USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=12 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 49 HIS :FLIP no HD1:sc=-0.000539 F(o=-0.91,f=0.051) USER MOD Set 1.2: A 63 GLN : amide:sc= 0.0516 K(o=0.051,f=-2!) USER MOD Set 2.1: A 40 SER OG : rot 112:sc= 0.161 USER MOD Set 2.2: A 43 GLN : amide:sc= 0 X(o=0.16,f=0.16) USER MOD Set 3.1: A 26 CYS SG : rot -133:sc= 0.697 USER MOD Set 3.2: A 30 TYR OH : rot 30:sc= 0.393 USER MOD Set 3.3: A 62 HIS : no HE2:sc= 0.297 K(o=1.4,f=-6.6!) 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 12 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0287 K(o=-0.029,f=-1.3) USER MOD Single : A 20 MET CE :methyl 134:sc= -0.955 (180deg=-2.97!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.187 K(o=0.19,f=-1.6) USER MOD Single : A 29 GLN : amide:sc= 0.0538 X(o=0.054,f=-0.047) USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00174) USER MOD Single : A 33 ASN : amide:sc= -0.355 X(o=-0.35,f=-0.73) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 58 SER OG : rot 180:sc= 0.039 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.645 -0.040 -10.518 1.00 0.00 N ATOM 60 CA GLY A 7 -6.570 -1.065 -11.542 1.00 0.00 C ATOM 61 C GLY A 7 -7.186 -0.620 -12.854 1.00 0.00 C ATOM 62 O GLY A 7 -6.496 -0.519 -13.869 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.527 -1.334 -11.707 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.079 -1.963 -11.191 1.00 0.00 H new ATOM 66 N VAL A 8 -8.488 -0.355 -12.835 1.00 0.00 N ATOM 67 CA VAL A 8 -9.197 0.081 -14.032 1.00 0.00 C ATOM 68 C VAL A 8 -8.621 1.387 -14.567 1.00 0.00 C ATOM 69 O VAL A 8 -8.735 1.687 -15.755 1.00 0.00 O ATOM 70 CB VAL A 8 -10.700 0.272 -13.755 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.440 0.615 -15.039 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.286 -0.976 -13.111 1.00 0.00 C ATOM 0 H VAL A 8 -9.074 -0.435 -12.004 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.069 -0.702 -14.779 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.821 1.103 -13.060 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.500 0.746 -14.824 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.037 1.538 -15.456 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.313 -0.193 -15.759 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.349 -0.823 -12.922 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.155 -1.826 -13.780 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.775 -1.173 -12.169 1.00 0.00 H new ATOM 82 N SER A 9 -8.000 2.160 -13.682 1.00 0.00 N ATOM 83 CA SER A 9 -7.407 3.436 -14.065 1.00 0.00 C ATOM 84 C SER A 9 -6.138 3.222 -14.884 1.00 0.00 C ATOM 85 O SER A 9 -5.760 4.065 -15.698 1.00 0.00 O ATOM 86 CB SER A 9 -7.090 4.269 -12.821 1.00 0.00 C ATOM 87 OG SER A 9 -5.921 3.797 -12.175 1.00 0.00 O ATOM 0 H SER A 9 -7.894 1.925 -12.695 1.00 0.00 H new ATOM 0 HA SER A 9 -8.129 3.974 -14.680 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.957 5.313 -13.103 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.932 4.231 -12.130 1.00 0.00 H new ATOM 0 HG SER A 9 -5.739 4.347 -11.384 1.00 0.00 H new ATOM 93 N LYS A 10 -5.483 2.087 -14.663 1.00 0.00 N ATOM 94 CA LYS A 10 -4.257 1.759 -15.380 1.00 0.00 C ATOM 95 C LYS A 10 -4.517 0.697 -16.444 1.00 0.00 C ATOM 96 O LYS A 10 -3.604 -0.022 -16.853 1.00 0.00 O ATOM 97 CB LYS A 10 -3.187 1.266 -14.403 1.00 0.00 C ATOM 98 CG LYS A 10 -2.976 2.190 -13.216 1.00 0.00 C ATOM 99 CD LYS A 10 -1.565 2.752 -13.191 1.00 0.00 C ATOM 100 CE LYS A 10 -1.340 3.640 -11.976 1.00 0.00 C ATOM 101 NZ LYS A 10 -1.455 5.085 -12.317 1.00 0.00 N ATOM 0 H LYS A 10 -5.781 1.379 -13.992 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.901 2.663 -15.873 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.467 0.278 -14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.244 1.153 -14.937 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.694 3.009 -13.259 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.168 1.646 -12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.846 1.933 -13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.384 3.325 -14.100 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.067 3.390 -11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.352 3.442 -11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.295 5.657 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.744 5.330 -13.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.406 5.279 -12.691 1.00 0.00 H new ATOM 115 N TRP A 11 -5.765 0.604 -16.888 1.00 0.00 N ATOM 116 CA TRP A 11 -6.143 -0.369 -17.906 1.00 0.00 C ATOM 117 C TRP A 11 -5.608 0.038 -19.275 1.00 0.00 C ATOM 118 O TRP A 11 -5.785 1.177 -19.706 1.00 0.00 O ATOM 119 CB TRP A 11 -7.665 -0.514 -17.962 1.00 0.00 C ATOM 120 CG TRP A 11 -8.176 -1.708 -17.213 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.586 -2.318 -16.143 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.380 -2.436 -17.479 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.350 -3.382 -15.728 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.456 -3.474 -16.530 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.401 -2.310 -18.424 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.513 -4.380 -16.503 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.449 -3.210 -18.396 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.499 -4.234 -17.440 1.00 0.00 C ATOM 0 H TRP A 11 -6.532 1.190 -16.559 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.703 -1.329 -17.636 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.124 0.386 -17.553 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.978 -0.586 -19.004 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.656 -2.009 -15.690 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.129 -4.002 -14.949 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.372 -1.523 -19.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.553 -5.170 -15.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.243 -3.123 -19.123 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.332 -4.921 -17.443 1.00 0.00 H new ATOM 139 N SER A 12 -4.954 -0.900 -19.953 1.00 0.00 N ATOM 140 CA SER A 12 -4.391 -0.636 -21.272 1.00 0.00 C ATOM 141 C SER A 12 -5.478 -0.205 -22.251 1.00 0.00 C ATOM 142 O SER A 12 -6.669 -0.437 -22.038 1.00 0.00 O ATOM 143 CB SER A 12 -3.675 -1.880 -21.802 1.00 0.00 C ATOM 144 OG SER A 12 -2.268 -1.718 -21.754 1.00 0.00 O ATOM 0 H SER A 12 -4.801 -1.849 -19.611 1.00 0.00 H new ATOM 0 HA SER A 12 -3.671 0.176 -21.176 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.964 -2.749 -21.211 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.987 -2.074 -22.828 1.00 0.00 H new ATOM 0 HG SER A 12 -1.834 -2.527 -22.096 1.00 0.00 H new ATOM 150 N PRO A 13 -5.061 0.438 -23.352 1.00 0.00 N ATOM 151 CA PRO A 13 -5.983 0.915 -24.387 1.00 0.00 C ATOM 152 C PRO A 13 -6.612 -0.229 -25.175 1.00 0.00 C ATOM 153 O PRO A 13 -7.662 -0.064 -25.795 1.00 0.00 O ATOM 154 CB PRO A 13 -5.089 1.762 -25.295 1.00 0.00 C ATOM 155 CG PRO A 13 -3.719 1.209 -25.101 1.00 0.00 C ATOM 156 CD PRO A 13 -3.658 0.749 -23.670 1.00 0.00 C ATOM 0 HA PRO A 13 -6.824 1.463 -23.963 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.401 1.690 -26.337 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.133 2.816 -25.022 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.531 0.382 -25.785 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.961 1.966 -25.300 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.017 -0.125 -23.556 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.260 1.524 -23.015 1.00 0.00 H new ATOM 164 N SER A 14 -5.963 -1.389 -25.146 1.00 0.00 N ATOM 165 CA SER A 14 -6.457 -2.559 -25.861 1.00 0.00 C ATOM 166 C SER A 14 -7.306 -3.436 -24.945 1.00 0.00 C ATOM 167 O SER A 14 -8.178 -4.172 -25.407 1.00 0.00 O ATOM 168 CB SER A 14 -5.288 -3.371 -26.423 1.00 0.00 C ATOM 169 OG SER A 14 -5.153 -3.170 -27.819 1.00 0.00 O ATOM 0 H SER A 14 -5.094 -1.543 -24.635 1.00 0.00 H new ATOM 0 HA SER A 14 -7.080 -2.214 -26.686 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.365 -3.082 -25.920 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.445 -4.430 -26.218 1.00 0.00 H new ATOM 0 HG SER A 14 -4.399 -3.698 -28.154 1.00 0.00 H new ATOM 175 N GLN A 15 -7.043 -3.352 -23.645 1.00 0.00 N ATOM 176 CA GLN A 15 -7.782 -4.138 -22.664 1.00 0.00 C ATOM 177 C GLN A 15 -9.248 -3.720 -22.624 1.00 0.00 C ATOM 178 O GLN A 15 -10.146 -4.562 -22.644 1.00 0.00 O ATOM 179 CB GLN A 15 -7.156 -3.982 -21.278 1.00 0.00 C ATOM 180 CG GLN A 15 -5.883 -4.790 -21.090 1.00 0.00 C ATOM 181 CD GLN A 15 -6.151 -6.272 -20.921 1.00 0.00 C ATOM 182 OE1 GLN A 15 -7.303 -6.703 -20.859 1.00 0.00 O ATOM 183 NE2 GLN A 15 -5.087 -7.062 -20.845 1.00 0.00 N ATOM 0 H GLN A 15 -6.324 -2.748 -23.247 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.730 -5.185 -22.962 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.936 -2.929 -21.104 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.883 -4.285 -20.524 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.231 -4.639 -21.950 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.348 -4.420 -20.215 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.150 -6.663 -20.901 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.206 -8.069 -20.731 1.00 0.00 H new ATOM 192 N VAL A 16 -9.484 -2.413 -22.567 1.00 0.00 N ATOM 193 CA VAL A 16 -10.841 -1.882 -22.524 1.00 0.00 C ATOM 194 C VAL A 16 -11.689 -2.449 -23.657 1.00 0.00 C ATOM 195 O VAL A 16 -12.902 -2.612 -23.519 1.00 0.00 O ATOM 196 CB VAL A 16 -10.846 -0.344 -22.615 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.271 0.188 -22.600 1.00 0.00 C ATOM 198 CG2 VAL A 16 -10.032 0.258 -21.480 1.00 0.00 C ATOM 0 H VAL A 16 -8.753 -1.702 -22.550 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.268 -2.183 -21.568 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.385 -0.052 -23.558 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.254 1.276 -22.665 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.820 -0.218 -23.450 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.762 -0.112 -21.674 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.046 1.345 -21.559 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.463 -0.042 -20.525 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.003 -0.097 -21.542 1.00 0.00 H new ATOM 208 N VAL A 17 -11.043 -2.749 -24.779 1.00 0.00 N ATOM 209 CA VAL A 17 -11.737 -3.300 -25.937 1.00 0.00 C ATOM 210 C VAL A 17 -12.361 -4.653 -25.612 1.00 0.00 C ATOM 211 O VAL A 17 -13.466 -4.962 -26.057 1.00 0.00 O ATOM 212 CB VAL A 17 -10.785 -3.462 -27.138 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.560 -3.864 -28.383 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.006 -2.177 -27.376 1.00 0.00 C ATOM 0 H VAL A 17 -10.040 -2.620 -24.911 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.524 -2.593 -26.199 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.073 -4.255 -26.911 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.871 -3.974 -29.221 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.069 -4.811 -28.205 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.297 -3.095 -28.617 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.338 -2.309 -28.228 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.701 -1.363 -27.582 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.420 -1.937 -26.489 1.00 0.00 H new ATOM 224 N ASP A 18 -11.645 -5.456 -24.832 1.00 0.00 N ATOM 225 CA ASP A 18 -12.129 -6.776 -24.445 1.00 0.00 C ATOM 226 C ASP A 18 -13.314 -6.662 -23.491 1.00 0.00 C ATOM 227 O ASP A 18 -14.147 -7.565 -23.410 1.00 0.00 O ATOM 228 CB ASP A 18 -11.006 -7.582 -23.789 1.00 0.00 C ATOM 229 CG ASP A 18 -11.294 -9.070 -23.774 1.00 0.00 C ATOM 230 OD1 ASP A 18 -11.904 -9.565 -24.745 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.911 -9.739 -22.792 1.00 0.00 O ATOM 0 H ASP A 18 -10.728 -5.216 -24.456 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.459 -7.294 -25.346 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.073 -7.401 -24.323 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.861 -7.233 -22.767 1.00 0.00 H new ATOM 236 N TRP A 19 -13.382 -5.548 -22.771 1.00 0.00 N ATOM 237 CA TRP A 19 -14.465 -5.317 -21.821 1.00 0.00 C ATOM 238 C TRP A 19 -15.786 -5.088 -22.547 1.00 0.00 C ATOM 239 O TRP A 19 -16.819 -5.634 -22.162 1.00 0.00 O ATOM 240 CB TRP A 19 -14.143 -4.116 -20.931 1.00 0.00 C ATOM 241 CG TRP A 19 -15.273 -3.727 -20.027 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.816 -4.478 -19.024 1.00 0.00 C ATOM 243 CD2 TRP A 19 -15.998 -2.493 -20.045 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.836 -3.785 -18.417 1.00 0.00 N ATOM 245 CE2 TRP A 19 -16.967 -2.564 -19.024 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.923 -1.334 -20.821 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.852 -1.522 -18.764 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.803 -0.300 -20.562 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.756 -0.399 -19.540 1.00 0.00 C ATOM 0 H TRP A 19 -12.701 -4.791 -22.827 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.564 -6.206 -21.198 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.266 -4.346 -20.326 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.882 -3.266 -21.561 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.492 -5.471 -18.748 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.403 -4.125 -17.640 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.190 -1.247 -21.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.588 -1.597 -17.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.755 0.600 -21.158 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.428 0.427 -19.361 1.00 0.00 H new ATOM 260 N MET A 20 -15.745 -4.277 -23.599 1.00 0.00 N ATOM 261 CA MET A 20 -16.940 -3.977 -24.380 1.00 0.00 C ATOM 262 C MET A 20 -17.488 -5.238 -25.040 1.00 0.00 C ATOM 263 O MET A 20 -18.670 -5.310 -25.379 1.00 0.00 O ATOM 264 CB MET A 20 -16.628 -2.924 -25.445 1.00 0.00 C ATOM 265 CG MET A 20 -16.054 -1.637 -24.877 1.00 0.00 C ATOM 266 SD MET A 20 -17.317 -0.382 -24.586 1.00 0.00 S ATOM 267 CE MET A 20 -17.809 -0.002 -26.266 1.00 0.00 C ATOM 0 H MET A 20 -14.898 -3.816 -23.930 1.00 0.00 H new ATOM 0 HA MET A 20 -17.698 -3.584 -23.702 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.921 -3.342 -26.162 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.541 -2.694 -25.995 1.00 0.00 H new ATOM 0 HG2 MET A 20 -15.541 -1.855 -23.940 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.307 -1.242 -25.565 1.00 0.00 H new ATOM 0 HE1 MET A 20 -18.897 0.024 -26.329 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.405 0.969 -26.553 1.00 0.00 H new ATOM 0 HE3 MET A 20 -17.425 -0.768 -26.940 1.00 0.00 H new ATOM 277 N LYS A 21 -16.624 -6.231 -25.219 1.00 0.00 N ATOM 278 CA LYS A 21 -17.021 -7.490 -25.837 1.00 0.00 C ATOM 279 C LYS A 21 -18.008 -8.244 -24.951 1.00 0.00 C ATOM 280 O LYS A 21 -18.655 -9.193 -25.393 1.00 0.00 O ATOM 281 CB LYS A 21 -15.792 -8.361 -26.105 1.00 0.00 C ATOM 282 CG LYS A 21 -14.818 -7.750 -27.097 1.00 0.00 C ATOM 283 CD LYS A 21 -14.075 -8.820 -27.880 1.00 0.00 C ATOM 284 CE LYS A 21 -13.273 -8.217 -29.024 1.00 0.00 C ATOM 285 NZ LYS A 21 -12.477 -9.248 -29.747 1.00 0.00 N ATOM 0 H LYS A 21 -15.643 -6.188 -24.944 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.510 -7.262 -26.784 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.273 -8.542 -25.164 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.119 -9.331 -26.480 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.359 -7.102 -27.787 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.102 -7.123 -26.566 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.406 -9.363 -27.212 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.788 -9.544 -28.276 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.950 -7.725 -29.722 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.604 -7.450 -28.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.945 -8.798 -30.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.813 -9.700 -29.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.117 -9.967 -30.141 1.00 0.00 H new ATOM 299 N GLY A 22 -18.120 -7.814 -23.698 1.00 0.00 N ATOM 300 CA GLY A 22 -19.031 -8.459 -22.771 1.00 0.00 C ATOM 301 C GLY A 22 -20.137 -7.532 -22.305 1.00 0.00 C ATOM 302 O GLY A 22 -20.725 -7.739 -21.243 1.00 0.00 O ATOM 0 H GLY A 22 -17.596 -7.030 -23.308 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.472 -9.334 -23.249 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.472 -8.816 -21.906 1.00 0.00 H new ATOM 306 N LEU A 23 -20.420 -6.506 -23.100 1.00 0.00 N ATOM 307 CA LEU A 23 -21.461 -5.542 -22.763 1.00 0.00 C ATOM 308 C LEU A 23 -22.615 -5.617 -23.758 1.00 0.00 C ATOM 309 O LEU A 23 -22.681 -6.531 -24.580 1.00 0.00 O ATOM 310 CB LEU A 23 -20.885 -4.125 -22.740 1.00 0.00 C ATOM 311 CG LEU A 23 -19.618 -3.930 -21.906 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.196 -2.469 -21.909 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.835 -4.421 -20.482 1.00 0.00 C ATOM 0 H LEU A 23 -19.943 -6.320 -23.982 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.842 -5.789 -21.772 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.671 -3.824 -23.766 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.652 -3.448 -22.363 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.818 -4.519 -22.354 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.293 -2.350 -21.310 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.998 -2.150 -22.932 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.994 -1.859 -21.486 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.923 -4.274 -19.904 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.649 -3.860 -20.024 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.088 -5.481 -20.497 1.00 0.00 H new ATOM 325 N ASP A 24 -23.522 -4.649 -23.678 1.00 0.00 N ATOM 326 CA ASP A 24 -24.672 -4.603 -24.574 1.00 0.00 C ATOM 327 C ASP A 24 -24.231 -4.711 -26.030 1.00 0.00 C ATOM 328 O ASP A 24 -23.143 -4.264 -26.395 1.00 0.00 O ATOM 329 CB ASP A 24 -25.460 -3.310 -24.361 1.00 0.00 C ATOM 330 CG ASP A 24 -26.954 -3.551 -24.270 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.612 -3.607 -25.330 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.465 -3.684 -23.138 1.00 0.00 O ATOM 0 H ASP A 24 -23.483 -3.886 -23.002 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.315 -5.453 -24.344 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.117 -2.825 -23.447 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.255 -2.623 -25.182 1.00 0.00 H new ATOM 337 N ASP A 25 -25.082 -5.307 -26.858 1.00 0.00 N ATOM 338 CA ASP A 25 -24.781 -5.473 -28.275 1.00 0.00 C ATOM 339 C ASP A 25 -24.701 -4.121 -28.976 1.00 0.00 C ATOM 340 O ASP A 25 -24.027 -3.979 -29.997 1.00 0.00 O ATOM 341 CB ASP A 25 -25.842 -6.347 -28.945 1.00 0.00 C ATOM 342 CG ASP A 25 -25.296 -7.695 -29.375 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.967 -8.511 -28.489 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.197 -7.933 -30.597 1.00 0.00 O ATOM 0 H ASP A 25 -25.986 -5.683 -26.572 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.811 -5.964 -28.360 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.672 -6.498 -28.255 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.241 -5.826 -29.815 1.00 0.00 H new ATOM 349 N CYS A 26 -25.394 -3.132 -28.423 1.00 0.00 N ATOM 350 CA CYS A 26 -25.403 -1.791 -28.996 1.00 0.00 C ATOM 351 C CYS A 26 -24.051 -1.110 -28.810 1.00 0.00 C ATOM 352 O CYS A 26 -23.700 -0.188 -29.547 1.00 0.00 O ATOM 353 CB CYS A 26 -26.505 -0.947 -28.355 1.00 0.00 C ATOM 354 SG CYS A 26 -28.055 -0.924 -29.286 1.00 0.00 S ATOM 0 H CYS A 26 -25.957 -3.233 -27.578 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.600 -1.881 -30.064 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.702 -1.327 -27.352 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.146 0.076 -28.243 1.00 0.00 H new ATOM 0 HG CYS A 26 -28.481 0.300 -29.389 1.00 0.00 H new ATOM 360 N LEU A 27 -23.295 -1.569 -27.818 1.00 0.00 N ATOM 361 CA LEU A 27 -21.981 -1.004 -27.532 1.00 0.00 C ATOM 362 C LEU A 27 -20.882 -1.806 -28.222 1.00 0.00 C ATOM 363 O LEU A 27 -19.722 -1.763 -27.815 1.00 0.00 O ATOM 364 CB LEU A 27 -21.735 -0.973 -26.023 1.00 0.00 C ATOM 365 CG LEU A 27 -22.941 -0.617 -25.153 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.637 -0.879 -23.686 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.342 0.835 -25.366 1.00 0.00 C ATOM 0 H LEU A 27 -23.570 -2.331 -27.198 1.00 0.00 H new ATOM 0 HA LEU A 27 -21.959 0.015 -27.918 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.367 -1.952 -25.715 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.941 -0.255 -25.819 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.777 -1.251 -25.448 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.507 -0.620 -23.082 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.400 -1.934 -23.546 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.786 -0.272 -23.377 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.202 1.071 -24.739 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.509 1.485 -25.099 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.603 0.991 -26.413 1.00 0.00 H new ATOM 379 N GLN A 28 -21.256 -2.534 -29.269 1.00 0.00 N ATOM 380 CA GLN A 28 -20.301 -3.344 -30.016 1.00 0.00 C ATOM 381 C GLN A 28 -19.723 -2.560 -31.190 1.00 0.00 C ATOM 382 O GLN A 28 -18.510 -2.538 -31.395 1.00 0.00 O ATOM 383 CB GLN A 28 -20.971 -4.623 -30.522 1.00 0.00 C ATOM 384 CG GLN A 28 -21.488 -5.520 -29.409 1.00 0.00 C ATOM 385 CD GLN A 28 -20.375 -6.079 -28.545 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.353 -6.543 -29.052 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.567 -6.038 -27.232 1.00 0.00 N ATOM 0 H GLN A 28 -22.213 -2.580 -29.619 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.485 -3.611 -29.344 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.801 -4.354 -31.176 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.257 -5.183 -31.126 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.179 -4.955 -28.784 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.053 -6.344 -29.845 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.429 -5.645 -26.855 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.852 -6.400 -26.601 1.00 0.00 H new ATOM 396 N GLN A 29 -20.600 -1.919 -31.956 1.00 0.00 N ATOM 397 CA GLN A 29 -20.176 -1.135 -33.110 1.00 0.00 C ATOM 398 C GLN A 29 -19.158 -0.075 -32.703 1.00 0.00 C ATOM 399 O GLN A 29 -18.339 0.357 -33.515 1.00 0.00 O ATOM 400 CB GLN A 29 -21.384 -0.471 -33.774 1.00 0.00 C ATOM 401 CG GLN A 29 -22.066 0.566 -32.897 1.00 0.00 C ATOM 402 CD GLN A 29 -23.460 0.913 -33.381 1.00 0.00 C ATOM 403 OE1 GLN A 29 -23.700 1.038 -34.582 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.390 1.070 -32.445 1.00 0.00 N ATOM 0 H GLN A 29 -21.608 -1.927 -31.798 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.704 -1.811 -33.823 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.063 0.004 -34.701 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.108 -1.240 -34.044 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.123 0.191 -31.875 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.459 1.471 -32.871 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.147 0.957 -31.461 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.347 1.303 -32.711 1.00 0.00 H new ATOM 413 N TYR A 30 -19.215 0.340 -31.443 1.00 0.00 N ATOM 414 CA TYR A 30 -18.300 1.352 -30.929 1.00 0.00 C ATOM 415 C TYR A 30 -16.917 0.757 -30.675 1.00 0.00 C ATOM 416 O TYR A 30 -15.910 1.466 -30.704 1.00 0.00 O ATOM 417 CB TYR A 30 -18.850 1.959 -29.638 1.00 0.00 C ATOM 418 CG TYR A 30 -20.228 2.562 -29.792 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.551 3.333 -30.902 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.209 2.359 -28.828 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.808 3.887 -31.047 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.469 2.908 -28.965 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.764 3.671 -30.076 1.00 0.00 C ATOM 424 OH TYR A 30 -24.018 4.219 -30.217 1.00 0.00 O ATOM 0 H TYR A 30 -19.886 -0.009 -30.758 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.207 2.136 -31.680 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.884 1.187 -28.869 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.163 2.729 -29.287 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.806 3.502 -31.665 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -20.982 1.762 -27.957 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -22.041 4.486 -31.915 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.219 2.741 -28.206 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.235 4.298 -31.169 1.00 0.00 H new ATOM 434 N ILE A 31 -16.878 -0.547 -30.428 1.00 0.00 N ATOM 435 CA ILE A 31 -15.620 -1.238 -30.171 1.00 0.00 C ATOM 436 C ILE A 31 -14.598 -0.944 -31.263 1.00 0.00 C ATOM 437 O ILE A 31 -13.438 -0.646 -30.980 1.00 0.00 O ATOM 438 CB ILE A 31 -15.825 -2.761 -30.072 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.850 -3.091 -28.984 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.501 -3.456 -29.787 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.134 -4.570 -28.850 1.00 0.00 C ATOM 0 H ILE A 31 -17.702 -1.147 -30.400 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.245 -0.867 -29.217 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.207 -3.124 -31.026 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.489 -2.711 -28.029 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.781 -2.569 -29.203 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.662 -4.532 -29.720 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.798 -3.244 -30.592 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.094 -3.090 -28.844 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.869 -4.729 -28.061 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.525 -4.952 -29.793 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.213 -5.096 -28.600 1.00 0.00 H new ATOM 453 N LYS A 32 -15.038 -1.027 -32.515 1.00 0.00 N ATOM 454 CA LYS A 32 -14.163 -0.766 -33.652 1.00 0.00 C ATOM 455 C LYS A 32 -13.529 0.617 -33.545 1.00 0.00 C ATOM 456 O LYS A 32 -12.436 0.850 -34.058 1.00 0.00 O ATOM 457 CB LYS A 32 -14.947 -0.880 -34.961 1.00 0.00 C ATOM 458 CG LYS A 32 -15.504 -2.269 -35.218 1.00 0.00 C ATOM 459 CD LYS A 32 -14.402 -3.258 -35.557 1.00 0.00 C ATOM 460 CE LYS A 32 -14.603 -4.585 -34.841 1.00 0.00 C ATOM 461 NZ LYS A 32 -15.844 -5.275 -35.291 1.00 0.00 N ATOM 0 H LYS A 32 -15.995 -1.273 -32.767 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.368 -1.512 -33.646 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.770 -0.165 -34.945 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.297 -0.600 -35.790 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.045 -2.614 -34.337 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.222 -2.228 -36.037 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.380 -3.424 -36.634 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.436 -2.837 -35.280 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.743 -5.230 -35.022 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.652 -4.414 -33.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.937 -6.183 -34.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.669 -4.678 -35.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.794 -5.446 -36.316 1.00 0.00 H new ATOM 475 N ASN A 33 -14.223 1.531 -32.874 1.00 0.00 N ATOM 476 CA ASN A 33 -13.726 2.891 -32.699 1.00 0.00 C ATOM 477 C ASN A 33 -12.814 2.985 -31.479 1.00 0.00 C ATOM 478 O ASN A 33 -11.899 3.807 -31.437 1.00 0.00 O ATOM 479 CB ASN A 33 -14.895 3.868 -32.552 1.00 0.00 C ATOM 480 CG ASN A 33 -15.599 4.129 -33.870 1.00 0.00 C ATOM 481 OD1 ASN A 33 -14.961 4.228 -34.918 1.00 0.00 O ATOM 482 ND2 ASN A 33 -16.921 4.242 -33.821 1.00 0.00 N ATOM 0 H ASN A 33 -15.130 1.355 -32.443 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.148 3.156 -33.584 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.611 3.468 -31.834 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.528 4.811 -32.146 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.450 4.418 -34.675 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.408 4.153 -32.929 1.00 0.00 H new ATOM 489 N PHE A 34 -13.070 2.136 -30.489 1.00 0.00 N ATOM 490 CA PHE A 34 -12.273 2.123 -29.268 1.00 0.00 C ATOM 491 C PHE A 34 -10.896 1.517 -29.524 1.00 0.00 C ATOM 492 O PHE A 34 -9.930 1.832 -28.830 1.00 0.00 O ATOM 493 CB PHE A 34 -12.993 1.335 -28.172 1.00 0.00 C ATOM 494 CG PHE A 34 -13.926 2.173 -27.345 1.00 0.00 C ATOM 495 CD1 PHE A 34 -14.935 2.909 -27.947 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.794 2.225 -25.967 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.793 3.681 -27.188 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.650 2.996 -25.203 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.652 3.724 -25.815 1.00 0.00 C ATOM 0 H PHE A 34 -13.823 1.448 -30.508 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.142 3.154 -28.939 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.557 0.523 -28.631 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.251 0.878 -27.517 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.051 2.878 -29.020 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -13.013 1.656 -25.484 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.574 4.251 -27.669 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.536 3.029 -24.130 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.324 4.326 -25.221 1.00 0.00 H new ATOM 509 N GLU A 35 -10.816 0.647 -30.526 1.00 0.00 N ATOM 510 CA GLU A 35 -9.558 -0.003 -30.873 1.00 0.00 C ATOM 511 C GLU A 35 -8.586 0.992 -31.501 1.00 0.00 C ATOM 512 O GLU A 35 -7.400 1.011 -31.170 1.00 0.00 O ATOM 513 CB GLU A 35 -9.808 -1.166 -31.836 1.00 0.00 C ATOM 514 CG GLU A 35 -9.356 -2.512 -31.294 1.00 0.00 C ATOM 515 CD GLU A 35 -7.851 -2.598 -31.126 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.345 -2.139 -30.081 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.181 -3.124 -32.039 1.00 0.00 O ATOM 0 H GLU A 35 -11.607 0.376 -31.111 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.113 -0.389 -29.956 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.873 -1.215 -32.065 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.289 -0.968 -32.774 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.836 -2.692 -30.332 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.688 -3.301 -31.969 1.00 0.00 H new ATOM 524 N ARG A 36 -9.097 1.815 -32.410 1.00 0.00 N ATOM 525 CA ARG A 36 -8.275 2.812 -33.087 1.00 0.00 C ATOM 526 C ARG A 36 -7.974 3.987 -32.161 1.00 0.00 C ATOM 527 O ARG A 36 -6.845 4.472 -32.107 1.00 0.00 O ATOM 528 CB ARG A 36 -8.978 3.310 -34.351 1.00 0.00 C ATOM 529 CG ARG A 36 -8.053 4.035 -35.316 1.00 0.00 C ATOM 530 CD ARG A 36 -8.836 4.871 -36.316 1.00 0.00 C ATOM 531 NE ARG A 36 -8.714 6.301 -36.048 1.00 0.00 N ATOM 532 CZ ARG A 36 -9.052 7.244 -36.921 1.00 0.00 C ATOM 533 NH1 ARG A 36 -9.531 6.909 -38.111 1.00 0.00 N ATOM 534 NH2 ARG A 36 -8.912 8.525 -36.604 1.00 0.00 N ATOM 0 H ARG A 36 -10.076 1.812 -32.695 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.332 2.342 -33.366 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.431 2.461 -34.863 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.789 3.980 -34.066 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.373 4.677 -34.757 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.439 3.309 -35.849 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.479 4.659 -37.324 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.887 4.585 -36.284 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.349 6.592 -35.141 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.641 5.926 -38.358 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.790 7.635 -38.779 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.545 8.787 -35.689 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.172 9.248 -37.275 1.00 0.00 H new ATOM 548 N GLU A 37 -8.993 4.439 -31.437 1.00 0.00 N ATOM 549 CA GLU A 37 -8.837 5.559 -30.516 1.00 0.00 C ATOM 550 C GLU A 37 -7.911 5.188 -29.361 1.00 0.00 C ATOM 551 O GLU A 37 -7.340 6.058 -28.704 1.00 0.00 O ATOM 552 CB GLU A 37 -10.199 5.994 -29.972 1.00 0.00 C ATOM 553 CG GLU A 37 -10.925 6.984 -30.868 1.00 0.00 C ATOM 554 CD GLU A 37 -10.829 8.409 -30.361 1.00 0.00 C ATOM 555 OE1 GLU A 37 -11.677 8.803 -29.533 1.00 0.00 O ATOM 556 OE2 GLU A 37 -9.906 9.131 -30.792 1.00 0.00 O ATOM 0 H GLU A 37 -9.934 4.047 -31.470 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.391 6.388 -31.065 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.825 5.112 -29.837 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.062 6.441 -28.987 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.508 6.931 -31.874 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.974 6.699 -30.943 1.00 0.00 H new ATOM 563 N LYS A 38 -7.768 3.889 -29.119 1.00 0.00 N ATOM 564 CA LYS A 38 -6.911 3.401 -28.045 1.00 0.00 C ATOM 565 C LYS A 38 -7.365 3.948 -26.695 1.00 0.00 C ATOM 566 O LYS A 38 -6.547 4.386 -25.886 1.00 0.00 O ATOM 567 CB LYS A 38 -5.456 3.796 -28.305 1.00 0.00 C ATOM 568 CG LYS A 38 -4.926 3.317 -29.645 1.00 0.00 C ATOM 569 CD LYS A 38 -3.924 2.187 -29.476 1.00 0.00 C ATOM 570 CE LYS A 38 -3.740 1.408 -30.769 1.00 0.00 C ATOM 571 NZ LYS A 38 -2.304 1.290 -31.146 1.00 0.00 N ATOM 0 H LYS A 38 -8.235 3.155 -29.652 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.986 2.314 -28.020 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.369 4.881 -28.256 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.830 3.390 -27.510 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.756 2.979 -30.266 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.454 4.148 -30.169 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.965 2.594 -29.156 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.263 1.513 -28.689 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.169 0.412 -30.657 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.287 1.902 -31.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.221 0.753 -32.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.900 2.239 -31.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.787 0.795 -30.392 1.00 0.00 H new ATOM 585 N ILE A 39 -8.672 3.919 -26.460 1.00 0.00 N ATOM 586 CA ILE A 39 -9.233 4.410 -25.207 1.00 0.00 C ATOM 587 C ILE A 39 -8.631 3.681 -24.011 1.00 0.00 C ATOM 588 O ILE A 39 -8.900 2.500 -23.792 1.00 0.00 O ATOM 589 CB ILE A 39 -10.765 4.249 -25.174 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.401 4.969 -26.365 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.325 4.782 -23.864 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.153 6.462 -26.371 1.00 0.00 C ATOM 0 H ILE A 39 -9.362 3.561 -27.120 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.986 5.470 -25.145 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.006 3.188 -25.244 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.012 4.540 -27.289 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.476 4.787 -26.357 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.408 4.661 -23.856 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.892 4.228 -23.031 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.077 5.839 -23.765 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.632 6.907 -27.243 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.567 6.903 -25.464 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.080 6.653 -26.410 1.00 0.00 H new ATOM 604 N SER A 40 -7.815 4.393 -23.240 1.00 0.00 N ATOM 605 CA SER A 40 -7.172 3.812 -22.067 1.00 0.00 C ATOM 606 C SER A 40 -8.096 3.874 -20.855 1.00 0.00 C ATOM 607 O SER A 40 -9.038 4.665 -20.818 1.00 0.00 O ATOM 608 CB SER A 40 -5.863 4.543 -21.762 1.00 0.00 C ATOM 609 OG SER A 40 -5.714 5.686 -22.587 1.00 0.00 O ATOM 0 H SER A 40 -7.584 5.372 -23.406 1.00 0.00 H new ATOM 0 HA SER A 40 -6.954 2.766 -22.283 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.845 4.842 -20.714 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.021 3.868 -21.915 1.00 0.00 H new ATOM 0 HG SER A 40 -5.774 6.496 -22.038 1.00 0.00 H new ATOM 615 N GLY A 41 -7.819 3.033 -19.863 1.00 0.00 N ATOM 616 CA GLY A 41 -8.633 3.007 -18.662 1.00 0.00 C ATOM 617 C GLY A 41 -8.748 4.371 -18.010 1.00 0.00 C ATOM 618 O GLY A 41 -9.834 4.779 -17.597 1.00 0.00 O ATOM 0 H GLY A 41 -7.045 2.369 -19.870 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.629 2.641 -18.910 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.203 2.303 -17.950 1.00 0.00 H new ATOM 622 N ASP A 42 -7.627 5.076 -17.915 1.00 0.00 N ATOM 623 CA ASP A 42 -7.606 6.401 -17.308 1.00 0.00 C ATOM 624 C ASP A 42 -8.667 7.302 -17.932 1.00 0.00 C ATOM 625 O ASP A 42 -9.258 8.141 -17.253 1.00 0.00 O ATOM 626 CB ASP A 42 -6.223 7.036 -17.466 1.00 0.00 C ATOM 627 CG ASP A 42 -6.041 7.698 -18.818 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.076 6.981 -19.840 1.00 0.00 O ATOM 629 OD2 ASP A 42 -5.865 8.934 -18.854 1.00 0.00 O ATOM 0 H ASP A 42 -6.720 4.752 -18.251 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.828 6.291 -16.247 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.074 7.776 -16.679 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.458 6.271 -17.333 1.00 0.00 H new ATOM 634 N GLN A 43 -8.902 7.121 -19.228 1.00 0.00 N ATOM 635 CA GLN A 43 -9.891 7.919 -19.943 1.00 0.00 C ATOM 636 C GLN A 43 -11.292 7.350 -19.750 1.00 0.00 C ATOM 637 O GLN A 43 -12.276 8.090 -19.720 1.00 0.00 O ATOM 638 CB GLN A 43 -9.551 7.975 -21.433 1.00 0.00 C ATOM 639 CG GLN A 43 -8.486 9.004 -21.776 1.00 0.00 C ATOM 640 CD GLN A 43 -8.407 9.289 -23.263 1.00 0.00 C ATOM 641 OE1 GLN A 43 -8.879 10.324 -23.734 1.00 0.00 O ATOM 642 NE2 GLN A 43 -7.808 8.370 -24.011 1.00 0.00 N ATOM 0 H GLN A 43 -8.421 6.429 -19.804 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.870 8.929 -19.535 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.211 6.991 -21.757 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.457 8.201 -21.996 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.697 9.931 -21.243 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.517 8.649 -21.426 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -7.431 7.527 -23.578 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -7.725 8.507 -25.018 1.00 0.00 H new ATOM 651 N LEU A 44 -11.377 6.031 -19.619 1.00 0.00 N ATOM 652 CA LEU A 44 -12.659 5.361 -19.429 1.00 0.00 C ATOM 653 C LEU A 44 -13.267 5.723 -18.078 1.00 0.00 C ATOM 654 O LEU A 44 -14.428 6.127 -17.997 1.00 0.00 O ATOM 655 CB LEU A 44 -12.485 3.845 -19.533 1.00 0.00 C ATOM 656 CG LEU A 44 -13.713 3.003 -19.185 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.735 3.059 -20.309 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.309 1.563 -18.900 1.00 0.00 C ATOM 0 H LEU A 44 -10.573 5.404 -19.641 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.337 5.697 -20.214 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.180 3.603 -20.551 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.667 3.547 -18.877 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.170 3.416 -18.286 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.602 2.454 -20.043 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -15.047 4.091 -20.466 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.290 2.672 -21.225 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.195 0.978 -18.654 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.827 1.139 -19.781 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.614 1.539 -18.060 1.00 0.00 H new ATOM 670 N LEU A 45 -12.477 5.578 -17.021 1.00 0.00 N ATOM 671 CA LEU A 45 -12.937 5.892 -15.673 1.00 0.00 C ATOM 672 C LEU A 45 -13.460 7.323 -15.596 1.00 0.00 C ATOM 673 O LEU A 45 -14.321 7.636 -14.773 1.00 0.00 O ATOM 674 CB LEU A 45 -11.801 5.698 -14.667 1.00 0.00 C ATOM 675 CG LEU A 45 -12.135 4.866 -13.429 1.00 0.00 C ATOM 676 CD1 LEU A 45 -12.372 3.413 -13.810 1.00 0.00 C ATOM 677 CD2 LEU A 45 -11.022 4.974 -12.397 1.00 0.00 C ATOM 0 H LEU A 45 -11.514 5.245 -17.071 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.753 5.212 -15.426 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.964 5.227 -15.182 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.461 6.680 -14.339 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.051 5.259 -12.988 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.608 2.836 -12.916 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.204 3.352 -14.512 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.474 3.008 -14.276 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.277 4.375 -11.523 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.090 4.608 -12.828 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.901 6.016 -12.100 1.00 0.00 H new ATOM 689 N ARG A 46 -12.937 8.186 -16.460 1.00 0.00 N ATOM 690 CA ARG A 46 -13.353 9.584 -16.490 1.00 0.00 C ATOM 691 C ARG A 46 -14.005 9.928 -17.826 1.00 0.00 C ATOM 692 O ARG A 46 -13.982 11.080 -18.260 1.00 0.00 O ATOM 693 CB ARG A 46 -12.152 10.500 -16.245 1.00 0.00 C ATOM 694 CG ARG A 46 -11.185 10.562 -17.415 1.00 0.00 C ATOM 695 CD ARG A 46 -9.863 11.198 -17.013 1.00 0.00 C ATOM 696 NE ARG A 46 -9.807 12.614 -17.365 1.00 0.00 N ATOM 697 CZ ARG A 46 -8.849 13.436 -16.952 1.00 0.00 C ATOM 698 NH1 ARG A 46 -7.872 12.986 -16.177 1.00 0.00 N ATOM 699 NH2 ARG A 46 -8.866 14.712 -17.315 1.00 0.00 N ATOM 0 H ARG A 46 -12.225 7.943 -17.148 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.086 9.737 -15.698 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.511 11.506 -16.028 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.617 10.155 -15.360 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.006 9.556 -17.794 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.632 11.133 -18.228 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.719 11.086 -15.938 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.044 10.670 -17.501 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.544 12.992 -17.960 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.854 12.006 -15.896 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.138 13.620 -15.862 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.615 15.063 -17.912 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.130 15.342 -16.997 1.00 0.00 H new ATOM 713 N ILE A 47 -14.585 8.922 -18.471 1.00 0.00 N ATOM 714 CA ILE A 47 -15.244 9.119 -19.757 1.00 0.00 C ATOM 715 C ILE A 47 -16.486 9.991 -19.610 1.00 0.00 C ATOM 716 O ILE A 47 -17.299 9.788 -18.708 1.00 0.00 O ATOM 717 CB ILE A 47 -15.646 7.776 -20.395 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.170 7.998 -21.815 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.694 7.077 -19.541 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.344 7.308 -22.878 1.00 0.00 C ATOM 0 H ILE A 47 -14.612 7.963 -18.125 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.526 9.620 -20.406 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.764 7.137 -20.449 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.198 7.639 -21.875 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.193 9.068 -22.022 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.968 6.129 -20.005 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.288 6.890 -18.547 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.578 7.710 -19.459 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.773 7.509 -23.860 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.321 7.684 -22.845 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.341 6.233 -22.696 1.00 0.00 H new ATOM 732 N THR A 48 -16.628 10.965 -20.505 1.00 0.00 N ATOM 733 CA THR A 48 -17.771 11.868 -20.476 1.00 0.00 C ATOM 734 C THR A 48 -18.516 11.855 -21.806 1.00 0.00 C ATOM 735 O THR A 48 -18.010 11.347 -22.808 1.00 0.00 O ATOM 736 CB THR A 48 -17.338 13.312 -20.158 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.490 14.152 -20.029 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.426 13.856 -21.248 1.00 0.00 C ATOM 0 H THR A 48 -15.965 11.148 -21.258 1.00 0.00 H new ATOM 0 HA THR A 48 -18.434 11.513 -19.687 1.00 0.00 H new ATOM 0 HB THR A 48 -16.788 13.304 -19.217 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.206 15.068 -19.825 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.133 14.877 -21.002 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.536 13.231 -21.323 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.955 13.850 -22.201 1.00 0.00 H new ATOM 746 N HIS A 49 -19.721 12.416 -21.810 1.00 0.00 N ATOM 747 CA HIS A 49 -20.535 12.470 -23.019 1.00 0.00 C ATOM 748 C HIS A 49 -19.754 13.092 -24.173 1.00 0.00 C ATOM 749 O HIS A 49 -19.937 12.717 -25.331 1.00 0.00 O ATOM 750 CB HIS A 49 -21.813 13.269 -22.763 1.00 0.00 C ATOM 751 CG HIS A 49 -22.897 12.472 -22.106 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.489 11.311 -22.474 1.00 0.00 N flip ATOM 753 CD2 HIS A 49 -23.499 12.850 -20.925 1.00 0.00 C flip ATOM 754 CE1 HIS A 49 -24.427 11.011 -21.517 1.00 0.00 C flip ATOM 755 NE2 HIS A 49 -24.413 11.955 -20.593 1.00 0.00 N flip ATOM 0 H HIS A 49 -20.155 12.839 -20.990 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.802 11.450 -23.293 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.575 14.128 -22.136 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.184 13.659 -23.711 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -23.261 13.739 -20.359 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.071 10.144 -21.519 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -25.007 11.988 -19.764 1.00 0.00 H new ATOM 763 N GLN A 50 -18.885 14.043 -23.848 1.00 0.00 N ATOM 764 CA GLN A 50 -18.078 14.718 -24.858 1.00 0.00 C ATOM 765 C GLN A 50 -17.158 13.730 -25.568 1.00 0.00 C ATOM 766 O GLN A 50 -17.039 13.749 -26.793 1.00 0.00 O ATOM 767 CB GLN A 50 -17.252 15.835 -24.219 1.00 0.00 C ATOM 768 CG GLN A 50 -17.202 17.107 -25.050 1.00 0.00 C ATOM 769 CD GLN A 50 -18.259 18.113 -24.641 1.00 0.00 C ATOM 770 OE1 GLN A 50 -19.448 17.799 -24.597 1.00 0.00 O ATOM 771 NE2 GLN A 50 -17.829 19.332 -24.337 1.00 0.00 N ATOM 0 H GLN A 50 -18.721 14.364 -22.894 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.753 15.153 -25.596 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.668 16.068 -23.239 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.235 15.477 -24.057 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.216 17.562 -24.952 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -17.334 16.855 -26.102 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.834 19.549 -24.387 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -18.494 20.051 -24.053 1.00 0.00 H new ATOM 780 N GLU A 51 -16.509 12.869 -24.790 1.00 0.00 N ATOM 781 CA GLU A 51 -15.598 11.875 -25.346 1.00 0.00 C ATOM 782 C GLU A 51 -16.360 10.836 -26.163 1.00 0.00 C ATOM 783 O GLU A 51 -15.978 10.512 -27.288 1.00 0.00 O ATOM 784 CB GLU A 51 -14.816 11.186 -24.226 1.00 0.00 C ATOM 785 CG GLU A 51 -13.612 11.979 -23.748 1.00 0.00 C ATOM 786 CD GLU A 51 -12.398 11.790 -24.636 1.00 0.00 C ATOM 787 OE1 GLU A 51 -11.940 10.637 -24.779 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.905 12.796 -25.189 1.00 0.00 O ATOM 0 H GLU A 51 -16.597 12.840 -23.774 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.898 12.388 -26.006 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.484 11.011 -23.382 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.482 10.209 -24.575 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.870 13.037 -23.712 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.364 11.677 -22.731 1.00 0.00 H new ATOM 795 N LEU A 52 -17.440 10.316 -25.589 1.00 0.00 N ATOM 796 CA LEU A 52 -18.257 9.313 -26.262 1.00 0.00 C ATOM 797 C LEU A 52 -18.667 9.788 -27.652 1.00 0.00 C ATOM 798 O LEU A 52 -18.579 9.040 -28.625 1.00 0.00 O ATOM 799 CB LEU A 52 -19.501 8.997 -25.431 1.00 0.00 C ATOM 800 CG LEU A 52 -19.297 8.045 -24.252 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.329 8.310 -23.167 1.00 0.00 C ATOM 802 CD2 LEU A 52 -19.368 6.598 -24.716 1.00 0.00 C ATOM 0 H LEU A 52 -17.770 10.573 -24.659 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.660 8.407 -26.369 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.906 9.934 -25.049 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.255 8.569 -26.091 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.306 8.223 -23.834 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.168 7.623 -22.336 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.230 9.336 -22.814 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.330 8.161 -23.572 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -19.221 5.935 -23.864 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.345 6.406 -25.161 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -18.590 6.415 -25.457 1.00 0.00 H new ATOM 814 N GLU A 53 -19.114 11.037 -27.737 1.00 0.00 N ATOM 815 CA GLU A 53 -19.536 11.612 -29.009 1.00 0.00 C ATOM 816 C GLU A 53 -18.437 11.478 -30.058 1.00 0.00 C ATOM 817 O GLU A 53 -18.698 11.097 -31.200 1.00 0.00 O ATOM 818 CB GLU A 53 -19.907 13.086 -28.829 1.00 0.00 C ATOM 819 CG GLU A 53 -21.242 13.458 -29.453 1.00 0.00 C ATOM 820 CD GLU A 53 -21.641 14.892 -29.165 1.00 0.00 C ATOM 821 OE1 GLU A 53 -21.046 15.807 -29.774 1.00 0.00 O ATOM 822 OE2 GLU A 53 -22.547 15.101 -28.332 1.00 0.00 O ATOM 0 H GLU A 53 -19.193 11.670 -26.941 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.412 11.063 -29.354 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -19.936 13.317 -27.764 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -19.125 13.705 -29.268 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.189 13.309 -30.531 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.014 12.787 -29.076 1.00 0.00 H new ATOM 829 N ASP A 54 -17.208 11.792 -29.664 1.00 0.00 N ATOM 830 CA ASP A 54 -16.069 11.706 -30.569 1.00 0.00 C ATOM 831 C ASP A 54 -15.884 10.279 -31.076 1.00 0.00 C ATOM 832 O ASP A 54 -15.638 10.058 -32.263 1.00 0.00 O ATOM 833 CB ASP A 54 -14.795 12.180 -29.867 1.00 0.00 C ATOM 834 CG ASP A 54 -13.815 12.830 -30.824 1.00 0.00 C ATOM 835 OD1 ASP A 54 -13.046 12.094 -31.476 1.00 0.00 O ATOM 836 OD2 ASP A 54 -13.815 14.076 -30.919 1.00 0.00 O ATOM 0 H ASP A 54 -16.975 12.109 -28.723 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.266 12.353 -31.423 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.058 12.890 -29.083 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.315 11.331 -29.380 1.00 0.00 H new ATOM 841 N LEU A 55 -16.003 9.315 -30.170 1.00 0.00 N ATOM 842 CA LEU A 55 -15.849 7.909 -30.525 1.00 0.00 C ATOM 843 C LEU A 55 -16.888 7.491 -31.560 1.00 0.00 C ATOM 844 O LEU A 55 -16.655 6.583 -32.357 1.00 0.00 O ATOM 845 CB LEU A 55 -15.972 7.031 -29.278 1.00 0.00 C ATOM 846 CG LEU A 55 -14.760 7.017 -28.345 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.199 6.811 -26.904 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.776 5.934 -28.765 1.00 0.00 C ATOM 0 H LEU A 55 -16.206 9.481 -29.184 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.858 7.776 -30.959 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.840 7.363 -28.708 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.172 6.008 -29.597 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.259 7.982 -28.416 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.324 6.804 -26.254 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.865 7.622 -26.607 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.724 5.860 -26.816 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.920 5.939 -28.090 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.266 4.961 -28.723 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.437 6.126 -29.783 1.00 0.00 H new ATOM 860 N GLY A 56 -18.037 8.160 -31.541 1.00 0.00 N ATOM 861 CA GLY A 56 -19.095 7.845 -32.484 1.00 0.00 C ATOM 862 C GLY A 56 -20.442 7.682 -31.809 1.00 0.00 C ATOM 863 O GLY A 56 -21.484 7.770 -32.459 1.00 0.00 O ATOM 0 H GLY A 56 -18.254 8.914 -30.890 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.160 8.636 -33.231 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.844 6.926 -33.014 1.00 0.00 H new ATOM 867 N VAL A 57 -20.423 7.443 -30.502 1.00 0.00 N ATOM 868 CA VAL A 57 -21.653 7.267 -29.739 1.00 0.00 C ATOM 869 C VAL A 57 -22.500 8.535 -29.761 1.00 0.00 C ATOM 870 O VAL A 57 -22.312 9.434 -28.942 1.00 0.00 O ATOM 871 CB VAL A 57 -21.356 6.887 -28.276 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.641 6.519 -27.549 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.354 5.745 -28.216 1.00 0.00 C ATOM 0 H VAL A 57 -19.569 7.367 -29.949 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.206 6.456 -30.213 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.918 7.751 -27.776 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.412 6.253 -26.517 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.323 7.369 -27.562 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.110 5.670 -28.046 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.156 5.489 -27.175 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.762 4.876 -28.732 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.425 6.050 -28.698 1.00 0.00 H new ATOM 883 N SER A 58 -23.433 8.599 -30.705 1.00 0.00 N ATOM 884 CA SER A 58 -24.308 9.759 -30.837 1.00 0.00 C ATOM 885 C SER A 58 -25.572 9.583 -30.001 1.00 0.00 C ATOM 886 O SER A 58 -26.003 10.504 -29.307 1.00 0.00 O ATOM 887 CB SER A 58 -24.681 9.979 -32.305 1.00 0.00 C ATOM 888 OG SER A 58 -24.934 8.747 -32.957 1.00 0.00 O ATOM 0 H SER A 58 -23.603 7.862 -31.390 1.00 0.00 H new ATOM 0 HA SER A 58 -23.769 10.633 -30.471 1.00 0.00 H new ATOM 0 HB2 SER A 58 -25.564 10.615 -32.368 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.873 10.504 -32.814 1.00 0.00 H new ATOM 0 HG SER A 58 -25.172 8.915 -33.893 1.00 0.00 H new ATOM 894 N ARG A 59 -26.161 8.394 -30.073 1.00 0.00 N ATOM 895 CA ARG A 59 -27.377 8.097 -29.324 1.00 0.00 C ATOM 896 C ARG A 59 -27.202 8.438 -27.847 1.00 0.00 C ATOM 897 O ARG A 59 -26.087 8.684 -27.384 1.00 0.00 O ATOM 898 CB ARG A 59 -27.748 6.621 -29.478 1.00 0.00 C ATOM 899 CG ARG A 59 -29.059 6.397 -30.214 1.00 0.00 C ATOM 900 CD ARG A 59 -28.840 6.257 -31.712 1.00 0.00 C ATOM 901 NE ARG A 59 -30.028 5.749 -32.393 1.00 0.00 N ATOM 902 CZ ARG A 59 -31.072 6.506 -32.712 1.00 0.00 C ATOM 903 NH1 ARG A 59 -31.075 7.797 -32.413 1.00 0.00 N ATOM 904 NH2 ARG A 59 -32.116 5.971 -33.332 1.00 0.00 N ATOM 0 H ARG A 59 -25.816 7.621 -30.642 1.00 0.00 H new ATOM 0 HA ARG A 59 -28.182 8.711 -29.728 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.949 6.108 -30.013 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.814 6.166 -28.490 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -29.544 5.499 -29.831 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -29.733 7.231 -30.020 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -28.568 7.226 -32.131 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -28.002 5.585 -31.895 1.00 0.00 H new ATOM 0 HE ARG A 59 -30.058 4.759 -32.637 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -30.274 8.212 -31.937 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -31.878 8.376 -32.659 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -32.117 4.978 -33.564 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -32.917 6.553 -33.577 1.00 0.00 H new ATOM 918 N ILE A 60 -28.309 8.449 -27.112 1.00 0.00 N ATOM 919 CA ILE A 60 -28.277 8.758 -25.688 1.00 0.00 C ATOM 920 C ILE A 60 -28.337 7.487 -24.848 1.00 0.00 C ATOM 921 O ILE A 60 -27.520 7.284 -23.951 1.00 0.00 O ATOM 922 CB ILE A 60 -29.443 9.681 -25.287 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.396 10.980 -26.095 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.395 9.977 -23.795 1.00 0.00 C ATOM 925 CD1 ILE A 60 -28.107 11.752 -25.922 1.00 0.00 C ATOM 0 H ILE A 60 -29.239 8.247 -27.479 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.335 9.272 -25.497 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.382 9.172 -25.507 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.532 10.747 -27.151 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -30.232 11.613 -25.799 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -30.225 10.630 -23.527 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.472 9.044 -23.236 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.453 10.469 -23.552 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -28.144 12.661 -26.523 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -27.979 12.016 -24.872 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.268 11.136 -26.246 1.00 0.00 H new ATOM 937 N GLY A 61 -29.311 6.632 -25.147 1.00 0.00 N ATOM 938 CA GLY A 61 -29.459 5.390 -24.411 1.00 0.00 C ATOM 939 C GLY A 61 -28.191 4.559 -24.416 1.00 0.00 C ATOM 940 O GLY A 61 -27.964 3.755 -23.512 1.00 0.00 O ATOM 0 H GLY A 61 -30.000 6.777 -25.885 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.740 5.612 -23.382 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.273 4.809 -24.845 1.00 0.00 H new ATOM 944 N HIS A 62 -27.363 4.752 -25.438 1.00 0.00 N ATOM 945 CA HIS A 62 -26.111 4.012 -25.557 1.00 0.00 C ATOM 946 C HIS A 62 -25.039 4.610 -24.651 1.00 0.00 C ATOM 947 O HIS A 62 -24.349 3.889 -23.932 1.00 0.00 O ATOM 948 CB HIS A 62 -25.629 4.014 -27.008 1.00 0.00 C ATOM 949 CG HIS A 62 -26.620 3.432 -27.969 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.630 3.734 -29.314 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.635 2.559 -27.773 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.611 3.074 -29.904 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.236 2.353 -28.990 1.00 0.00 N ATOM 0 H HIS A 62 -27.536 5.414 -26.195 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.294 2.984 -25.245 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.404 5.038 -27.306 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.698 3.451 -27.074 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -25.981 4.368 -29.781 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.919 2.108 -26.834 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -27.860 3.117 -30.954 1.00 0.00 H new ATOM 961 N GLN A 63 -24.905 5.932 -24.694 1.00 0.00 N ATOM 962 CA GLN A 63 -23.915 6.626 -23.878 1.00 0.00 C ATOM 963 C GLN A 63 -24.037 6.220 -22.413 1.00 0.00 C ATOM 964 O GLN A 63 -23.034 5.997 -21.736 1.00 0.00 O ATOM 965 CB GLN A 63 -24.080 8.140 -24.016 1.00 0.00 C ATOM 966 CG GLN A 63 -23.758 8.663 -25.407 1.00 0.00 C ATOM 967 CD GLN A 63 -24.190 10.103 -25.603 1.00 0.00 C ATOM 968 OE1 GLN A 63 -25.085 10.594 -24.915 1.00 0.00 O ATOM 969 NE2 GLN A 63 -23.555 10.788 -26.547 1.00 0.00 N ATOM 0 H GLN A 63 -25.469 6.543 -25.285 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.924 6.342 -24.233 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.106 8.410 -23.764 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.433 8.635 -23.292 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.685 8.582 -25.582 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -24.250 8.036 -26.150 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -22.819 10.341 -27.094 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.803 11.761 -26.725 1.00 0.00 H new ATOM 978 N GLU A 64 -25.272 6.128 -21.930 1.00 0.00 N ATOM 979 CA GLU A 64 -25.524 5.750 -20.544 1.00 0.00 C ATOM 980 C GLU A 64 -25.316 4.252 -20.342 1.00 0.00 C ATOM 981 O GLU A 64 -24.899 3.811 -19.270 1.00 0.00 O ATOM 982 CB GLU A 64 -26.947 6.138 -20.137 1.00 0.00 C ATOM 983 CG GLU A 64 -27.045 7.518 -19.508 1.00 0.00 C ATOM 984 CD GLU A 64 -27.133 7.464 -17.995 1.00 0.00 C ATOM 985 OE1 GLU A 64 -28.128 6.917 -17.477 1.00 0.00 O ATOM 986 OE2 GLU A 64 -26.205 7.970 -17.330 1.00 0.00 O ATOM 0 H GLU A 64 -26.113 6.310 -22.477 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.815 6.286 -19.913 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.590 6.102 -21.016 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.329 5.399 -19.433 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.175 8.108 -19.797 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -27.923 8.031 -19.901 1.00 0.00 H new ATOM 993 N LEU A 65 -25.609 3.475 -21.379 1.00 0.00 N ATOM 994 CA LEU A 65 -25.455 2.026 -21.316 1.00 0.00 C ATOM 995 C LEU A 65 -24.041 1.646 -20.886 1.00 0.00 C ATOM 996 O LEU A 65 -23.854 0.789 -20.021 1.00 0.00 O ATOM 997 CB LEU A 65 -25.771 1.400 -22.675 1.00 0.00 C ATOM 998 CG LEU A 65 -27.071 0.600 -22.759 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.356 0.193 -24.197 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.002 -0.626 -21.861 1.00 0.00 C ATOM 0 H LEU A 65 -25.954 3.824 -22.273 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.156 1.644 -20.574 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.809 2.196 -23.419 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -24.946 0.744 -22.951 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.887 1.234 -22.413 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.285 -0.376 -24.237 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.450 1.085 -24.816 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.538 -0.423 -24.570 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -27.936 -1.183 -21.934 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.175 -1.262 -22.176 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -26.846 -0.313 -20.829 1.00 0.00 H new ATOM 1012 N ILE A 66 -23.051 2.291 -21.492 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.655 2.024 -21.169 1.00 0.00 C ATOM 1014 C ILE A 66 -21.310 2.519 -19.768 1.00 0.00 C ATOM 1015 O ILE A 66 -20.781 1.770 -18.946 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.705 2.687 -22.184 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -21.090 2.290 -23.610 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.263 2.299 -21.892 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.321 3.041 -24.675 1.00 0.00 C ATOM 0 H ILE A 66 -23.189 3.003 -22.210 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.523 0.943 -21.213 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.796 3.769 -22.091 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.923 1.221 -23.739 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.156 2.465 -23.752 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.604 2.775 -22.618 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -18.994 2.627 -20.888 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.156 1.216 -21.961 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.646 2.708 -25.661 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.508 4.110 -24.573 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.255 2.846 -24.559 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.614 3.785 -19.503 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.338 4.381 -18.200 1.00 0.00 C ATOM 1033 C LEU A 67 -21.910 3.522 -17.077 1.00 0.00 C ATOM 1034 O LEU A 67 -21.225 3.227 -16.099 1.00 0.00 O ATOM 1035 CB LEU A 67 -21.925 5.792 -18.129 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.447 6.772 -19.200 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.432 7.922 -19.349 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -20.059 7.297 -18.863 1.00 0.00 C ATOM 0 H LEU A 67 -22.051 4.418 -20.172 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.257 4.437 -18.074 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.010 5.716 -18.193 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.692 6.212 -17.151 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.392 6.242 -20.151 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -22.075 8.610 -20.116 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.407 7.531 -19.638 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.520 8.451 -18.400 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.736 7.993 -19.637 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.088 7.810 -17.902 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.358 6.464 -18.809 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.170 3.124 -17.226 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.833 2.298 -16.223 1.00 0.00 C ATOM 1052 C GLU A 68 -23.013 1.047 -15.920 1.00 0.00 C ATOM 1053 O GLU A 68 -23.075 0.504 -14.818 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.231 1.901 -16.701 1.00 0.00 C ATOM 1055 CG GLU A 68 -25.958 0.969 -15.747 1.00 0.00 C ATOM 1056 CD GLU A 68 -27.293 0.501 -16.293 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -27.964 1.298 -16.982 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -27.668 -0.661 -16.031 1.00 0.00 O ATOM 0 H GLU A 68 -23.751 3.360 -18.030 1.00 0.00 H new ATOM 0 HA GLU A 68 -23.922 2.884 -15.308 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.828 2.802 -16.840 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.149 1.419 -17.675 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -25.329 0.102 -15.542 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -26.117 1.479 -14.797 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.245 0.597 -16.907 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.412 -0.588 -16.747 1.00 0.00 C ATOM 1067 C ALA A 69 -20.089 -0.242 -16.072 1.00 0.00 C ATOM 1068 O ALA A 69 -19.558 -1.026 -15.285 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.162 -1.245 -18.096 1.00 0.00 C ATOM 0 H ALA A 69 -22.183 1.035 -17.826 1.00 0.00 H new ATOM 0 HA ALA A 69 -21.944 -1.291 -16.106 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.538 -2.129 -17.960 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.113 -1.537 -18.540 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.655 -0.541 -18.755 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.561 0.937 -16.386 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.300 1.387 -15.809 1.00 0.00 C ATOM 1077 C VAL A 70 -18.430 1.610 -14.307 1.00 0.00 C ATOM 1078 O VAL A 70 -17.515 1.305 -13.542 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.815 2.692 -16.470 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.515 3.161 -15.834 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.645 2.498 -17.969 1.00 0.00 C ATOM 0 H VAL A 70 -19.987 1.597 -17.036 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.569 0.600 -15.994 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.569 3.463 -16.310 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.188 4.084 -16.313 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.674 3.341 -14.771 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.750 2.395 -15.962 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.302 3.429 -18.420 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -16.911 1.714 -18.153 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.600 2.212 -18.409 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.574 2.141 -13.890 1.00 0.00 N ATOM 1092 CA ASP A 71 -19.826 2.403 -12.478 1.00 0.00 C ATOM 1093 C ASP A 71 -19.570 1.154 -11.640 1.00 0.00 C ATOM 1094 O ASP A 71 -19.192 1.245 -10.471 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.264 2.883 -12.275 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.425 3.715 -11.018 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -20.609 3.549 -10.087 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -22.367 4.533 -10.965 1.00 0.00 O ATOM 0 H ASP A 71 -20.342 2.399 -14.510 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.141 3.185 -12.151 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.573 3.472 -13.139 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.928 2.020 -12.224 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.781 -0.010 -12.243 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.574 -1.278 -11.552 1.00 0.00 C ATOM 1105 C LEU A 72 -18.087 -1.604 -11.445 1.00 0.00 C ATOM 1106 O LEU A 72 -17.639 -2.191 -10.460 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.303 -2.406 -12.285 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.828 -2.301 -12.330 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.428 -3.528 -12.998 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -22.392 -2.125 -10.928 1.00 0.00 C ATOM 0 H LEU A 72 -20.095 -0.103 -13.209 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.980 -1.185 -10.545 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -19.931 -2.447 -13.309 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -20.038 -3.351 -11.811 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.095 -1.424 -12.920 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.514 -3.435 -13.021 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.049 -3.609 -14.017 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.152 -4.420 -12.436 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -23.478 -2.052 -10.979 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -22.114 -2.982 -10.314 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.988 -1.215 -10.485 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.328 -1.218 -12.464 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.890 -1.466 -12.484 1.00 0.00 C ATOM 1124 C LEU A 73 -15.197 -0.744 -11.333 1.00 0.00 C ATOM 1125 O LEU A 73 -14.384 -1.332 -10.619 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.293 -1.015 -13.818 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.220 -2.079 -14.914 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.799 -1.455 -16.236 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -14.259 -3.190 -14.517 1.00 0.00 C ATOM 0 H LEU A 73 -17.684 -0.732 -13.287 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.729 -2.538 -12.365 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.881 -0.177 -14.192 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.286 -0.641 -13.635 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.212 -2.512 -15.039 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.752 -2.227 -17.004 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.525 -0.696 -16.528 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.817 -0.994 -16.125 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.220 -3.938 -15.309 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.264 -2.773 -14.363 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.604 -3.657 -13.594 1.00 0.00 H new