.641 -9.180 -25.357 1.00 0.00 O ATOM 281 CB LYS A 21 -15.787 -8.377 -26.124 1.00 0.00 C ATOM 282 CG LYS A 21 -14.824 -7.782 -27.137 1.00 0.00 C ATOM 283 CD LYS A 21 -13.888 -8.836 -27.703 1.00 0.00 C ATOM 284 CE LYS A 21 -13.221 -8.359 -28.984 1.00 0.00 C ATOM 285 NZ LYS A 21 -12.541 -9.472 -29.703 1.00 0.00 N ATOM 0 H LYS A 21 -15.599 -6.200 -24.975 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.508 -7.268 -26.782 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.254 -8.556 -25.190 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.129 -9.347 -26.486 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.387 -7.321 -27.948 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.240 -6.992 -26.665 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.125 -9.081 -26.964 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.446 -9.751 -27.901 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.969 -7.908 -29.637 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.494 -7.582 -28.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.099 -9.106 -30.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.810 -9.886 -29.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.239 -10.202 -29.952 1.00 0.00 H new ATOM 299 N GLY A 22 -18.073 -7.788 -23.684 1.00 0.00 N ATOM 300 CA GLY A 22 -18.975 -8.418 -22.738 1.00 0.00 C ATOM 301 C GLY A 22 -20.069 -7.480 -22.267 1.00 0.00 C ATOM 302 O GLY A 22 -20.653 -7.681 -21.201 1.00 0.00 O ATOM 0 H GLY A 22 -17.538 -7.004 -23.310 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.427 -9.295 -23.201 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.406 -8.769 -21.877 1.00 0.00 H new ATOM 306 N LEU A 23 -20.346 -6.451 -23.061 1.00 0.00 N ATOM 307 CA LEU A 23 -21.376 -5.477 -22.718 1.00 0.00 C ATOM 308 C LEU A 23 -22.547 -5.557 -23.693 1.00 0.00 C ATOM 309 O LEU A 23 -22.631 -6.481 -24.502 1.00 0.00 O ATOM 310 CB LEU A 23 -20.791 -4.063 -22.723 1.00 0.00 C ATOM 311 CG LEU A 23 -19.509 -3.866 -21.913 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.079 -2.407 -21.942 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.705 -4.337 -20.480 1.00 0.00 C ATOM 0 H LEU A 23 -19.872 -6.270 -23.946 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.742 -5.709 -21.718 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.592 -3.777 -23.756 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.547 -3.377 -22.342 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.720 -4.466 -22.366 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.165 -2.285 -21.360 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.897 -2.102 -22.972 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.867 -1.787 -21.514 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.782 -4.189 -19.919 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.508 -3.765 -20.015 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -19.965 -5.395 -20.477 1.00 0.00 H new ATOM 325 N ASP A 24 -23.447 -4.583 -23.610 1.00 0.00 N ATOM 326 CA ASP A 24 -24.612 -4.542 -24.487 1.00 0.00 C ATOM 327 C ASP A 24 -24.196 -4.670 -25.949 1.00 0.00 C ATOM 328 O ASP A 24 -23.103 -4.252 -26.333 1.00 0.00 O ATOM 329 CB ASP A 24 -25.389 -3.242 -24.276 1.00 0.00 C ATOM 330 CG ASP A 24 -26.889 -3.446 -24.349 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.417 -3.581 -25.473 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.536 -3.471 -23.281 1.00 0.00 O ATOM 0 H ASP A 24 -23.392 -3.812 -22.945 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.255 -5.385 -24.236 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.129 -2.821 -23.305 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.087 -2.515 -25.030 1.00 0.00 H new ATOM 337 N ASP A 25 -25.074 -5.250 -26.760 1.00 0.00 N ATOM 338 CA ASP A 25 -24.798 -5.433 -28.180 1.00 0.00 C ATOM 339 C ASP A 25 -24.709 -4.088 -28.894 1.00 0.00 C ATOM 340 O ASP A 25 -24.046 -3.964 -29.924 1.00 0.00 O ATOM 341 CB ASP A 25 -25.884 -6.296 -28.825 1.00 0.00 C ATOM 342 CG ASP A 25 -25.314 -7.323 -29.784 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.352 -6.990 -30.507 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.830 -8.459 -29.810 1.00 0.00 O ATOM 0 H ASP A 25 -25.983 -5.601 -26.458 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.837 -5.939 -28.276 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.450 -6.806 -28.045 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.585 -5.654 -29.359 1.00 0.00 H new ATOM 349 N CYS A 26 -25.381 -3.085 -28.340 1.00 0.00 N ATOM 350 CA CYS A 26 -25.379 -1.748 -28.925 1.00 0.00 C ATOM 351 C CYS A 26 -24.012 -1.089 -28.771 1.00 0.00 C ATOM 352 O CYS A 26 -23.666 -0.171 -29.515 1.00 0.00 O ATOM 353 CB CYS A 26 -26.453 -0.880 -28.269 1.00 0.00 C ATOM 354 SG CYS A 26 -28.145 -1.427 -28.597 1.00 0.00 S ATOM 0 H CYS A 26 -25.934 -3.172 -27.487 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.599 -1.844 -29.988 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.288 -0.869 -27.192 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.340 0.146 -28.619 1.00 0.00 H new ATOM 0 HG CYS A 26 -28.982 -0.632 -27.999 1.00 0.00 H new ATOM 360 N LEU A 27 -23.239 -1.563 -27.800 1.00 0.00 N ATOM 361 CA LEU A 27 -21.909 -1.019 -27.547 1.00 0.00 C ATOM 362 C LEU A 27 -20.840 -1.835 -28.267 1.00 0.00 C ATOM 363 O LEU A 27 -19.669 -1.812 -27.889 1.00 0.00 O ATOM 364 CB LEU A 27 -21.623 -0.997 -26.044 1.00 0.00 C ATOM 365 CG LEU A 27 -22.783 -0.563 -25.147 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.402 -0.698 -23.680 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.196 0.867 -25.463 1.00 0.00 C ATOM 0 H LEU A 27 -23.510 -2.322 -27.175 1.00 0.00 H new ATOM 0 HA LEU A 27 -21.882 0.001 -27.931 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.308 -1.995 -25.740 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.781 -0.329 -25.864 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.633 -1.217 -25.343 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.239 -0.385 -23.056 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.156 -1.737 -23.462 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.537 -0.069 -23.469 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.023 1.159 -24.815 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.351 1.535 -25.296 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.511 0.933 -26.504 1.00 0.00 H new ATOM 379 N GLN A 28 -21.252 -2.553 -29.307 1.00 0.00 N ATOM 380 CA GLN A 28 -20.329 -3.375 -30.081 1.00 0.00 C ATOM 381 C GLN A 28 -19.753 -2.588 -31.254 1.00 0.00 C ATOM 382 O GLN A 28 -18.540 -2.565 -31.460 1.00 0.00 O ATOM 383 CB GLN A 28 -21.037 -4.631 -30.592 1.00 0.00 C ATOM 384 CG GLN A 28 -21.590 -5.512 -29.484 1.00 0.00 C ATOM 385 CD GLN A 28 -20.500 -6.117 -28.621 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.671 -6.891 -29.101 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.496 -5.767 -27.340 1.00 0.00 N ATOM 0 H GLN A 28 -22.218 -2.582 -29.633 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.508 -3.670 -29.427 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.853 -4.335 -31.251 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.338 -5.213 -31.193 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.260 -4.923 -28.857 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.186 -6.312 -29.924 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.202 -5.122 -26.985 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.786 -6.143 -26.711 1.00 0.00 H new ATOM 396 N GLN A 29 -20.631 -1.947 -32.018 1.00 0.00 N ATOM 397 CA GLN A 29 -20.208 -1.160 -33.171 1.00 0.00 C ATOM 398 C GLN A 29 -19.190 -0.101 -32.763 1.00 0.00 C ATOM 399 O GLN A 29 -18.373 0.334 -33.575 1.00 0.00 O ATOM 400 CB GLN A 29 -21.416 -0.496 -33.833 1.00 0.00 C ATOM 401 CG GLN A 29 -22.016 0.633 -33.010 1.00 0.00 C ATOM 402 CD GLN A 29 -23.484 0.859 -33.313 1.00 0.00 C ATOM 403 OE1 GLN A 29 -23.854 1.849 -33.945 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.330 -0.059 -32.862 1.00 0.00 N ATOM 0 H GLN A 29 -21.639 -1.957 -31.860 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.736 -1.834 -33.886 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.118 -0.106 -34.806 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.182 -1.250 -34.013 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.898 0.407 -31.950 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.463 1.552 -33.204 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -23.980 -0.864 -32.343 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.330 0.040 -33.035 1.00 0.00 H new ATOM 413 N TYR A 30 -19.245 0.311 -31.501 1.00 0.00 N ATOM 414 CA TYR A 30 -18.330 1.322 -30.986 1.00 0.00 C ATOM 415 C TYR A 30 -16.948 0.727 -30.732 1.00 0.00 C ATOM 416 O TYR A 30 -15.941 1.435 -30.762 1.00 0.00 O ATOM 417 CB TYR A 30 -18.881 1.929 -29.695 1.00 0.00 C ATOM 418 CG TYR A 30 -20.225 2.601 -29.868 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.484 3.408 -30.969 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.235 2.428 -28.930 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.710 4.024 -31.130 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.465 3.039 -29.083 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.697 3.837 -30.185 1.00 0.00 C ATOM 424 OH TYR A 30 -23.920 4.448 -30.342 1.00 0.00 O ATOM 0 H TYR A 30 -19.914 -0.040 -30.816 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.236 2.106 -31.737 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.970 1.144 -28.944 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.166 2.657 -29.312 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.714 3.556 -31.711 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -21.056 1.805 -28.066 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -21.895 4.649 -31.991 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.240 2.893 -28.345 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.606 3.935 -29.865 1.00 0.00 H new ATOM 434 N ILE A 31 -16.910 -0.577 -30.483 1.00 0.00 N ATOM 435 CA ILE A 31 -15.653 -1.268 -30.225 1.00 0.00 C ATOM 436 C ILE A 31 -14.631 -0.977 -31.319 1.00 0.00 C ATOM 437 O ILE A 31 -13.469 -0.685 -31.037 1.00 0.00 O ATOM 438 CB ILE A 31 -15.858 -2.791 -30.123 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.885 -3.117 -29.036 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.536 -3.486 -29.835 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.155 -4.598 -28.885 1.00 0.00 C ATOM 0 H ILE A 31 -17.735 -1.176 -30.454 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.278 -0.895 -29.272 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.237 -3.156 -31.077 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.532 -2.721 -28.084 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.820 -2.607 -29.266 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.698 -4.562 -29.766 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.832 -3.276 -30.640 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.130 -3.119 -28.892 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.892 -4.755 -28.097 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.538 -4.996 -29.825 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.230 -5.112 -28.624 1.00 0.00 H new ATOM 453 N LYS A 32 -15.072 -1.057 -32.570 1.00 0.00 N ATOM 454 CA LYS A 32 -14.198 -0.799 -33.708 1.00 0.00 C ATOM 455 C LYS A 32 -13.596 0.600 -33.625 1.00 0.00 C ATOM 456 O LYS A 32 -12.505 0.847 -34.136 1.00 0.00 O ATOM 457 CB LYS A 32 -14.973 -0.956 -35.018 1.00 0.00 C ATOM 458 CG LYS A 32 -15.591 -2.332 -35.199 1.00 0.00 C ATOM 459 CD LYS A 32 -15.329 -2.882 -36.590 1.00 0.00 C ATOM 460 CE LYS A 32 -15.192 -4.397 -36.574 1.00 0.00 C ATOM 461 NZ LYS A 32 -16.372 -5.067 -37.187 1.00 0.00 N ATOM 0 H LYS A 32 -16.031 -1.299 -32.821 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.387 -1.526 -33.684 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.762 -0.205 -35.056 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.302 -0.756 -35.853 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.184 -3.016 -34.454 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.666 -2.275 -35.026 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.144 -2.596 -37.255 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.419 -2.438 -36.993 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.290 -4.686 -37.113 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.073 -4.740 -35.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.240 -6.098 -37.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.230 -4.812 -36.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.471 -4.759 -38.176 1.00 0.00 H new ATOM 475 N ASN A 33 -14.314 1.511 -32.978 1.00 0.00 N ATOM 476 CA ASN A 33 -13.850 2.885 -32.828 1.00 0.00 C ATOM 477 C ASN A 33 -12.930 3.020 -31.618 1.00 0.00 C ATOM 478 O ASN A 33 -12.049 3.879 -31.586 1.00 0.00 O ATOM 479 CB ASN A 33 -15.040 3.836 -32.685 1.00 0.00 C ATOM 480 CG ASN A 33 -15.747 4.079 -34.005 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.135 4.012 -35.071 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.043 4.362 -33.938 1.00 0.00 N ATOM 0 H ASN A 33 -15.220 1.323 -32.549 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.287 3.150 -33.723 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.748 3.422 -31.967 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.695 4.787 -32.280 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.572 4.534 -34.793 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.509 4.407 -33.032 1.00 0.00 H new ATOM 489 N PHE A 34 -13.141 2.164 -30.623 1.00 0.00 N ATOM 490 CA PHE A 34 -12.331 2.186 -29.410 1.00 0.00 C ATOM 491 C PHE A 34 -10.943 1.610 -29.672 1.00 0.00 C ATOM 492 O PHE A 34 -9.976 1.964 -28.999 1.00 0.00 O ATOM 493 CB PHE A 34 -13.022 1.398 -28.296 1.00 0.00 C ATOM 494 CG PHE A 34 -13.956 2.229 -27.464 1.00 0.00 C ATOM 495 CD1 PHE A 34 -15.006 2.914 -28.053 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.785 2.324 -26.092 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.867 3.680 -27.290 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.643 3.088 -25.324 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.686 3.766 -25.923 1.00 0.00 C ATOM 0 H PHE A 34 -13.866 1.447 -30.633 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.220 3.224 -29.096 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.579 0.572 -28.738 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.263 0.960 -27.648 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.154 2.849 -29.121 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.972 1.795 -25.618 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.681 4.211 -27.762 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.498 3.155 -24.256 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.359 4.362 -25.324 1.00 0.00 H new ATOM 509 N GLU A 35 -10.855 0.719 -30.655 1.00 0.00 N ATOM 510 CA GLU A 35 -9.586 0.091 -31.004 1.00 0.00 C ATOM 511 C GLU A 35 -8.644 1.097 -31.660 1.00 0.00 C ATOM 512 O GLU A 35 -7.450 1.131 -31.363 1.00 0.00 O ATOM 513 CB GLU A 35 -9.818 -1.094 -31.944 1.00 0.00 C ATOM 514 CG GLU A 35 -9.315 -2.416 -31.392 1.00 0.00 C ATOM 515 CD GLU A 35 -7.804 -2.461 -31.272 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.120 -1.964 -32.191 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.305 -2.994 -30.258 1.00 0.00 O ATOM 0 H GLU A 35 -11.646 0.416 -31.223 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.124 -0.269 -30.085 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.885 -1.179 -32.151 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.323 -0.895 -32.895 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.759 -2.588 -30.412 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.649 -3.227 -32.040 1.00 0.00 H new ATOM 524 N ARG A 36 -9.191 1.915 -32.554 1.00 0.00 N ATOM 525 CA ARG A 36 -8.400 2.920 -33.254 1.00 0.00 C ATOM 526 C ARG A 36 -8.151 4.133 -32.362 1.00 0.00 C ATOM 527 O ARG A 36 -7.155 4.838 -32.522 1.00 0.00 O ATOM 528 CB ARG A 36 -9.110 3.356 -34.537 1.00 0.00 C ATOM 529 CG ARG A 36 -8.164 3.847 -35.620 1.00 0.00 C ATOM 530 CD ARG A 36 -8.910 4.593 -36.716 1.00 0.00 C ATOM 531 NE ARG A 36 -8.002 5.325 -37.595 1.00 0.00 N ATOM 532 CZ ARG A 36 -8.384 5.904 -38.728 1.00 0.00 C ATOM 533 NH1 ARG A 36 -9.650 5.837 -39.116 1.00 0.00 N ATOM 534 NH2 ARG A 36 -7.499 6.552 -39.474 1.00 0.00 N ATOM 0 H ARG A 36 -10.178 1.901 -32.810 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.439 2.475 -33.511 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.689 2.518 -34.925 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.819 4.149 -34.298 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.413 4.502 -35.179 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.633 2.999 -36.052 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.492 3.885 -37.305 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.617 5.289 -36.264 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.021 5.396 -37.324 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.333 5.340 -38.544 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.941 6.282 -39.986 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.524 6.606 -39.178 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.793 6.996 -40.344 1.00 0.00 H new ATOM 548 N GLU A 37 -9.063 4.369 -31.424 1.00 0.00 N ATOM 549 CA GLU A 37 -8.941 5.497 -30.508 1.00 0.00 C ATOM 550 C GLU A 37 -8.002 5.162 -29.353 1.00 0.00 C ATOM 551 O GLU A 37 -7.458 6.053 -28.701 1.00 0.00 O ATOM 552 CB GLU A 37 -10.316 5.892 -29.965 1.00 0.00 C ATOM 553 CG GLU A 37 -11.167 6.660 -30.962 1.00 0.00 C ATOM 554 CD GLU A 37 -11.352 8.114 -30.574 1.00 0.00 C ATOM 555 OE1 GLU A 37 -10.412 8.697 -29.994 1.00 0.00 O ATOM 556 OE2 GLU A 37 -12.436 8.669 -30.849 1.00 0.00 O ATOM 0 H GLU A 37 -9.893 3.795 -31.279 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.522 6.337 -31.061 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.850 4.991 -29.662 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.183 6.500 -29.070 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.703 6.607 -31.947 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.144 6.183 -31.044 1.00 0.00 H new ATOM 563 N LYS A 38 -7.818 3.869 -29.105 1.00 0.00 N ATOM 564 CA LYS A 38 -6.945 3.413 -28.029 1.00 0.00 C ATOM 565 C LYS A 38 -7.412 3.956 -26.683 1.00 0.00 C ATOM 566 O LYS A 38 -6.605 4.421 -25.877 1.00 0.00 O ATOM 567 CB LYS A 38 -5.503 3.850 -28.295 1.00 0.00 C ATOM 568 CG LYS A 38 -4.960 3.376 -29.632 1.00 0.00 C ATOM 569 CD LYS A 38 -4.265 2.030 -29.507 1.00 0.00 C ATOM 570 CE LYS A 38 -3.759 1.536 -30.853 1.00 0.00 C ATOM 571 NZ LYS A 38 -2.440 0.856 -30.734 1.00 0.00 N ATOM 0 H LYS A 38 -8.262 3.119 -29.635 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.988 2.324 -27.996 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.449 4.938 -28.256 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.864 3.470 -27.498 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.776 3.300 -30.351 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.259 4.113 -30.023 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.430 2.114 -28.812 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.957 1.300 -29.087 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.485 0.847 -31.283 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.673 2.378 -31.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.130 0.534 -31.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.740 1.521 -30.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.528 0.037 -30.099 1.00 0.00 H new ATOM 585 N ILE A 39 -8.718 3.894 -26.445 1.00 0.00 N ATOM 586 CA ILE A 39 -9.290 4.377 -25.195 1.00 0.00 C ATOM 587 C ILE A 39 -8.702 3.636 -23.998 1.00 0.00 C ATOM 588 O ILE A 39 -8.968 2.452 -23.796 1.00 0.00 O ATOM 589 CB ILE A 39 -10.822 4.220 -25.179 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.446 4.981 -26.350 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.391 4.713 -23.857 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.136 6.461 -26.344 1.00 0.00 C ATOM 0 H ILE A 39 -9.400 3.514 -27.102 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.040 5.436 -25.123 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.066 3.163 -25.285 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.090 4.548 -27.285 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.527 4.845 -26.326 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.475 4.596 -23.861 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.966 4.132 -23.039 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.141 5.765 -23.723 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.611 6.936 -27.203 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.516 6.909 -25.426 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.057 6.607 -26.399 1.00 0.00 H new ATOM 604 N SER A 40 -7.902 4.343 -23.206 1.00 0.00 N ATOM 605 CA SER A 40 -7.274 3.753 -22.030 1.00 0.00 C ATOM 606 C SER A 40 -8.214 3.805 -20.829 1.00 0.00 C ATOM 607 O SER A 40 -9.185 4.561 -20.818 1.00 0.00 O ATOM 608 CB SER A 40 -5.969 4.480 -21.703 1.00 0.00 C ATOM 609 OG SER A 40 -6.212 5.638 -20.922 1.00 0.00 O ATOM 0 H SER A 40 -7.674 5.325 -23.358 1.00 0.00 H new ATOM 0 HA SER A 40 -7.053 2.709 -22.252 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.300 3.808 -21.165 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.464 4.760 -22.627 1.00 0.00 H new ATOM 0 HG SER A 40 -5.362 6.084 -20.725 1.00 0.00 H new ATOM 615 N GLY A 41 -7.917 2.995 -19.817 1.00 0.00 N ATOM 616 CA GLY A 41 -8.743 2.964 -18.625 1.00 0.00 C ATOM 617 C GLY A 41 -8.879 4.328 -17.977 1.00 0.00 C ATOM 618 O GLY A 41 -9.978 4.738 -17.604 1.00 0.00 O ATOM 0 H GLY A 41 -7.119 2.360 -19.802 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.733 2.587 -18.883 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.313 2.266 -17.907 1.00 0.00 H new ATOM 622 N ASP A 42 -7.760 5.030 -17.842 1.00 0.00 N ATOM 623 CA ASP A 42 -7.759 6.356 -17.234 1.00 0.00 C ATOM 624 C ASP A 42 -8.791 7.261 -17.901 1.00 0.00 C ATOM 625 O ASP A 42 -9.342 8.161 -17.268 1.00 0.00 O ATOM 626 CB ASP A 42 -6.369 6.986 -17.336 1.00 0.00 C ATOM 627 CG ASP A 42 -6.193 8.158 -16.390 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.057 7.921 -15.172 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.194 9.312 -16.868 1.00 0.00 O ATOM 0 H ASP A 42 -6.842 4.704 -18.145 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.024 6.246 -16.182 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.614 6.231 -17.118 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.199 7.320 -18.359 1.00 0.00 H new ATOM 634 N GLN A 43 -9.045 7.015 -19.182 1.00 0.00 N ATOM 635 CA GLN A 43 -10.009 7.809 -19.935 1.00 0.00 C ATOM 636 C GLN A 43 -11.418 7.245 -19.780 1.00 0.00 C ATOM 637 O GLN A 43 -12.404 7.978 -19.866 1.00 0.00 O ATOM 638 CB GLN A 43 -9.623 7.851 -21.414 1.00 0.00 C ATOM 639 CG GLN A 43 -8.377 8.676 -21.695 1.00 0.00 C ATOM 640 CD GLN A 43 -8.605 9.734 -22.756 1.00 0.00 C ATOM 641 OE1 GLN A 43 -8.931 10.880 -22.446 1.00 0.00 O ATOM 642 NE2 GLN A 43 -8.432 9.355 -24.017 1.00 0.00 N ATOM 0 H GLN A 43 -8.597 6.273 -19.720 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.997 8.823 -19.536 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.462 6.833 -21.768 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.456 8.259 -21.987 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.048 9.156 -20.773 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.572 8.014 -22.014 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -8.161 8.394 -24.228 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.570 10.024 -24.774 1.00 0.00 H new ATOM 651 N LEU A 44 -11.505 5.939 -19.553 1.00 0.00 N ATOM 652 CA LEU A 44 -12.793 5.276 -19.387 1.00 0.00 C ATOM 653 C LEU A 44 -13.412 5.618 -18.035 1.00 0.00 C ATOM 654 O LEU A 44 -14.593 5.955 -17.948 1.00 0.00 O ATOM 655 CB LEU A 44 -12.629 3.760 -19.517 1.00 0.00 C ATOM 656 CG LEU A 44 -13.906 2.932 -19.367 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.597 2.769 -20.712 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.591 1.573 -18.759 1.00 0.00 C ATOM 0 H LEU A 44 -10.699 5.318 -19.480 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.461 5.632 -20.172 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.192 3.544 -20.492 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.913 3.426 -18.766 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.583 3.460 -18.696 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.504 2.177 -20.586 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.857 3.750 -21.109 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.927 2.262 -21.406 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.511 0.997 -18.659 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.896 1.037 -19.405 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.140 1.710 -17.776 1.00 0.00 H new ATOM 670 N LEU A 45 -12.605 5.530 -16.983 1.00 0.00 N ATOM 671 CA LEU A 45 -13.072 5.833 -15.634 1.00 0.00 C ATOM 672 C LEU A 45 -13.657 7.240 -15.563 1.00 0.00 C ATOM 673 O LEU A 45 -14.583 7.500 -14.794 1.00 0.00 O ATOM 674 CB LEU A 45 -11.924 5.694 -14.633 1.00 0.00 C ATOM 675 CG LEU A 45 -12.157 4.722 -13.476 1.00 0.00 C ATOM 676 CD1 LEU A 45 -12.540 3.348 -14.002 1.00 0.00 C ATOM 677 CD2 LEU A 45 -10.917 4.632 -12.598 1.00 0.00 C ATOM 0 H LEU A 45 -11.625 5.252 -17.038 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.857 5.121 -15.379 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.033 5.376 -15.174 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.710 6.678 -14.217 1.00 0.00 H new ATOM 0 HG LEU A 45 -12.981 5.099 -12.870 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.702 2.670 -13.164 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.456 3.425 -14.588 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.738 2.963 -14.631 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.100 3.936 -11.780 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.075 4.279 -13.193 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.686 5.617 -12.192 1.00 0.00 H new ATOM 689 N ARG A 46 -13.113 8.143 -16.372 1.00 0.00 N ATOM 690 CA ARG A 46 -13.581 9.523 -16.402 1.00 0.00 C ATOM 691 C ARG A 46 -14.229 9.849 -17.744 1.00 0.00 C ATOM 692 O ARG A 46 -14.221 10.999 -18.186 1.00 0.00 O ATOM 693 CB ARG A 46 -12.421 10.484 -16.136 1.00 0.00 C ATOM 694 CG ARG A 46 -11.397 10.528 -17.259 1.00 0.00 C ATOM 695 CD ARG A 46 -11.252 11.931 -17.826 1.00 0.00 C ATOM 696 NE ARG A 46 -10.563 12.827 -16.901 1.00 0.00 N ATOM 697 CZ ARG A 46 -9.262 12.753 -16.639 1.00 0.00 C ATOM 698 NH1 ARG A 46 -8.515 11.831 -17.230 1.00 0.00 N ATOM 699 NH2 ARG A 46 -8.707 13.604 -15.786 1.00 0.00 N ATOM 0 H ARG A 46 -12.347 7.943 -17.016 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.329 9.643 -15.619 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.819 11.486 -15.979 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.922 10.191 -15.212 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.432 10.183 -16.887 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.696 9.843 -18.052 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.701 11.887 -18.766 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.239 12.334 -18.053 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.110 13.548 -16.431 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.938 11.176 -17.888 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.517 11.776 -17.027 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.279 14.316 -15.331 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.709 13.547 -15.585 1.00 0.00 H new ATOM 713 N ILE A 47 -14.787 8.830 -18.389 1.00 0.00 N ATOM 714 CA ILE A 47 -15.438 9.008 -19.681 1.00 0.00 C ATOM 715 C ILE A 47 -16.702 9.851 -19.547 1.00 0.00 C ATOM 716 O ILE A 47 -17.501 9.653 -18.630 1.00 0.00 O ATOM 717 CB ILE A 47 -15.802 7.655 -20.319 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.306 7.860 -21.749 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.850 6.938 -19.481 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.475 7.143 -22.791 1.00 0.00 C ATOM 0 H ILE A 47 -14.801 7.872 -18.038 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.726 9.524 -20.325 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.906 7.035 -20.354 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.337 7.512 -21.816 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.314 8.927 -21.973 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -17.096 5.983 -19.946 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.458 6.764 -18.479 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.748 7.553 -19.417 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.890 7.333 -23.781 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.449 7.508 -22.752 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.487 6.071 -22.592 1.00 0.00 H new ATOM 732 N THR A 48 -16.880 10.792 -20.469 1.00 0.00 N ATOM 733 CA THR A 48 -18.047 11.665 -20.455 1.00 0.00 C ATOM 734 C THR A 48 -18.736 11.683 -21.814 1.00 0.00 C ATOM 735 O THR A 48 -18.206 11.164 -22.798 1.00 0.00 O ATOM 736 CB THR A 48 -17.666 13.106 -20.067 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.847 13.900 -19.911 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.764 13.730 -21.121 1.00 0.00 C ATOM 0 H THR A 48 -16.230 10.969 -21.235 1.00 0.00 H new ATOM 0 HA THR A 48 -18.732 11.264 -19.708 1.00 0.00 H new ATOM 0 HB THR A 48 -17.124 13.073 -19.122 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.596 14.814 -19.663 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.508 14.747 -20.825 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.853 13.140 -21.216 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.284 13.751 -22.079 1.00 0.00 H new ATOM 746 N HIS A 49 -19.922 12.282 -21.864 1.00 0.00 N ATOM 747 CA HIS A 49 -20.684 12.368 -23.105 1.00 0.00 C ATOM 748 C HIS A 49 -19.831 12.955 -24.226 1.00 0.00 C ATOM 749 O HIS A 49 -19.845 12.458 -25.352 1.00 0.00 O ATOM 750 CB HIS A 49 -21.936 13.222 -22.901 1.00 0.00 C ATOM 751 CG HIS A 49 -23.018 12.524 -22.135 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.651 11.350 -22.367 1.00 0.00 N flip ATOM 753 CD2 HIS A 49 -23.571 13.034 -20.979 1.00 0.00 C flip ATOM 754 CE1 HIS A 49 -24.564 11.174 -21.357 1.00 0.00 C flip ATOM 755 NE2 HIS A 49 -24.496 12.203 -20.533 1.00 0.00 N flip ATOM 0 H HIS A 49 -20.376 12.715 -21.060 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.984 11.359 -23.390 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.661 14.136 -22.374 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.325 13.520 -23.875 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -23.292 13.967 -20.512 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.230 10.330 -21.253 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -25.062 12.334 -19.694 1.00 0.00 H new ATOM 763 N GLN A 50 -19.092 14.013 -23.910 1.00 0.00 N ATOM 764 CA GLN A 50 -18.236 14.667 -24.892 1.00 0.00 C ATOM 765 C GLN A 50 -17.275 13.667 -25.527 1.00 0.00 C ATOM 766 O GLN A 50 -17.226 13.530 -26.749 1.00 0.00 O ATOM 767 CB GLN A 50 -17.448 15.803 -24.237 1.00 0.00 C ATOM 768 CG GLN A 50 -17.400 17.071 -25.074 1.00 0.00 C ATOM 769 CD GLN A 50 -18.768 17.698 -25.263 1.00 0.00 C ATOM 770 OE1 GLN A 50 -19.277 18.384 -24.376 1.00 0.00 O ATOM 771 NE2 GLN A 50 -19.370 17.465 -26.423 1.00 0.00 N ATOM 0 H GLN A 50 -19.069 14.436 -22.982 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.873 15.080 -25.674 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.894 16.033 -23.269 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.430 15.465 -24.046 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.737 17.792 -24.596 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -16.972 16.842 -26.050 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -18.911 16.890 -27.130 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -20.292 17.861 -26.608 1.00 0.00 H new ATOM 780 N GLU A 51 -16.512 12.972 -24.689 1.00 0.00 N ATOM 781 CA GLU A 51 -15.552 11.986 -25.171 1.00 0.00 C ATOM 782 C GLU A 51 -16.243 10.921 -26.017 1.00 0.00 C ATOM 783 O GLU A 51 -15.791 10.594 -27.115 1.00 0.00 O ATOM 784 CB GLU A 51 -14.830 11.327 -23.993 1.00 0.00 C ATOM 785 CG GLU A 51 -13.938 12.281 -23.216 1.00 0.00 C ATOM 786 CD GLU A 51 -12.465 12.067 -23.503 1.00 0.00 C ATOM 787 OE1 GLU A 51 -11.979 12.588 -24.529 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.797 11.379 -22.702 1.00 0.00 O ATOM 0 H GLU A 51 -16.540 13.073 -23.674 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.822 12.502 -25.794 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.571 10.902 -23.315 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.226 10.499 -24.365 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.207 13.308 -23.464 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.119 12.153 -22.149 1.00 0.00 H new ATOM 795 N LEU A 52 -17.342 10.384 -25.499 1.00 0.00 N ATOM 796 CA LEU A 52 -18.097 9.355 -26.206 1.00 0.00 C ATOM 797 C LEU A 52 -18.431 9.803 -27.625 1.00 0.00 C ATOM 798 O LEU A 52 -18.273 9.042 -28.579 1.00 0.00 O ATOM 799 CB LEU A 52 -19.384 9.027 -25.447 1.00 0.00 C ATOM 800 CG LEU A 52 -19.276 7.934 -24.383 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.364 8.101 -23.334 1.00 0.00 C ATOM 802 CD2 LEU A 52 -19.357 6.556 -25.024 1.00 0.00 C ATOM 0 H LEU A 52 -17.730 10.644 -24.592 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.478 8.460 -26.263 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.742 9.938 -24.968 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.143 8.728 -26.170 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.308 8.027 -23.891 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.271 7.314 -22.585 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.260 9.074 -22.853 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.342 8.035 -23.811 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -19.278 5.790 -24.252 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.310 6.452 -25.543 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -18.541 6.438 -25.737 1.00 0.00 H new ATOM 814 N GLU A 53 -18.889 11.044 -27.756 1.00 0.00 N ATOM 815 CA GLU A 53 -19.243 11.593 -29.060 1.00 0.00 C ATOM 816 C GLU A 53 -18.080 11.463 -30.039 1.00 0.00 C ATOM 817 O GLU A 53 -18.268 11.090 -31.197 1.00 0.00 O ATOM 818 CB GLU A 53 -19.650 13.062 -28.926 1.00 0.00 C ATOM 819 CG GLU A 53 -21.037 13.361 -29.471 1.00 0.00 C ATOM 820 CD GLU A 53 -21.350 14.845 -29.484 1.00 0.00 C ATOM 821 OE1 GLU A 53 -20.520 15.621 -30.003 1.00 0.00 O ATOM 822 OE2 GLU A 53 -22.424 15.230 -28.976 1.00 0.00 O ATOM 0 H GLU A 53 -19.024 11.688 -26.976 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.087 11.024 -29.448 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -19.613 13.346 -27.874 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -18.922 13.681 -29.449 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.118 12.967 -30.484 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.781 12.842 -28.867 1.00 0.00 H new ATOM 829 N ASP A 54 -16.878 11.773 -29.565 1.00 0.00 N ATOM 830 CA ASP A 54 -15.684 11.691 -30.397 1.00 0.00 C ATOM 831 C ASP A 54 -15.528 10.294 -30.989 1.00 0.00 C ATOM 832 O ASP A 54 -15.129 10.137 -32.144 1.00 0.00 O ATOM 833 CB ASP A 54 -14.442 12.054 -29.581 1.00 0.00 C ATOM 834 CG ASP A 54 -13.228 12.305 -30.455 1.00 0.00 C ATOM 835 OD1 ASP A 54 -12.689 11.328 -31.014 1.00 0.00 O ATOM 836 OD2 ASP A 54 -12.818 13.478 -30.577 1.00 0.00 O ATOM 0 H ASP A 54 -16.705 12.083 -28.609 1.00 0.00 H new ATOM 0 HA ASP A 54 -15.793 12.402 -31.216 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.649 12.944 -28.987 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.222 11.248 -28.881 1.00 0.00 H new ATOM 841 N LEU A 55 -15.845 9.281 -30.190 1.00 0.00 N ATOM 842 CA LEU A 55 -15.740 7.895 -30.634 1.00 0.00 C ATOM 843 C LEU A 55 -16.816 7.570 -31.666 1.00 0.00 C ATOM 844 O LEU A 55 -16.646 6.679 -32.496 1.00 0.00 O ATOM 845 CB LEU A 55 -15.859 6.946 -29.440 1.00 0.00 C ATOM 846 CG LEU A 55 -14.704 6.979 -28.439 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.223 6.803 -27.020 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.679 5.904 -28.771 1.00 0.00 C ATOM 0 H LEU A 55 -16.177 9.393 -29.232 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.764 7.762 -31.100 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.781 7.178 -28.908 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -15.956 5.928 -29.818 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.216 7.951 -28.508 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.387 6.829 -26.321 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.918 7.609 -26.784 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.736 5.845 -26.936 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.864 5.943 -28.048 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.154 4.924 -28.731 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.284 6.075 -29.772 1.00 0.00 H new ATOM 860 N GLY A 56 -17.925 8.302 -31.607 1.00 0.00 N ATOM 861 CA GLY A 56 -19.011 8.079 -32.543 1.00 0.00 C ATOM 862 C GLY A 56 -20.352 7.931 -31.851 1.00 0.00 C ATOM 863 O GLY A 56 -21.401 8.091 -32.474 1.00 0.00 O ATOM 0 H GLY A 56 -18.090 9.045 -30.928 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.058 8.911 -33.245 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.805 7.181 -33.126 1.00 0.00 H new ATOM 867 N VAL A 57 -20.317 7.624 -30.558 1.00 0.00 N ATOM 868 CA VAL A 57 -21.539 7.455 -29.780 1.00 0.00 C ATOM 869 C VAL A 57 -22.323 8.760 -29.696 1.00 0.00 C ATOM 870 O VAL A 57 -22.091 9.579 -28.808 1.00 0.00 O ATOM 871 CB VAL A 57 -21.232 6.961 -28.353 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.518 6.608 -27.622 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.287 5.770 -28.394 1.00 0.00 C ATOM 0 H VAL A 57 -19.457 7.487 -30.028 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.140 6.706 -30.295 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.741 7.766 -27.806 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.281 6.261 -26.616 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.156 7.490 -27.561 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.040 5.820 -28.164 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.081 5.434 -27.378 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.748 4.959 -28.958 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.354 6.062 -28.876 1.00 0.00 H new ATOM 883 N SER A 58 -23.252 8.946 -30.628 1.00 0.00 N ATOM 884 CA SER A 58 -24.069 10.153 -30.662 1.00 0.00 C ATOM 885 C SER A 58 -25.388 9.938 -29.926 1.00 0.00 C ATOM 886 O SER A 58 -25.990 10.884 -29.419 1.00 0.00 O ATOM 887 CB SER A 58 -24.342 10.569 -32.109 1.00 0.00 C ATOM 888 OG SER A 58 -23.829 11.863 -32.374 1.00 0.00 O ATOM 0 H SER A 58 -23.458 8.276 -31.369 1.00 0.00 H new ATOM 0 HA SER A 58 -23.518 10.948 -30.160 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.888 9.848 -32.789 1.00 0.00 H new ATOM 0 HB3 SER A 58 -25.415 10.554 -32.298 1.00 0.00 H new ATOM 0 HG SER A 58 -24.015 12.104 -33.305 1.00 0.00 H new ATOM 894 N ARG A 59 -25.831 8.686 -29.872 1.00 0.00 N ATOM 895 CA ARG A 59 -27.078 8.345 -29.199 1.00 0.00 C ATOM 896 C ARG A 59 -27.017 8.715 -27.720 1.00 0.00 C ATOM 897 O ARG A 59 -25.968 9.113 -27.213 1.00 0.00 O ATOM 898 CB ARG A 59 -27.373 6.852 -29.350 1.00 0.00 C ATOM 899 CG ARG A 59 -28.424 6.541 -30.403 1.00 0.00 C ATOM 900 CD ARG A 59 -29.816 6.463 -29.795 1.00 0.00 C ATOM 901 NE ARG A 59 -30.479 7.764 -29.777 1.00 0.00 N ATOM 902 CZ ARG A 59 -31.759 7.932 -29.466 1.00 0.00 C ATOM 903 NH1 ARG A 59 -32.510 6.887 -29.148 1.00 0.00 N ATOM 904 NH2 ARG A 59 -32.291 9.148 -29.471 1.00 0.00 N ATOM 0 H ARG A 59 -25.344 7.891 -30.286 1.00 0.00 H new ATOM 0 HA ARG A 59 -27.881 8.916 -29.666 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.450 6.332 -29.606 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.705 6.457 -28.390 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -28.406 7.310 -31.175 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -28.185 5.595 -30.889 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -30.421 5.756 -30.363 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -29.746 6.078 -28.778 1.00 0.00 H new ATOM 0 HE ARG A 59 -29.929 8.589 -30.016 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -32.105 5.951 -29.142 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -33.493 7.019 -28.910 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -31.716 9.955 -29.714 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -33.274 9.275 -29.232 1.00 0.00 H new ATOM 918 N ILE A 60 -28.148 8.581 -27.035 1.00 0.00 N ATOM 919 CA ILE A 60 -28.222 8.901 -25.615 1.00 0.00 C ATOM 920 C ILE A 60 -28.291 7.634 -24.769 1.00 0.00 C ATOM 921 O ILE A 60 -27.538 7.474 -23.809 1.00 0.00 O ATOM 922 CB ILE A 60 -29.444 9.783 -25.299 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.407 11.062 -26.137 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.488 10.116 -23.815 1.00 0.00 C ATOM 925 CD1 ILE A 60 -28.213 11.943 -25.844 1.00 0.00 C ATOM 0 H ILE A 60 -29.025 8.253 -27.440 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.314 9.451 -25.368 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.348 9.230 -25.554 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.400 10.794 -27.194 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -30.320 11.630 -25.958 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -30.357 10.740 -23.608 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.557 9.194 -23.237 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.581 10.653 -23.535 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -28.253 12.831 -26.475 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -28.229 12.241 -24.796 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.295 11.392 -26.050 1.00 0.00 H new ATOM 937 N GLY A 61 -29.200 6.735 -25.133 1.00 0.00 N ATOM 938 CA GLY A 61 -29.350 5.492 -24.399 1.00 0.00 C ATOM 939 C GLY A 61 -28.068 4.684 -24.359 1.00 0.00 C ATOM 940 O GLY A 61 -27.729 4.095 -23.332 1.00 0.00 O ATOM 0 H GLY A 61 -29.835 6.845 -25.923 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.669 5.712 -23.380 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.138 4.895 -24.858 1.00 0.00 H new ATOM 944 N HIS A 62 -27.355 4.653 -25.480 1.00 0.00 N ATOM 945 CA HIS A 62 -26.103 3.910 -25.569 1.00 0.00 C ATOM 946 C HIS A 62 -25.025 4.555 -24.704 1.00 0.00 C ATOM 947 O HIS A 62 -24.252 3.863 -24.041 1.00 0.00 O ATOM 948 CB HIS A 62 -25.631 3.837 -27.022 1.00 0.00 C ATOM 949 CG HIS A 62 -26.660 3.282 -27.959 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.789 3.699 -29.267 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.611 2.338 -27.771 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.776 3.036 -29.842 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.291 2.203 -28.956 1.00 0.00 N ATOM 0 H HIS A 62 -27.622 5.133 -26.339 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.282 2.900 -25.201 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.350 4.836 -27.355 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.734 3.220 -27.073 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.800 1.792 -26.858 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -28.106 3.155 -30.863 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -29.068 1.563 -29.125 1.00 0.00 H new ATOM 961 N GLN A 63 -24.979 5.883 -24.716 1.00 0.00 N ATOM 962 CA GLN A 63 -23.994 6.620 -23.933 1.00 0.00 C ATOM 963 C GLN A 63 -24.094 6.260 -22.455 1.00 0.00 C ATOM 964 O GLN A 63 -23.081 6.144 -21.766 1.00 0.00 O ATOM 965 CB GLN A 63 -24.189 8.126 -24.118 1.00 0.00 C ATOM 966 CG GLN A 63 -23.637 8.655 -25.432 1.00 0.00 C ATOM 967 CD GLN A 63 -23.862 10.144 -25.602 1.00 0.00 C ATOM 968 OE1 GLN A 63 -24.919 10.669 -25.250 1.00 0.00 O ATOM 969 NE2 GLN A 63 -22.865 10.835 -26.144 1.00 0.00 N ATOM 0 H GLN A 63 -25.612 6.471 -25.259 1.00 0.00 H new ATOM 0 HA GLN A 63 -23.002 6.343 -24.289 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.253 8.356 -24.062 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.706 8.650 -23.293 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.569 8.445 -25.484 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -24.107 8.124 -26.259 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -22.006 10.359 -26.421 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -22.958 11.841 -26.283 1.00 0.00 H new ATOM 978 N GLU A 64 -25.321 6.085 -21.975 1.00 0.00 N ATOM 979 CA GLU A 64 -25.552 5.739 -20.577 1.00 0.00 C ATOM 980 C GLU A 64 -25.319 4.249 -20.340 1.00 0.00 C ATOM 981 O GLU A 64 -24.892 3.841 -19.259 1.00 0.00 O ATOM 982 CB GLU A 64 -26.976 6.116 -20.164 1.00 0.00 C ATOM 983 CG GLU A 64 -27.090 7.513 -19.578 1.00 0.00 C ATOM 984 CD GLU A 64 -27.118 7.511 -18.062 1.00 0.00 C ATOM 985 OE1 GLU A 64 -26.039 7.368 -17.450 1.00 0.00 O ATOM 986 OE2 GLU A 64 -28.218 7.650 -17.488 1.00 0.00 O ATOM 0 H GLU A 64 -26.170 6.177 -22.533 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.844 6.301 -19.968 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.629 6.041 -21.033 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.336 5.393 -19.432 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.249 8.116 -19.921 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -27.997 7.987 -19.953 1.00 0.00 H new ATOM 993 N LEU A 65 -25.603 3.443 -21.356 1.00 0.00 N ATOM 994 CA LEU A 65 -25.425 1.998 -21.260 1.00 0.00 C ATOM 995 C LEU A 65 -24.011 1.653 -20.802 1.00 0.00 C ATOM 996 O LEU A 65 -23.823 0.846 -19.891 1.00 0.00 O ATOM 997 CB LEU A 65 -25.713 1.338 -22.609 1.00 0.00 C ATOM 998 CG LEU A 65 -27.126 0.786 -22.799 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.399 0.511 -24.269 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.320 -0.478 -21.973 1.00 0.00 C ATOM 0 H LEU A 65 -25.958 3.765 -22.256 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.129 1.618 -20.520 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.521 2.067 -23.396 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -25.004 0.522 -22.750 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.838 1.536 -22.453 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.409 0.119 -24.384 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.302 1.437 -24.836 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.681 -0.220 -24.642 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.331 -0.857 -22.120 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.600 -1.233 -22.288 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -27.168 -0.250 -20.918 1.00 0.00 H new ATOM 1012 N ILE A 66 -23.022 2.270 -21.439 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.626 2.030 -21.095 1.00 0.00 C ATOM 1014 C ILE A 66 -21.315 2.520 -19.685 1.00 0.00 C ATOM 1015 O ILE A 66 -20.765 1.781 -18.867 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.674 2.723 -22.089 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -20.992 2.288 -23.521 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.227 2.408 -21.743 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.282 3.110 -24.573 1.00 0.00 C ATOM 0 H ILE A 66 -23.161 2.940 -22.196 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.469 0.952 -21.145 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.818 3.801 -22.016 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.717 1.240 -23.643 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.068 2.357 -23.683 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.567 2.904 -22.454 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -19.008 2.763 -20.736 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.068 1.331 -21.791 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.554 2.746 -25.564 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.575 4.155 -24.477 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.204 3.022 -24.437 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.672 3.769 -19.407 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.433 4.358 -18.093 1.00 0.00 C ATOM 1033 C LEU A 67 -21.982 3.463 -16.987 1.00 0.00 C ATOM 1034 O LEU A 67 -21.282 3.150 -16.025 1.00 0.00 O ATOM 1035 CB LEU A 67 -22.076 5.743 -18.010 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.640 6.751 -19.075 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.663 7.869 -19.202 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -20.267 7.317 -18.743 1.00 0.00 C ATOM 0 H LEU A 67 -22.128 4.393 -20.073 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.356 4.455 -17.955 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.158 5.624 -18.073 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.858 6.164 -17.029 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.576 6.234 -20.033 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -22.336 8.576 -19.964 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.628 7.449 -19.487 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.760 8.384 -18.246 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.973 8.032 -19.511 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.304 7.818 -17.776 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.539 6.507 -18.704 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.239 3.053 -17.133 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.880 2.193 -16.146 1.00 0.00 C ATOM 1052 C GLU A 68 -23.044 0.943 -15.888 1.00 0.00 C ATOM 1053 O GLU A 68 -23.088 0.367 -14.801 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.280 1.794 -16.617 1.00 0.00 C ATOM 1055 CG GLU A 68 -25.936 0.734 -15.748 1.00 0.00 C ATOM 1056 CD GLU A 68 -27.432 0.939 -15.607 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -27.864 2.108 -15.514 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -28.171 -0.067 -15.591 1.00 0.00 O ATOM 0 H GLU A 68 -23.832 3.303 -17.924 1.00 0.00 H new ATOM 0 HA GLU A 68 -23.963 2.753 -15.214 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.914 2.680 -16.635 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.218 1.425 -17.641 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -25.747 -0.250 -16.177 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.477 0.745 -14.759 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.282 0.529 -16.895 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.434 -0.651 -16.778 1.00 0.00 C ATOM 1067 C ALA A 69 -20.119 -0.315 -16.082 1.00 0.00 C ATOM 1068 O ALA A 69 -19.630 -1.083 -15.254 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.168 -1.248 -18.152 1.00 0.00 C ATOM 0 H ALA A 69 -22.235 0.994 -17.802 1.00 0.00 H new ATOM 0 HA ALA A 69 -21.960 -1.387 -16.170 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.534 -2.128 -18.050 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.113 -1.534 -18.614 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.666 -0.510 -18.778 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.552 0.838 -16.423 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.294 1.275 -15.830 1.00 0.00 C ATOM 1077 C VAL A 70 -18.450 1.531 -14.336 1.00 0.00 C ATOM 1078 O VAL A 70 -17.536 1.273 -13.552 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.770 2.555 -16.508 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.474 3.012 -15.855 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.574 2.327 -17.999 1.00 0.00 C ATOM 0 H VAL A 70 -19.944 1.486 -17.106 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.575 0.471 -15.984 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.512 3.343 -16.380 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.118 3.917 -16.347 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.651 3.218 -14.799 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.722 2.228 -15.950 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.203 3.242 -18.461 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -16.852 1.525 -18.153 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.526 2.051 -18.453 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.614 2.040 -13.947 1.00 0.00 N ATOM 1092 CA ASP A 71 -19.892 2.330 -12.545 1.00 0.00 C ATOM 1093 C ASP A 71 -19.604 1.113 -11.671 1.00 0.00 C ATOM 1094 O ASP A 71 -19.117 1.244 -10.547 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.347 2.766 -12.371 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.539 3.680 -11.176 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -20.550 3.932 -10.458 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -22.679 4.141 -10.959 1.00 0.00 O ATOM 0 H ASP A 71 -20.380 2.260 -14.583 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.238 3.143 -12.231 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.680 3.278 -13.274 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.976 1.884 -12.255 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.909 -0.069 -12.194 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.685 -1.310 -11.461 1.00 0.00 C ATOM 1105 C LEU A 72 -18.194 -1.602 -11.328 1.00 0.00 C ATOM 1106 O LEU A 72 -17.739 -2.111 -10.302 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.383 -2.475 -12.166 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.776 -2.835 -11.649 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.464 -3.803 -12.598 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -21.688 -3.428 -10.250 1.00 0.00 C ATOM 0 H LEU A 72 -20.312 -0.194 -13.123 1.00 0.00 H new ATOM 0 HA LEU A 72 -20.105 -1.194 -10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.461 -2.237 -13.227 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.748 -3.357 -12.083 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.371 -1.923 -11.599 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.454 -4.048 -12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.560 -3.342 -13.581 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -21.872 -4.714 -12.681 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -22.689 -3.678 -9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.076 -4.329 -10.275 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.237 -2.701 -9.575 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.437 -1.275 -12.369 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.995 -1.499 -12.368 1.00 0.00 C ATOM 1124 C LEU A 73 -15.318 -0.681 -11.273 1.00 0.00 C ATOM 1125 O LEU A 73 -14.514 -1.204 -10.501 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.402 -1.139 -13.731 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.293 -2.283 -14.739 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.841 -1.760 -16.094 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -14.335 -3.352 -14.232 1.00 0.00 C ATOM 0 H LEU A 73 -17.797 -0.854 -13.225 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.816 -2.556 -12.169 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.010 -0.349 -14.172 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.406 -0.724 -13.574 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.279 -2.733 -14.856 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.769 -2.589 -16.798 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.564 -1.032 -16.463 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.866 -1.284 -15.993 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.270 -4.158 -14.963 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.347 -2.915 -14.085 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.701 -3.749 -13.285 1.00 0.00 H new