USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=11 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 30 TYR OH : rot 143:sc= 0.639 USER MOD Set 1.2: A 62 HIS : no HE2:sc= 0.0193 K(o=0.66,f=-3.5) USER MOD Set 2.1: A 49 HIS :FLIP no HD1:sc= -0.0298 F(o=-1.2,f=-0.38) USER MOD Set 2.2: A 63 GLN : amide:sc= -0.348 K(o=-0.38,f=-4!) 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= -0.589 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.52) USER MOD Single : A 20 MET CE :methyl 132:sc= -0.454 (180deg=-2.47) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 91:sc= 0.547 USER MOD Single : A 28 GLN : amide:sc= 0.024 K(o=0.024,f=-1.7) USER MOD Single : A 29 GLN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.405 K(o=-0.41,f=-1.3) 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= -0.0826 X(o=-0.083,f=-0.037) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 50 GLN : amide:sc=-0.00205 K(o=-0.0021,f=-0.64) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.021 -0.416 -10.463 1.00 0.00 N ATOM 60 CA GLY A 7 -6.501 -1.088 -11.640 1.00 0.00 C ATOM 61 C GLY A 7 -7.128 -0.578 -12.923 1.00 0.00 C ATOM 62 O GLY A 7 -6.446 -0.420 -13.935 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.421 -0.949 -11.687 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.681 -2.159 -11.552 1.00 0.00 H new ATOM 66 N VAL A 8 -8.431 -0.322 -12.882 1.00 0.00 N ATOM 67 CA VAL A 8 -9.150 0.173 -14.050 1.00 0.00 C ATOM 68 C VAL A 8 -8.559 1.488 -14.543 1.00 0.00 C ATOM 69 O VAL A 8 -8.683 1.835 -15.718 1.00 0.00 O ATOM 70 CB VAL A 8 -10.646 0.378 -13.743 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.405 0.748 -15.009 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.234 -0.871 -13.105 1.00 0.00 C ATOM 0 H VAL A 8 -9.011 -0.449 -12.053 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.047 -0.583 -14.829 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.745 1.201 -13.035 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.460 0.889 -14.773 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.999 1.672 -15.420 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.301 -0.052 -15.742 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.291 -0.709 -12.895 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.125 -1.714 -13.787 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.708 -1.087 -12.175 1.00 0.00 H new ATOM 82 N SER A 9 -7.914 2.217 -13.638 1.00 0.00 N ATOM 83 CA SER A 9 -7.306 3.497 -13.980 1.00 0.00 C ATOM 84 C SER A 9 -6.050 3.294 -14.822 1.00 0.00 C ATOM 85 O SER A 9 -5.690 4.144 -15.637 1.00 0.00 O ATOM 86 CB SER A 9 -6.961 4.278 -12.710 1.00 0.00 C ATOM 87 OG SER A 9 -5.892 3.665 -12.009 1.00 0.00 O ATOM 0 H SER A 9 -7.799 1.943 -12.662 1.00 0.00 H new ATOM 0 HA SER A 9 -8.027 4.068 -14.565 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.690 5.301 -12.971 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.838 4.335 -12.065 1.00 0.00 H new ATOM 0 HG SER A 9 -5.689 4.184 -11.203 1.00 0.00 H new ATOM 93 N LYS A 10 -5.386 2.161 -14.619 1.00 0.00 N ATOM 94 CA LYS A 10 -4.171 1.842 -15.359 1.00 0.00 C ATOM 95 C LYS A 10 -4.448 0.800 -16.437 1.00 0.00 C ATOM 96 O LYS A 10 -3.543 0.087 -16.871 1.00 0.00 O ATOM 97 CB LYS A 10 -3.088 1.330 -14.406 1.00 0.00 C ATOM 98 CG LYS A 10 -2.825 2.256 -13.231 1.00 0.00 C ATOM 99 CD LYS A 10 -1.372 2.701 -13.187 1.00 0.00 C ATOM 100 CE LYS A 10 -0.912 2.960 -11.760 1.00 0.00 C ATOM 101 NZ LYS A 10 0.264 3.872 -11.714 1.00 0.00 N ATOM 0 H LYS A 10 -5.669 1.448 -13.947 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.820 2.754 -15.842 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.382 0.351 -14.028 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.161 1.191 -14.963 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.472 3.130 -13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.079 1.747 -12.301 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.742 1.936 -13.640 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.250 3.607 -13.780 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.731 3.395 -11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.657 2.014 -11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.547 4.024 -10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.054 3.446 -12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.013 4.784 -12.146 1.00 0.00 H new ATOM 115 N TRP A 11 -5.702 0.718 -16.866 1.00 0.00 N ATOM 116 CA TRP A 11 -6.097 -0.237 -17.895 1.00 0.00 C ATOM 117 C TRP A 11 -5.571 0.188 -19.262 1.00 0.00 C ATOM 118 O TRP A 11 -5.756 1.330 -19.682 1.00 0.00 O ATOM 119 CB TRP A 11 -7.620 -0.369 -17.940 1.00 0.00 C ATOM 120 CG TRP A 11 -8.134 -1.574 -17.213 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.543 -2.208 -16.157 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.341 -2.292 -17.490 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.311 -3.276 -15.761 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.419 -3.349 -16.561 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.365 -2.144 -18.429 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.480 -4.251 -16.549 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.416 -3.040 -18.415 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.468 -4.082 -17.480 1.00 0.00 C ATOM 0 H TRP A 11 -6.463 1.301 -16.517 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.663 -1.205 -17.644 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.068 0.526 -17.507 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.943 -0.416 -18.980 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.610 -1.913 -15.701 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.091 -3.912 -14.994 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.335 -1.343 -19.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.521 -5.056 -15.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.212 -2.936 -19.138 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.304 -4.765 -17.494 1.00 0.00 H new ATOM 139 N SER A 12 -4.913 -0.739 -19.952 1.00 0.00 N ATOM 140 CA SER A 12 -4.357 -0.459 -21.271 1.00 0.00 C ATOM 141 C SER A 12 -5.455 -0.050 -22.248 1.00 0.00 C ATOM 142 O SER A 12 -6.640 -0.309 -22.035 1.00 0.00 O ATOM 143 CB SER A 12 -3.615 -1.685 -21.805 1.00 0.00 C ATOM 144 OG SER A 12 -3.416 -2.647 -20.783 1.00 0.00 O ATOM 0 H SER A 12 -4.752 -1.690 -19.620 1.00 0.00 H new ATOM 0 HA SER A 12 -3.655 0.369 -21.174 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.183 -2.130 -22.622 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.652 -1.381 -22.215 1.00 0.00 H new ATOM 0 HG SER A 12 -2.941 -3.421 -21.151 1.00 0.00 H new ATOM 150 N PRO A 13 -5.054 0.607 -23.346 1.00 0.00 N ATOM 151 CA PRO A 13 -5.987 1.066 -24.379 1.00 0.00 C ATOM 152 C PRO A 13 -6.590 -0.089 -25.171 1.00 0.00 C ATOM 153 O PRO A 13 -7.636 0.059 -25.803 1.00 0.00 O ATOM 154 CB PRO A 13 -5.112 1.936 -25.286 1.00 0.00 C ATOM 155 CG PRO A 13 -3.731 1.414 -25.094 1.00 0.00 C ATOM 156 CD PRO A 13 -3.658 0.950 -23.665 1.00 0.00 C ATOM 0 HA PRO A 13 -6.840 1.594 -23.952 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.423 1.859 -26.328 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.179 2.988 -25.010 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.525 0.594 -25.782 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.990 2.189 -25.291 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.998 0.090 -23.555 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.276 1.731 -23.008 1.00 0.00 H new ATOM 164 N SER A 14 -5.925 -1.239 -25.131 1.00 0.00 N ATOM 165 CA SER A 14 -6.394 -2.419 -25.848 1.00 0.00 C ATOM 166 C SER A 14 -7.241 -3.305 -24.939 1.00 0.00 C ATOM 167 O SER A 14 -8.098 -4.053 -25.409 1.00 0.00 O ATOM 168 CB SER A 14 -5.208 -3.215 -26.394 1.00 0.00 C ATOM 169 OG SER A 14 -5.471 -3.687 -27.704 1.00 0.00 O ATOM 0 H SER A 14 -5.060 -1.379 -24.610 1.00 0.00 H new ATOM 0 HA SER A 14 -7.013 -2.086 -26.681 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.317 -2.587 -26.402 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.998 -4.058 -25.736 1.00 0.00 H new ATOM 0 HG SER A 14 -4.697 -4.191 -28.032 1.00 0.00 H new ATOM 175 N GLN A 15 -6.993 -3.215 -23.637 1.00 0.00 N ATOM 176 CA GLN A 15 -7.731 -4.009 -22.662 1.00 0.00 C ATOM 177 C GLN A 15 -9.198 -3.591 -22.618 1.00 0.00 C ATOM 178 O GLN A 15 -10.094 -4.435 -22.631 1.00 0.00 O ATOM 179 CB GLN A 15 -7.106 -3.862 -21.274 1.00 0.00 C ATOM 180 CG GLN A 15 -5.884 -4.741 -21.061 1.00 0.00 C ATOM 181 CD GLN A 15 -6.193 -5.982 -20.247 1.00 0.00 C ATOM 182 OE1 GLN A 15 -7.323 -6.470 -20.243 1.00 0.00 O ATOM 183 NE2 GLN A 15 -5.186 -6.501 -19.554 1.00 0.00 N ATOM 0 H GLN A 15 -6.287 -2.600 -23.233 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.678 -5.054 -22.968 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.825 -2.820 -21.120 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.854 -4.106 -20.520 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.481 -5.037 -22.029 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.109 -4.164 -20.556 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.265 -6.063 -19.587 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.333 -7.337 -18.989 1.00 0.00 H new ATOM 192 N VAL A 16 -9.435 -2.284 -22.567 1.00 0.00 N ATOM 193 CA VAL A 16 -10.792 -1.755 -22.523 1.00 0.00 C ATOM 194 C VAL A 16 -11.645 -2.334 -23.646 1.00 0.00 C ATOM 195 O VAL A 16 -12.837 -2.588 -23.468 1.00 0.00 O ATOM 196 CB VAL A 16 -10.799 -0.218 -22.629 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.225 0.312 -22.612 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.979 0.396 -21.504 1.00 0.00 C ATOM 0 H VAL A 16 -8.704 -1.572 -22.555 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.214 -2.048 -21.562 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.343 0.066 -23.577 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.210 1.399 -22.688 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.777 -0.103 -23.455 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.711 0.020 -21.681 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.994 1.482 -21.594 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.404 0.105 -20.543 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.950 0.041 -21.568 1.00 0.00 H new ATOM 208 N VAL A 17 -11.027 -2.542 -24.804 1.00 0.00 N ATOM 209 CA VAL A 17 -11.729 -3.094 -25.957 1.00 0.00 C ATOM 210 C VAL A 17 -12.282 -4.481 -25.652 1.00 0.00 C ATOM 211 O VAL A 17 -13.355 -4.852 -26.127 1.00 0.00 O ATOM 212 CB VAL A 17 -10.806 -3.180 -27.187 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.599 -3.580 -28.423 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.090 -1.856 -27.409 1.00 0.00 C ATOM 0 H VAL A 17 -10.042 -2.337 -24.969 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.555 -2.418 -26.178 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.054 -3.947 -27.003 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.930 -3.636 -29.282 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.061 -4.553 -28.259 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.374 -2.838 -28.614 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.442 -1.935 -28.282 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.825 -1.068 -27.572 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.489 -1.616 -26.532 1.00 0.00 H new ATOM 224 N ASP A 18 -11.541 -5.245 -24.856 1.00 0.00 N ATOM 225 CA ASP A 18 -11.957 -6.592 -24.485 1.00 0.00 C ATOM 226 C ASP A 18 -13.154 -6.551 -23.541 1.00 0.00 C ATOM 227 O ASP A 18 -13.948 -7.491 -23.487 1.00 0.00 O ATOM 228 CB ASP A 18 -10.799 -7.344 -23.828 1.00 0.00 C ATOM 229 CG ASP A 18 -11.016 -8.845 -23.815 1.00 0.00 C ATOM 230 OD1 ASP A 18 -11.891 -9.324 -24.566 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.313 -9.540 -23.052 1.00 0.00 O ATOM 0 H ASP A 18 -10.649 -4.954 -24.456 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.252 -7.117 -25.393 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.875 -7.118 -24.360 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.673 -6.989 -22.805 1.00 0.00 H new ATOM 236 N TRP A 19 -13.277 -5.457 -22.798 1.00 0.00 N ATOM 237 CA TRP A 19 -14.377 -5.294 -21.854 1.00 0.00 C ATOM 238 C TRP A 19 -15.701 -5.108 -22.587 1.00 0.00 C ATOM 239 O TRP A 19 -16.713 -5.704 -22.220 1.00 0.00 O ATOM 240 CB TRP A 19 -14.116 -4.098 -20.937 1.00 0.00 C ATOM 241 CG TRP A 19 -15.264 -3.788 -20.024 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.811 -4.615 -19.086 1.00 0.00 C ATOM 243 CD2 TRP A 19 -16.005 -2.564 -19.964 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.848 -3.980 -18.446 1.00 0.00 N ATOM 245 CE2 TRP A 19 -16.987 -2.720 -18.966 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.934 -1.351 -20.655 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.889 -1.709 -18.646 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.830 -0.349 -20.336 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.796 -0.532 -19.338 1.00 0.00 C ATOM 0 H TRP A 19 -12.629 -4.670 -22.831 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.441 -6.199 -21.250 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.227 -4.296 -20.337 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.900 -3.221 -21.548 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.478 -5.621 -18.877 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.421 -4.382 -17.704 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.192 -1.200 -21.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.636 -1.849 -17.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.785 0.591 -20.865 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.481 0.272 -19.110 1.00 0.00 H new ATOM 260 N MET A 20 -15.686 -4.279 -23.626 1.00 0.00 N ATOM 261 CA MET A 20 -16.886 -4.017 -24.412 1.00 0.00 C ATOM 262 C MET A 20 -17.411 -5.301 -25.047 1.00 0.00 C ATOM 263 O MET A 20 -18.595 -5.408 -25.368 1.00 0.00 O ATOM 264 CB MET A 20 -16.594 -2.980 -25.498 1.00 0.00 C ATOM 265 CG MET A 20 -15.868 -1.748 -24.982 1.00 0.00 C ATOM 266 SD MET A 20 -15.701 -0.464 -26.237 1.00 0.00 S ATOM 267 CE MET A 20 -17.421 -0.125 -26.605 1.00 0.00 C ATOM 0 H MET A 20 -14.856 -3.777 -23.943 1.00 0.00 H new ATOM 0 HA MET A 20 -17.651 -3.625 -23.742 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.994 -3.444 -26.280 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.533 -2.672 -25.957 1.00 0.00 H new ATOM 0 HG2 MET A 20 -16.408 -1.345 -24.125 1.00 0.00 H new ATOM 0 HG3 MET A 20 -14.878 -2.036 -24.628 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.590 0.952 -26.595 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.667 -0.521 -27.590 1.00 0.00 H new ATOM 0 HE3 MET A 20 -18.054 -0.599 -25.855 1.00 0.00 H new ATOM 277 N LYS A 21 -16.523 -6.274 -25.225 1.00 0.00 N ATOM 278 CA LYS A 21 -16.896 -7.551 -25.820 1.00 0.00 C ATOM 279 C LYS A 21 -17.872 -8.306 -24.923 1.00 0.00 C ATOM 280 O LYS A 21 -18.513 -9.263 -25.353 1.00 0.00 O ATOM 281 CB LYS A 21 -15.651 -8.405 -26.069 1.00 0.00 C ATOM 282 CG LYS A 21 -14.663 -7.773 -27.034 1.00 0.00 C ATOM 283 CD LYS A 21 -13.888 -8.827 -27.807 1.00 0.00 C ATOM 284 CE LYS A 21 -13.194 -8.229 -29.022 1.00 0.00 C ATOM 285 NZ LYS A 21 -12.372 -9.240 -29.744 1.00 0.00 N ATOM 0 H LYS A 21 -15.539 -6.202 -24.965 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.387 -7.349 -26.772 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.151 -8.589 -25.118 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.958 -9.375 -26.460 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.196 -7.127 -27.732 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.968 -7.140 -26.482 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.147 -9.288 -27.154 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.567 -9.618 -28.127 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.941 -7.816 -29.700 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.558 -7.402 -28.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.916 -8.794 -30.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.643 -9.616 -29.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.983 -10.017 -30.067 1.00 0.00 H new ATOM 299 N GLY A 22 -17.980 -7.866 -23.673 1.00 0.00 N ATOM 300 CA GLY A 22 -18.881 -8.511 -22.735 1.00 0.00 C ATOM 301 C GLY A 22 -19.972 -7.579 -22.246 1.00 0.00 C ATOM 302 O GLY A 22 -20.478 -7.734 -21.133 1.00 0.00 O ATOM 0 H GLY A 22 -17.460 -7.075 -23.293 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.336 -9.380 -23.211 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.311 -8.878 -21.881 1.00 0.00 H new ATOM 306 N LEU A 23 -20.336 -6.608 -23.076 1.00 0.00 N ATOM 307 CA LEU A 23 -21.373 -5.646 -22.721 1.00 0.00 C ATOM 308 C LEU A 23 -22.546 -5.727 -23.693 1.00 0.00 C ATOM 309 O LEU A 23 -22.625 -6.643 -24.512 1.00 0.00 O ATOM 310 CB LEU A 23 -20.800 -4.228 -22.713 1.00 0.00 C ATOM 311 CG LEU A 23 -19.519 -4.027 -21.903 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.119 -2.559 -21.893 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.699 -4.542 -20.483 1.00 0.00 C ATOM 0 H LEU A 23 -19.928 -6.466 -24.000 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.734 -5.891 -21.722 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.605 -3.930 -23.743 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.562 -3.552 -22.325 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.720 -4.597 -22.376 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.205 -2.435 -21.312 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.948 -2.222 -22.915 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.917 -1.967 -21.445 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.777 -4.391 -19.921 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.512 -4.000 -20.000 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -19.937 -5.605 -20.509 1.00 0.00 H new ATOM 325 N ASP A 24 -23.455 -4.763 -23.597 1.00 0.00 N ATOM 326 CA ASP A 24 -24.622 -4.722 -24.470 1.00 0.00 C ATOM 327 C ASP A 24 -24.210 -4.830 -25.935 1.00 0.00 C ATOM 328 O ASP A 24 -23.151 -4.342 -26.329 1.00 0.00 O ATOM 329 CB ASP A 24 -25.411 -3.432 -24.242 1.00 0.00 C ATOM 330 CG ASP A 24 -26.910 -3.658 -24.267 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.422 -4.345 -23.359 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.572 -3.148 -25.196 1.00 0.00 O ATOM 0 H ASP A 24 -23.406 -3.999 -22.923 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.257 -5.574 -24.227 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.127 -3.001 -23.282 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.143 -2.705 -25.009 1.00 0.00 H new ATOM 337 N ASP A 25 -25.053 -5.472 -26.736 1.00 0.00 N ATOM 338 CA ASP A 25 -24.777 -5.643 -28.157 1.00 0.00 C ATOM 339 C ASP A 25 -24.728 -4.294 -28.868 1.00 0.00 C ATOM 340 O ASP A 25 -24.074 -4.150 -29.902 1.00 0.00 O ATOM 341 CB ASP A 25 -25.840 -6.535 -28.801 1.00 0.00 C ATOM 342 CG ASP A 25 -25.418 -7.990 -28.858 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.747 -8.450 -27.911 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.759 -8.668 -29.850 1.00 0.00 O ATOM 0 H ASP A 25 -25.933 -5.883 -26.425 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.803 -6.121 -28.257 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.770 -6.451 -28.238 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.045 -6.179 -29.811 1.00 0.00 H new ATOM 349 N CYS A 26 -25.422 -3.311 -28.307 1.00 0.00 N ATOM 350 CA CYS A 26 -25.459 -1.973 -28.889 1.00 0.00 C ATOM 351 C CYS A 26 -24.112 -1.275 -28.732 1.00 0.00 C ATOM 352 O CYS A 26 -23.787 -0.356 -29.485 1.00 0.00 O ATOM 353 CB CYS A 26 -26.559 -1.139 -28.231 1.00 0.00 C ATOM 354 SG CYS A 26 -28.159 -1.975 -28.128 1.00 0.00 S ATOM 0 H CYS A 26 -25.967 -3.414 -27.451 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.675 -2.072 -29.953 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.239 -0.864 -27.226 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.681 -0.212 -28.791 1.00 0.00 H new ATOM 0 HG CYS A 26 -28.245 -2.610 -26.997 1.00 0.00 H new ATOM 360 N LEU A 27 -23.334 -1.716 -27.751 1.00 0.00 N ATOM 361 CA LEU A 27 -22.022 -1.133 -27.494 1.00 0.00 C ATOM 362 C LEU A 27 -20.925 -1.927 -28.197 1.00 0.00 C ATOM 363 O LEU A 27 -19.758 -1.866 -27.811 1.00 0.00 O ATOM 364 CB LEU A 27 -21.748 -1.085 -25.990 1.00 0.00 C ATOM 365 CG LEU A 27 -22.917 -0.645 -25.109 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.533 -0.711 -23.639 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.366 0.761 -25.481 1.00 0.00 C ATOM 0 H LEU A 27 -23.589 -2.476 -27.120 1.00 0.00 H new ATOM 0 HA LEU A 27 -22.020 -0.117 -27.890 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.429 -2.076 -25.667 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.912 -0.408 -25.815 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.750 -1.328 -25.277 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.378 -0.394 -23.028 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.261 -1.734 -23.380 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.684 -0.052 -23.455 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.199 1.058 -24.844 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.538 1.456 -25.343 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.683 0.778 -26.524 1.00 0.00 H new ATOM 379 N GLN A 28 -21.310 -2.669 -29.230 1.00 0.00 N ATOM 380 CA GLN A 28 -20.358 -3.474 -29.988 1.00 0.00 C ATOM 381 C GLN A 28 -19.812 -2.694 -31.179 1.00 0.00 C ATOM 382 O GLN A 28 -18.603 -2.661 -31.408 1.00 0.00 O ATOM 383 CB GLN A 28 -21.021 -4.766 -30.470 1.00 0.00 C ATOM 384 CG GLN A 28 -21.497 -5.664 -29.340 1.00 0.00 C ATOM 385 CD GLN A 28 -20.355 -6.202 -28.501 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.337 -6.649 -29.031 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.517 -6.161 -27.183 1.00 0.00 N ATOM 0 H GLN A 28 -22.273 -2.730 -29.561 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.526 -3.724 -29.329 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.870 -4.514 -31.105 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.314 -5.319 -31.089 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.181 -5.105 -28.701 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.061 -6.498 -29.757 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.377 -5.782 -26.786 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.781 -6.508 -26.568 1.00 0.00 H new ATOM 396 N GLN A 29 -20.710 -2.068 -31.932 1.00 0.00 N ATOM 397 CA GLN A 29 -20.317 -1.288 -33.100 1.00 0.00 C ATOM 398 C GLN A 29 -19.302 -0.215 -32.721 1.00 0.00 C ATOM 399 O GLN A 29 -18.502 0.218 -33.551 1.00 0.00 O ATOM 400 CB GLN A 29 -21.544 -0.642 -33.745 1.00 0.00 C ATOM 401 CG GLN A 29 -22.122 0.507 -32.935 1.00 0.00 C ATOM 402 CD GLN A 29 -23.574 0.786 -33.272 1.00 0.00 C ATOM 403 OE1 GLN A 29 -23.912 1.075 -34.420 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.441 0.702 -32.270 1.00 0.00 N ATOM 0 H GLN A 29 -21.714 -2.085 -31.755 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.853 -1.964 -33.818 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.274 -0.277 -34.736 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.314 -1.401 -33.884 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.037 0.277 -31.873 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.532 1.406 -33.114 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.117 0.459 -31.334 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.431 0.880 -32.436 1.00 0.00 H new ATOM 413 N TYR A 30 -19.340 0.211 -31.464 1.00 0.00 N ATOM 414 CA TYR A 30 -18.425 1.236 -30.976 1.00 0.00 C ATOM 415 C TYR A 30 -17.032 0.659 -30.746 1.00 0.00 C ATOM 416 O TYR A 30 -16.033 1.377 -30.800 1.00 0.00 O ATOM 417 CB TYR A 30 -18.956 1.848 -29.678 1.00 0.00 C ATOM 418 CG TYR A 30 -20.350 2.419 -29.804 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.716 3.172 -30.913 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.302 2.206 -28.814 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.989 3.697 -31.032 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.577 2.726 -28.925 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.915 3.471 -30.035 1.00 0.00 C ATOM 424 OH TYR A 30 -24.184 3.991 -30.150 1.00 0.00 O ATOM 0 H TYR A 30 -19.995 -0.138 -30.764 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.355 2.015 -31.735 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.954 1.085 -28.899 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.277 2.637 -29.354 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.993 3.350 -31.695 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -21.040 1.624 -27.943 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -22.257 4.281 -31.900 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.305 2.550 -28.147 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.833 3.352 -29.788 1.00 0.00 H new ATOM 434 N ILE A 31 -16.973 -0.644 -30.491 1.00 0.00 N ATOM 435 CA ILE A 31 -15.704 -1.319 -30.255 1.00 0.00 C ATOM 436 C ILE A 31 -14.708 -1.023 -31.371 1.00 0.00 C ATOM 437 O ILE A 31 -13.540 -0.731 -31.115 1.00 0.00 O ATOM 438 CB ILE A 31 -15.890 -2.844 -30.140 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.887 -3.175 -29.027 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.553 -3.522 -29.880 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.148 -4.657 -28.872 1.00 0.00 C ATOM 0 H ILE A 31 -17.790 -1.253 -30.443 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.314 -0.936 -29.312 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.288 -3.219 -31.083 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.511 -2.780 -28.083 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.830 -2.668 -29.232 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.700 -4.599 -29.801 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.871 -3.308 -30.703 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.129 -3.145 -28.950 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.864 -4.818 -28.066 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.554 -5.054 -29.802 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.215 -5.168 -28.636 1.00 0.00 H new ATOM 453 N LYS A 32 -15.178 -1.099 -32.612 1.00 0.00 N ATOM 454 CA LYS A 32 -14.331 -0.836 -33.769 1.00 0.00 C ATOM 455 C LYS A 32 -13.711 0.555 -33.685 1.00 0.00 C ATOM 456 O LYS A 32 -12.626 0.794 -34.213 1.00 0.00 O ATOM 457 CB LYS A 32 -15.141 -0.967 -35.061 1.00 0.00 C ATOM 458 CG LYS A 32 -15.600 -2.386 -35.350 1.00 0.00 C ATOM 459 CD LYS A 32 -15.705 -2.645 -36.843 1.00 0.00 C ATOM 460 CE LYS A 32 -16.658 -3.791 -37.145 1.00 0.00 C ATOM 461 NZ LYS A 32 -16.104 -4.719 -38.170 1.00 0.00 N ATOM 0 H LYS A 32 -16.142 -1.341 -32.842 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.528 -1.573 -33.774 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.014 -0.317 -35.000 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.537 -0.612 -35.896 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -14.900 -3.093 -34.906 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.569 -2.559 -34.881 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.050 -1.742 -37.347 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.718 -2.876 -37.243 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.863 -4.344 -36.228 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -17.609 -3.390 -37.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.784 -5.486 -38.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.932 -4.198 -39.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.209 -5.122 -37.826 1.00 0.00 H new ATOM 475 N ASN A 33 -14.407 1.469 -33.016 1.00 0.00 N ATOM 476 CA ASN A 33 -13.923 2.836 -32.862 1.00 0.00 C ATOM 477 C ASN A 33 -12.970 2.945 -31.675 1.00 0.00 C ATOM 478 O ASN A 33 -12.005 3.708 -31.709 1.00 0.00 O ATOM 479 CB ASN A 33 -15.099 3.797 -32.676 1.00 0.00 C ATOM 480 CG ASN A 33 -15.929 3.945 -33.937 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.486 3.595 -35.030 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.142 4.466 -33.788 1.00 0.00 N ATOM 0 H ASN A 33 -15.307 1.288 -32.572 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.380 3.107 -33.767 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.734 3.438 -31.866 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.722 4.775 -32.375 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.747 4.590 -34.600 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.468 4.742 -32.862 1.00 0.00 H new ATOM 489 N PHE A 34 -13.249 2.177 -30.627 1.00 0.00 N ATOM 490 CA PHE A 34 -12.417 2.188 -29.429 1.00 0.00 C ATOM 491 C PHE A 34 -11.065 1.535 -29.700 1.00 0.00 C ATOM 492 O PHE A 34 -10.061 1.883 -29.080 1.00 0.00 O ATOM 493 CB PHE A 34 -13.126 1.462 -28.284 1.00 0.00 C ATOM 494 CG PHE A 34 -13.999 2.360 -27.455 1.00 0.00 C ATOM 495 CD1 PHE A 34 -15.027 3.081 -28.040 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.791 2.482 -26.090 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.831 3.908 -27.279 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.593 3.308 -25.324 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.615 4.021 -25.919 1.00 0.00 C ATOM 0 H PHE A 34 -14.044 1.540 -30.583 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.249 3.226 -29.143 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.734 0.657 -28.696 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.379 0.999 -27.640 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.202 2.996 -29.102 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.994 1.926 -25.619 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.628 4.466 -27.747 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.420 3.395 -24.261 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.244 4.665 -25.323 1.00 0.00 H new ATOM 509 N GLU A 35 -11.048 0.586 -30.631 1.00 0.00 N ATOM 510 CA GLU A 35 -9.820 -0.117 -30.983 1.00 0.00 C ATOM 511 C GLU A 35 -8.820 0.831 -31.640 1.00 0.00 C ATOM 512 O GLU A 35 -7.618 0.753 -31.388 1.00 0.00 O ATOM 513 CB GLU A 35 -10.126 -1.284 -31.924 1.00 0.00 C ATOM 514 CG GLU A 35 -9.577 -2.616 -31.440 1.00 0.00 C ATOM 515 CD GLU A 35 -8.064 -2.620 -31.337 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.405 -2.074 -32.246 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.539 -3.170 -30.346 1.00 0.00 O ATOM 0 H GLU A 35 -11.870 0.287 -31.155 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.378 -0.506 -30.065 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.206 -1.368 -32.046 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.711 -1.065 -32.908 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.005 -2.848 -30.465 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.893 -3.405 -32.123 1.00 0.00 H new ATOM 524 N ARG A 36 -9.327 1.725 -32.483 1.00 0.00 N ATOM 525 CA ARG A 36 -8.479 2.686 -33.178 1.00 0.00 C ATOM 526 C ARG A 36 -8.225 3.914 -32.308 1.00 0.00 C ATOM 527 O ARG A 36 -7.173 4.545 -32.403 1.00 0.00 O ATOM 528 CB ARG A 36 -9.126 3.108 -34.498 1.00 0.00 C ATOM 529 CG ARG A 36 -8.126 3.561 -35.549 1.00 0.00 C ATOM 530 CD ARG A 36 -8.801 4.359 -36.654 1.00 0.00 C ATOM 531 NE ARG A 36 -8.042 4.319 -37.900 1.00 0.00 N ATOM 532 CZ ARG A 36 -8.551 4.647 -39.082 1.00 0.00 C ATOM 533 NH1 ARG A 36 -9.814 5.039 -39.177 1.00 0.00 N ATOM 534 NH2 ARG A 36 -7.797 4.585 -40.172 1.00 0.00 N ATOM 0 H ARG A 36 -10.320 1.804 -32.701 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.523 2.206 -33.387 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.703 2.272 -34.894 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.830 3.918 -34.305 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.354 4.170 -35.079 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.629 2.691 -35.979 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.802 3.964 -36.827 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.918 5.394 -36.334 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.067 4.023 -37.861 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.397 5.089 -38.341 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.203 5.290 -40.086 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.825 4.285 -40.103 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.190 4.837 -41.079 1.00 0.00 H new ATOM 548 N GLU A 37 -9.196 4.246 -31.463 1.00 0.00 N ATOM 549 CA GLU A 37 -9.076 5.399 -30.578 1.00 0.00 C ATOM 550 C GLU A 37 -8.128 5.101 -29.421 1.00 0.00 C ATOM 551 O GLU A 37 -7.586 6.013 -28.796 1.00 0.00 O ATOM 552 CB GLU A 37 -10.450 5.798 -30.036 1.00 0.00 C ATOM 553 CG GLU A 37 -11.240 6.691 -30.977 1.00 0.00 C ATOM 554 CD GLU A 37 -11.233 8.145 -30.546 1.00 0.00 C ATOM 555 OE1 GLU A 37 -12.009 8.498 -29.634 1.00 0.00 O ATOM 556 OE2 GLU A 37 -10.449 8.929 -31.121 1.00 0.00 O ATOM 0 H GLU A 37 -10.073 3.734 -31.373 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.666 6.227 -31.156 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.028 4.896 -29.835 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.320 6.313 -29.084 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.824 6.612 -31.981 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.269 6.337 -31.029 1.00 0.00 H new ATOM 563 N LYS A 38 -7.932 3.817 -29.140 1.00 0.00 N ATOM 564 CA LYS A 38 -7.049 3.396 -28.059 1.00 0.00 C ATOM 565 C LYS A 38 -7.501 3.984 -26.726 1.00 0.00 C ATOM 566 O LYS A 38 -6.690 4.504 -25.959 1.00 0.00 O ATOM 567 CB LYS A 38 -5.609 3.822 -28.354 1.00 0.00 C ATOM 568 CG LYS A 38 -5.093 3.335 -29.697 1.00 0.00 C ATOM 569 CD LYS A 38 -3.852 2.472 -29.538 1.00 0.00 C ATOM 570 CE LYS A 38 -2.872 2.690 -30.681 1.00 0.00 C ATOM 571 NZ LYS A 38 -1.484 2.306 -30.302 1.00 0.00 N ATOM 0 H LYS A 38 -8.373 3.050 -29.647 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.093 2.309 -27.990 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.547 4.910 -28.324 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.958 3.444 -27.566 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.872 2.764 -30.202 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.863 4.191 -30.332 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.365 2.704 -28.591 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.140 1.422 -29.500 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.187 2.106 -31.546 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.890 3.738 -30.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.846 2.469 -31.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.174 2.881 -29.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.461 1.300 -30.041 1.00 0.00 H new ATOM 585 N ILE A 39 -8.799 3.897 -26.457 1.00 0.00 N ATOM 586 CA ILE A 39 -9.358 4.419 -25.215 1.00 0.00 C ATOM 587 C ILE A 39 -8.749 3.722 -24.003 1.00 0.00 C ATOM 588 O ILE A 39 -9.003 2.542 -23.760 1.00 0.00 O ATOM 589 CB ILE A 39 -10.889 4.253 -25.174 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.533 4.972 -26.361 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.443 4.786 -23.861 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.335 6.471 -26.340 1.00 0.00 C ATOM 0 H ILE A 39 -9.483 3.470 -27.082 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.115 5.481 -25.180 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.128 3.192 -25.243 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.118 4.572 -27.286 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.601 4.755 -26.371 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.526 4.662 -23.846 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.003 4.235 -23.030 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.197 5.844 -23.765 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.818 6.914 -27.211 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.775 6.883 -25.432 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.269 6.698 -26.362 1.00 0.00 H new ATOM 604 N SER A 40 -7.946 4.460 -23.244 1.00 0.00 N ATOM 605 CA SER A 40 -7.299 3.913 -22.058 1.00 0.00 C ATOM 606 C SER A 40 -8.237 3.963 -20.855 1.00 0.00 C ATOM 607 O SER A 40 -9.218 4.705 -20.850 1.00 0.00 O ATOM 608 CB SER A 40 -6.015 4.684 -21.749 1.00 0.00 C ATOM 609 OG SER A 40 -6.289 5.848 -20.988 1.00 0.00 O ATOM 0 H SER A 40 -7.728 5.439 -23.430 1.00 0.00 H new ATOM 0 HA SER A 40 -7.049 2.871 -22.260 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.325 4.042 -21.202 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.521 4.962 -22.680 1.00 0.00 H new ATOM 0 HG SER A 40 -5.452 6.322 -20.802 1.00 0.00 H new ATOM 615 N GLY A 41 -7.927 3.166 -19.837 1.00 0.00 N ATOM 616 CA GLY A 41 -8.752 3.133 -18.643 1.00 0.00 C ATOM 617 C GLY A 41 -8.857 4.490 -17.975 1.00 0.00 C ATOM 618 O GLY A 41 -9.942 4.905 -17.565 1.00 0.00 O ATOM 0 H GLY A 41 -7.120 2.543 -19.818 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.750 2.781 -18.904 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.336 2.415 -17.937 1.00 0.00 H new ATOM 622 N ASP A 42 -7.729 5.182 -17.863 1.00 0.00 N ATOM 623 CA ASP A 42 -7.699 6.499 -17.238 1.00 0.00 C ATOM 624 C ASP A 42 -8.745 7.419 -17.860 1.00 0.00 C ATOM 625 O ASP A 42 -9.271 8.312 -17.197 1.00 0.00 O ATOM 626 CB ASP A 42 -6.308 7.121 -17.376 1.00 0.00 C ATOM 627 CG ASP A 42 -6.130 8.342 -16.496 1.00 0.00 C ATOM 628 OD1 ASP A 42 -5.701 8.178 -15.334 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.420 9.462 -16.967 1.00 0.00 O ATOM 0 H ASP A 42 -6.823 4.853 -18.197 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.931 6.378 -16.180 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.554 6.378 -17.118 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.139 7.399 -18.416 1.00 0.00 H new ATOM 634 N GLN A 43 -9.039 7.195 -19.137 1.00 0.00 N ATOM 635 CA GLN A 43 -10.020 8.006 -19.848 1.00 0.00 C ATOM 636 C GLN A 43 -11.419 7.418 -19.704 1.00 0.00 C ATOM 637 O GLN A 43 -12.417 8.136 -19.778 1.00 0.00 O ATOM 638 CB GLN A 43 -9.649 8.111 -21.328 1.00 0.00 C ATOM 639 CG GLN A 43 -8.463 9.024 -21.595 1.00 0.00 C ATOM 640 CD GLN A 43 -8.797 10.151 -22.552 1.00 0.00 C ATOM 641 OE1 GLN A 43 -8.588 11.325 -22.245 1.00 0.00 O ATOM 642 NE2 GLN A 43 -9.319 9.799 -23.722 1.00 0.00 N ATOM 0 H GLN A 43 -8.612 6.459 -19.700 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.017 9.003 -19.408 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.423 7.115 -21.709 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.511 8.477 -21.885 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.114 9.445 -20.652 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.642 8.436 -22.005 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.475 8.814 -23.935 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.563 10.514 -24.407 1.00 0.00 H new ATOM 651 N LEU A 44 -11.487 6.107 -19.497 1.00 0.00 N ATOM 652 CA LEU A 44 -12.765 5.421 -19.342 1.00 0.00 C ATOM 653 C LEU A 44 -13.379 5.716 -17.977 1.00 0.00 C ATOM 654 O LEU A 44 -14.582 5.957 -17.865 1.00 0.00 O ATOM 655 CB LEU A 44 -12.581 3.913 -19.517 1.00 0.00 C ATOM 656 CG LEU A 44 -13.826 3.054 -19.290 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.606 2.892 -20.585 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.441 1.695 -18.724 1.00 0.00 C ATOM 0 H LEU A 44 -10.671 5.498 -19.433 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.443 5.789 -20.112 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.215 3.727 -20.527 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.804 3.580 -18.829 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.465 3.559 -18.566 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.488 2.278 -20.404 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.914 3.872 -20.949 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.975 2.410 -21.332 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.339 1.098 -18.569 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.781 1.183 -19.424 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.926 1.830 -17.773 1.00 0.00 H new ATOM 670 N LEU A 45 -12.546 5.697 -16.943 1.00 0.00 N ATOM 671 CA LEU A 45 -13.006 5.964 -15.585 1.00 0.00 C ATOM 672 C LEU A 45 -13.580 7.373 -15.472 1.00 0.00 C ATOM 673 O LEU A 45 -14.454 7.633 -14.645 1.00 0.00 O ATOM 674 CB LEU A 45 -11.855 5.789 -14.592 1.00 0.00 C ATOM 675 CG LEU A 45 -12.135 4.879 -13.395 1.00 0.00 C ATOM 676 CD1 LEU A 45 -12.569 3.499 -13.864 1.00 0.00 C ATOM 677 CD2 LEU A 45 -10.906 4.779 -12.503 1.00 0.00 C ATOM 0 H LEU A 45 -11.548 5.499 -17.019 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.795 5.250 -15.348 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.994 5.393 -15.130 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.572 6.773 -14.217 1.00 0.00 H new ATOM 0 HG LEU A 45 -12.947 5.315 -12.813 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.764 2.865 -12.999 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.476 3.586 -14.461 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.778 3.055 -14.468 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.123 4.128 -11.656 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.074 4.367 -13.074 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.639 5.771 -12.139 1.00 0.00 H new ATOM 689 N ARG A 46 -13.084 8.277 -16.310 1.00 0.00 N ATOM 690 CA ARG A 46 -13.549 9.659 -16.305 1.00 0.00 C ATOM 691 C ARG A 46 -14.111 10.049 -17.669 1.00 0.00 C ATOM 692 O ARG A 46 -14.090 11.220 -18.048 1.00 0.00 O ATOM 693 CB ARG A 46 -12.406 10.602 -15.923 1.00 0.00 C ATOM 694 CG ARG A 46 -11.312 10.690 -16.975 1.00 0.00 C ATOM 695 CD ARG A 46 -10.031 11.273 -16.399 1.00 0.00 C ATOM 696 NE ARG A 46 -9.206 11.903 -17.427 1.00 0.00 N ATOM 697 CZ ARG A 46 -9.496 13.071 -17.988 1.00 0.00 C ATOM 698 NH1 ARG A 46 -10.584 13.735 -17.622 1.00 0.00 N ATOM 699 NH2 ARG A 46 -8.695 13.580 -18.916 1.00 0.00 N ATOM 0 H ARG A 46 -12.361 8.078 -17.001 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.345 9.746 -15.566 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.811 11.599 -15.748 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.968 10.267 -14.983 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.112 9.697 -17.378 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.653 11.308 -17.805 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.279 12.008 -15.633 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.461 10.483 -15.910 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.361 11.419 -17.730 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.201 13.349 -16.907 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.804 14.632 -18.055 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.856 13.074 -19.199 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.919 14.477 -19.346 1.00 0.00 H new ATOM 713 N ILE A 47 -14.612 9.060 -18.401 1.00 0.00 N ATOM 714 CA ILE A 47 -15.179 9.300 -19.722 1.00 0.00 C ATOM 715 C ILE A 47 -16.440 10.152 -19.632 1.00 0.00 C ATOM 716 O ILE A 47 -17.352 9.853 -18.859 1.00 0.00 O ATOM 717 CB ILE A 47 -15.516 7.979 -20.438 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.049 8.258 -21.845 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.529 7.182 -19.631 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.152 7.737 -22.946 1.00 0.00 C ATOM 0 H ILE A 47 -14.637 8.085 -18.102 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.423 9.834 -20.298 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.604 7.388 -20.525 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.036 7.806 -21.947 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.176 9.333 -21.970 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.757 6.251 -20.150 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.115 6.957 -18.648 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.442 7.766 -19.515 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.593 7.970 -23.915 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.172 8.208 -22.870 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.044 6.657 -22.847 1.00 0.00 H new ATOM 732 N THR A 48 -16.488 11.216 -20.428 1.00 0.00 N ATOM 733 CA THR A 48 -17.637 12.112 -20.439 1.00 0.00 C ATOM 734 C THR A 48 -18.372 12.047 -21.774 1.00 0.00 C ATOM 735 O THR A 48 -17.840 11.542 -22.763 1.00 0.00 O ATOM 736 CB THR A 48 -17.217 13.568 -20.167 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.376 14.403 -20.069 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.307 14.084 -21.272 1.00 0.00 C ATOM 0 H THR A 48 -15.743 11.478 -21.074 1.00 0.00 H new ATOM 0 HA THR A 48 -18.304 11.780 -19.643 1.00 0.00 H new ATOM 0 HB THR A 48 -16.670 13.594 -19.225 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.100 15.327 -19.894 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.023 15.114 -21.058 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.412 13.465 -21.325 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.833 14.043 -22.226 1.00 0.00 H new ATOM 746 N HIS A 49 -19.597 12.563 -21.795 1.00 0.00 N ATOM 747 CA HIS A 49 -20.404 12.566 -23.010 1.00 0.00 C ATOM 748 C HIS A 49 -19.633 13.182 -24.173 1.00 0.00 C ATOM 749 O HIS A 49 -19.829 12.805 -25.328 1.00 0.00 O ATOM 750 CB HIS A 49 -21.706 13.334 -22.781 1.00 0.00 C ATOM 751 CG HIS A 49 -22.816 12.485 -22.243 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.897 11.948 -22.856 1.00 0.00 N flip ATOM 753 CD2 HIS A 49 -22.895 12.099 -20.922 1.00 0.00 C flip ATOM 754 CE1 HIS A 49 -24.602 11.254 -21.904 1.00 0.00 C flip ATOM 755 NE2 HIS A 49 -23.976 11.360 -20.745 1.00 0.00 N flip ATOM 0 H HIS A 49 -20.052 12.984 -20.985 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.641 11.532 -23.262 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.518 14.153 -22.087 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.025 13.781 -23.723 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -22.184 12.360 -20.152 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.519 10.710 -22.075 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -24.276 10.943 -19.864 1.00 0.00 H new ATOM 763 N GLN A 50 -18.757 14.131 -23.860 1.00 0.00 N ATOM 764 CA GLN A 50 -17.958 14.800 -24.880 1.00 0.00 C ATOM 765 C GLN A 50 -16.979 13.828 -25.529 1.00 0.00 C ATOM 766 O GLN A 50 -16.701 13.918 -26.724 1.00 0.00 O ATOM 767 CB GLN A 50 -17.197 15.979 -24.270 1.00 0.00 C ATOM 768 CG GLN A 50 -17.623 17.330 -24.822 1.00 0.00 C ATOM 769 CD GLN A 50 -17.108 17.575 -26.227 1.00 0.00 C ATOM 770 OE1 GLN A 50 -15.969 17.235 -26.550 1.00 0.00 O ATOM 771 NE2 GLN A 50 -17.945 18.167 -27.070 1.00 0.00 N ATOM 0 H GLN A 50 -18.582 14.454 -22.908 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.635 15.173 -25.649 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.343 15.975 -23.190 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.130 15.843 -24.448 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -18.711 17.391 -24.822 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -17.259 18.119 -24.163 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -18.880 18.432 -26.759 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -17.653 18.357 -28.029 1.00 0.00 H new ATOM 780 N GLU A 51 -16.459 12.900 -24.732 1.00 0.00 N ATOM 781 CA GLU A 51 -15.509 11.912 -25.230 1.00 0.00 C ATOM 782 C GLU A 51 -16.208 10.883 -26.114 1.00 0.00 C ATOM 783 O GLU A 51 -15.772 10.612 -27.234 1.00 0.00 O ATOM 784 CB GLU A 51 -14.812 11.208 -24.063 1.00 0.00 C ATOM 785 CG GLU A 51 -13.668 12.009 -23.465 1.00 0.00 C ATOM 786 CD GLU A 51 -12.610 11.129 -22.829 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.920 9.963 -22.510 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.470 11.608 -22.650 1.00 0.00 O ATOM 0 H GLU A 51 -16.679 12.812 -23.740 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.762 12.433 -25.829 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.546 11.001 -23.284 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.431 10.246 -24.405 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.209 12.617 -24.244 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.063 12.695 -22.716 1.00 0.00 H new ATOM 795 N LEU A 52 -17.293 10.312 -25.604 1.00 0.00 N ATOM 796 CA LEU A 52 -18.053 9.312 -26.346 1.00 0.00 C ATOM 797 C LEU A 52 -18.411 9.823 -27.738 1.00 0.00 C ATOM 798 O LEU A 52 -18.239 9.118 -28.731 1.00 0.00 O ATOM 799 CB LEU A 52 -19.326 8.941 -25.583 1.00 0.00 C ATOM 800 CG LEU A 52 -19.184 7.832 -24.540 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.081 8.106 -23.343 1.00 0.00 C ATOM 802 CD2 LEU A 52 -19.511 6.478 -25.154 1.00 0.00 C ATOM 0 H LEU A 52 -17.667 10.524 -24.679 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.430 8.424 -26.454 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.701 9.835 -25.085 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.084 8.638 -26.306 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.150 7.814 -24.196 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -19.966 7.306 -22.612 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -19.801 9.056 -22.888 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.120 8.152 -23.670 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -19.405 5.700 -24.398 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.536 6.485 -25.526 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -18.827 6.278 -25.979 1.00 0.00 H new ATOM 814 N GLU A 53 -18.909 11.055 -27.801 1.00 0.00 N ATOM 815 CA GLU A 53 -19.290 11.660 -29.071 1.00 0.00 C ATOM 816 C GLU A 53 -18.146 11.575 -30.079 1.00 0.00 C ATOM 817 O GLU A 53 -18.359 11.262 -31.250 1.00 0.00 O ATOM 818 CB GLU A 53 -19.695 13.121 -28.865 1.00 0.00 C ATOM 819 CG GLU A 53 -20.803 13.583 -29.797 1.00 0.00 C ATOM 820 CD GLU A 53 -20.811 15.086 -29.992 1.00 0.00 C ATOM 821 OE1 GLU A 53 -21.406 15.791 -29.151 1.00 0.00 O ATOM 822 OE2 GLU A 53 -20.222 15.558 -30.988 1.00 0.00 O ATOM 0 H GLU A 53 -19.057 11.652 -26.988 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.142 11.107 -29.466 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.019 13.257 -27.833 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -18.821 13.756 -29.011 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.686 13.095 -30.765 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.766 13.267 -29.395 1.00 0.00 H new ATOM 829 N ASP A 54 -16.934 11.857 -29.614 1.00 0.00 N ATOM 830 CA ASP A 54 -15.756 11.813 -30.472 1.00 0.00 C ATOM 831 C ASP A 54 -15.618 10.445 -31.134 1.00 0.00 C ATOM 832 O ASP A 54 -15.437 10.347 -32.349 1.00 0.00 O ATOM 833 CB ASP A 54 -14.498 12.132 -29.664 1.00 0.00 C ATOM 834 CG ASP A 54 -13.336 12.552 -30.544 1.00 0.00 C ATOM 835 OD1 ASP A 54 -13.219 12.018 -31.666 1.00 0.00 O ATOM 836 OD2 ASP A 54 -12.544 13.415 -30.109 1.00 0.00 O ATOM 0 H ASP A 54 -16.742 12.119 -28.647 1.00 0.00 H new ATOM 0 HA ASP A 54 -15.876 12.564 -31.253 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.718 12.929 -28.953 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.211 11.256 -29.082 1.00 0.00 H new ATOM 841 N LEU A 55 -15.702 9.392 -30.329 1.00 0.00 N ATOM 842 CA LEU A 55 -15.585 8.030 -30.836 1.00 0.00 C ATOM 843 C LEU A 55 -16.651 7.747 -31.889 1.00 0.00 C ATOM 844 O LEU A 55 -16.447 6.937 -32.792 1.00 0.00 O ATOM 845 CB LEU A 55 -15.707 7.025 -29.688 1.00 0.00 C ATOM 846 CG LEU A 55 -14.645 7.125 -28.593 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.289 7.063 -27.217 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.611 6.019 -28.750 1.00 0.00 C ATOM 0 H LEU A 55 -15.851 9.455 -29.322 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.605 7.925 -31.301 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.687 7.147 -29.228 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -15.674 6.019 -30.107 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.139 8.085 -28.692 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.517 7.136 -26.451 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.990 7.890 -27.106 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.822 6.119 -27.107 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.863 6.106 -27.962 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.102 5.049 -28.679 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.126 6.109 -29.722 1.00 0.00 H new ATOM 860 N GLY A 56 -17.790 8.424 -31.768 1.00 0.00 N ATOM 861 CA GLY A 56 -18.870 8.233 -32.718 1.00 0.00 C ATOM 862 C GLY A 56 -20.212 8.045 -32.039 1.00 0.00 C ATOM 863 O GLY A 56 -21.260 8.226 -32.659 1.00 0.00 O ATOM 0 H GLY A 56 -17.983 9.101 -31.029 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.921 9.094 -33.384 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.655 7.363 -33.338 1.00 0.00 H new ATOM 867 N VAL A 57 -20.181 7.679 -30.762 1.00 0.00 N ATOM 868 CA VAL A 57 -21.405 7.466 -29.998 1.00 0.00 C ATOM 869 C VAL A 57 -22.226 8.747 -29.906 1.00 0.00 C ATOM 870 O VAL A 57 -21.996 9.583 -29.033 1.00 0.00 O ATOM 871 CB VAL A 57 -21.098 6.963 -28.575 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.380 6.564 -27.861 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.119 5.799 -28.621 1.00 0.00 C ATOM 0 H VAL A 57 -19.322 7.524 -30.234 1.00 0.00 H new ATOM 0 HA VAL A 57 -21.980 6.707 -30.528 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.636 7.775 -28.014 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.143 6.211 -26.857 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.043 7.426 -27.795 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -22.874 5.768 -28.418 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -19.913 5.456 -27.607 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.551 4.983 -29.199 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.190 6.123 -29.090 1.00 0.00 H new ATOM 883 N SER A 58 -23.187 8.894 -30.813 1.00 0.00 N ATOM 884 CA SER A 58 -24.041 10.075 -30.837 1.00 0.00 C ATOM 885 C SER A 58 -25.453 9.734 -30.370 1.00 0.00 C ATOM 886 O SER A 58 -26.437 10.229 -30.919 1.00 0.00 O ATOM 887 CB SER A 58 -24.088 10.668 -32.247 1.00 0.00 C ATOM 888 OG SER A 58 -24.021 12.083 -32.207 1.00 0.00 O ATOM 0 H SER A 58 -23.393 8.210 -31.541 1.00 0.00 H new ATOM 0 HA SER A 58 -23.619 10.812 -30.154 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.259 10.278 -32.837 1.00 0.00 H new ATOM 0 HB3 SER A 58 -25.007 10.358 -32.745 1.00 0.00 H new ATOM 0 HG SER A 58 -24.051 12.438 -33.120 1.00 0.00 H new ATOM 894 N ARG A 59 -25.543 8.883 -29.353 1.00 0.00 N ATOM 895 CA ARG A 59 -26.834 8.474 -28.811 1.00 0.00 C ATOM 896 C ARG A 59 -26.917 8.776 -27.318 1.00 0.00 C ATOM 897 O ARG A 59 -25.918 9.127 -26.689 1.00 0.00 O ATOM 898 CB ARG A 59 -27.062 6.981 -29.054 1.00 0.00 C ATOM 899 CG ARG A 59 -27.966 6.688 -30.240 1.00 0.00 C ATOM 900 CD ARG A 59 -29.433 6.695 -29.838 1.00 0.00 C ATOM 901 NE ARG A 59 -30.082 7.963 -30.159 1.00 0.00 N ATOM 902 CZ ARG A 59 -31.359 8.221 -29.899 1.00 0.00 C ATOM 903 NH1 ARG A 59 -32.119 7.303 -29.317 1.00 0.00 N ATOM 904 NH2 ARG A 59 -31.878 9.399 -30.222 1.00 0.00 N ATOM 0 H ARG A 59 -24.738 8.463 -28.888 1.00 0.00 H new ATOM 0 HA ARG A 59 -27.611 9.042 -29.322 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.099 6.496 -29.214 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.497 6.538 -28.158 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -27.798 7.431 -31.019 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -27.709 5.717 -30.664 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -29.952 5.883 -30.347 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -29.517 6.506 -28.768 1.00 0.00 H new ATOM 0 HE ARG A 59 -29.525 8.690 -30.607 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -31.723 6.396 -29.068 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -33.099 7.504 -29.118 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -31.296 10.107 -30.670 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -32.859 9.596 -30.022 1.00 0.00 H new ATOM 918 N ILE A 60 -28.114 8.637 -26.758 1.00 0.00 N ATOM 919 CA ILE A 60 -28.327 8.895 -25.339 1.00 0.00 C ATOM 920 C ILE A 60 -28.469 7.592 -24.559 1.00 0.00 C ATOM 921 O ILE A 60 -27.852 7.414 -23.510 1.00 0.00 O ATOM 922 CB ILE A 60 -29.580 9.759 -25.105 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.456 11.089 -25.851 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.790 9.997 -23.617 1.00 0.00 C ATOM 925 CD1 ILE A 60 -28.242 11.896 -25.448 1.00 0.00 C ATOM 0 H ILE A 60 -28.951 8.347 -27.265 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.451 9.436 -24.982 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.448 9.226 -25.493 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.413 10.893 -26.922 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -30.353 11.682 -25.671 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -30.679 10.609 -23.468 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.919 9.041 -23.110 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.922 10.512 -23.205 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -28.218 12.826 -26.017 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -28.293 12.123 -24.383 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.339 11.322 -25.653 1.00 0.00 H new ATOM 937 N GLY A 61 -29.286 6.682 -25.081 1.00 0.00 N ATOM 938 CA GLY A 61 -29.493 5.406 -24.422 1.00 0.00 C ATOM 939 C GLY A 61 -28.267 4.516 -24.484 1.00 0.00 C ATOM 940 O GLY A 61 -28.118 3.595 -23.680 1.00 0.00 O ATOM 0 H GLY A 61 -29.808 6.806 -25.948 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.761 5.578 -23.380 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.335 4.893 -24.887 1.00 0.00 H new ATOM 944 N HIS A 62 -27.387 4.789 -25.442 1.00 0.00 N ATOM 945 CA HIS A 62 -26.168 4.005 -25.607 1.00 0.00 C ATOM 946 C HIS A 62 -25.046 4.554 -24.731 1.00 0.00 C ATOM 947 O HIS A 62 -24.354 3.800 -24.048 1.00 0.00 O ATOM 948 CB HIS A 62 -25.732 4.002 -27.072 1.00 0.00 C ATOM 949 CG HIS A 62 -26.736 3.382 -27.995 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.885 3.764 -29.311 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.643 2.399 -27.784 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.842 3.044 -29.870 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.318 2.208 -28.965 1.00 0.00 N ATOM 0 H HIS A 62 -27.495 5.547 -26.116 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.379 2.982 -25.297 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.545 5.028 -27.389 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.788 3.464 -27.161 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -26.342 4.489 -29.780 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.805 1.865 -26.860 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -28.178 3.125 -30.893 1.00 0.00 H new ATOM 961 N GLN A 63 -24.873 5.872 -24.758 1.00 0.00 N ATOM 962 CA GLN A 63 -23.834 6.521 -23.967 1.00 0.00 C ATOM 963 C GLN A 63 -23.989 6.190 -22.486 1.00 0.00 C ATOM 964 O GLN A 63 -23.018 6.213 -21.731 1.00 0.00 O ATOM 965 CB GLN A 63 -23.881 8.036 -24.170 1.00 0.00 C ATOM 966 CG GLN A 63 -23.194 8.501 -25.445 1.00 0.00 C ATOM 967 CD GLN A 63 -22.926 9.993 -25.452 1.00 0.00 C ATOM 968 OE1 GLN A 63 -22.140 10.498 -24.651 1.00 0.00 O ATOM 969 NE2 GLN A 63 -23.579 10.707 -26.361 1.00 0.00 N ATOM 0 H GLN A 63 -25.438 6.510 -25.318 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.868 6.145 -24.305 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -24.922 8.360 -24.189 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.411 8.523 -23.316 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.252 7.966 -25.561 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -23.815 8.243 -26.303 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.222 10.247 -27.006 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.438 11.716 -26.415 1.00 0.00 H new ATOM 978 N GLU A 64 -25.217 5.882 -22.080 1.00 0.00 N ATOM 979 CA GLU A 64 -25.498 5.547 -20.689 1.00 0.00 C ATOM 980 C GLU A 64 -25.277 4.059 -20.432 1.00 0.00 C ATOM 981 O GLU A 64 -24.959 3.651 -19.314 1.00 0.00 O ATOM 982 CB GLU A 64 -26.936 5.930 -20.329 1.00 0.00 C ATOM 983 CG GLU A 64 -27.147 7.427 -20.179 1.00 0.00 C ATOM 984 CD GLU A 64 -28.003 7.778 -18.978 1.00 0.00 C ATOM 985 OE1 GLU A 64 -29.244 7.697 -19.089 1.00 0.00 O ATOM 986 OE2 GLU A 64 -27.431 8.132 -17.925 1.00 0.00 O ATOM 0 H GLU A 64 -26.032 5.858 -22.693 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.811 6.113 -20.060 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.608 5.552 -21.100 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.212 5.437 -19.397 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.179 7.919 -20.087 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -27.617 7.816 -21.082 1.00 0.00 H new ATOM 993 N LEU A 65 -25.449 3.253 -21.474 1.00 0.00 N ATOM 994 CA LEU A 65 -25.270 1.810 -21.362 1.00 0.00 C ATOM 995 C LEU A 65 -23.844 1.470 -20.938 1.00 0.00 C ATOM 996 O LEU A 65 -23.628 0.590 -20.105 1.00 0.00 O ATOM 997 CB LEU A 65 -25.594 1.132 -22.694 1.00 0.00 C ATOM 998 CG LEU A 65 -27.005 0.560 -22.831 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.268 0.124 -24.264 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.204 -0.604 -21.872 1.00 0.00 C ATOM 0 H LEU A 65 -25.712 3.574 -22.406 1.00 0.00 H new ATOM 0 HA LEU A 65 -25.954 1.441 -20.598 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.438 1.855 -23.494 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -24.879 0.324 -22.851 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.720 1.342 -22.575 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.277 -0.280 -24.342 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.168 0.982 -24.929 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.547 -0.642 -24.549 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.214 -0.999 -21.983 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.481 -1.388 -22.097 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -27.060 -0.260 -20.848 1.00 0.00 H new ATOM 1012 N ILE A 66 -22.877 2.173 -21.517 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.473 1.948 -21.196 1.00 0.00 C ATOM 1014 C ILE A 66 -21.126 2.509 -19.821 1.00 0.00 C ATOM 1015 O ILE A 66 -20.507 1.831 -19.000 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.546 2.586 -22.247 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -20.902 2.081 -23.647 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.091 2.284 -21.923 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.217 2.846 -24.758 1.00 0.00 C ATOM 0 H ILE A 66 -23.040 2.903 -22.211 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.319 0.869 -21.195 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.686 3.667 -22.225 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.634 1.027 -23.723 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.981 2.146 -23.784 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.448 2.742 -22.675 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -18.845 2.688 -20.941 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -18.935 1.205 -21.921 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.516 2.434 -25.722 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.505 3.896 -24.708 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.136 2.760 -24.646 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.531 3.750 -19.575 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.264 4.402 -18.298 1.00 0.00 C ATOM 1033 C LEU A 67 -21.873 3.611 -17.145 1.00 0.00 C ATOM 1034 O LEU A 67 -21.210 3.352 -16.141 1.00 0.00 O ATOM 1035 CB LEU A 67 -21.823 5.827 -18.304 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.250 6.768 -19.365 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.172 7.959 -19.575 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -19.856 7.233 -18.968 1.00 0.00 C ATOM 0 H LEU A 67 -22.045 4.325 -20.243 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.184 4.442 -18.157 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.903 5.772 -18.441 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.648 6.269 -17.323 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.175 6.222 -20.306 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.748 8.618 -20.333 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.150 7.608 -19.904 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.279 8.506 -18.638 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.464 7.902 -19.734 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.906 7.762 -18.016 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.199 6.369 -18.869 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.136 3.228 -17.298 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.832 2.464 -16.269 1.00 0.00 C ATOM 1052 C GLU A 68 -23.029 1.229 -15.872 1.00 0.00 C ATOM 1053 O GLU A 68 -23.109 0.763 -14.735 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.219 2.046 -16.764 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.137 1.556 -15.657 1.00 0.00 C ATOM 1056 CD GLU A 68 -26.389 2.611 -14.597 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -26.669 3.770 -14.970 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -26.307 2.279 -13.397 1.00 0.00 O ATOM 0 H GLU A 68 -23.698 3.434 -18.124 1.00 0.00 H new ATOM 0 HA GLU A 68 -23.943 3.101 -15.392 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.687 2.893 -17.265 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.108 1.257 -17.508 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -27.088 1.247 -16.090 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.698 0.675 -15.190 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.256 0.704 -16.816 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.437 -0.476 -16.565 1.00 0.00 C ATOM 1067 C ALA A 69 -20.122 -0.097 -15.891 1.00 0.00 C ATOM 1068 O ALA A 69 -19.563 -0.874 -15.116 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.171 -1.221 -17.864 1.00 0.00 C ATOM 0 H ALA A 69 -22.179 1.077 -17.762 1.00 0.00 H new ATOM 0 HA ALA A 69 -21.986 -1.132 -15.890 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.558 -2.099 -17.661 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.118 -1.533 -18.305 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.646 -0.565 -18.559 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.631 1.101 -16.192 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.382 1.582 -15.616 1.00 0.00 C ATOM 1077 C VAL A 70 -18.517 1.798 -14.113 1.00 0.00 C ATOM 1078 O VAL A 70 -17.596 1.510 -13.348 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.931 2.900 -16.274 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.642 3.401 -15.639 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.758 2.714 -17.774 1.00 0.00 C ATOM 0 H VAL A 70 -20.080 1.756 -16.832 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.631 0.815 -15.804 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.704 3.651 -16.110 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.339 4.333 -16.117 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.804 3.575 -14.575 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.858 2.655 -15.769 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.439 3.655 -18.223 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.005 1.949 -17.961 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.706 2.405 -18.214 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.671 2.307 -13.695 1.00 0.00 N ATOM 1092 CA ASP A 71 -19.929 2.560 -12.283 1.00 0.00 C ATOM 1093 C ASP A 71 -19.669 1.308 -11.450 1.00 0.00 C ATOM 1094 O ASP A 71 -19.284 1.395 -10.283 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.370 3.032 -12.082 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.503 4.014 -10.935 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -21.296 5.224 -11.163 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -21.814 3.573 -9.808 1.00 0.00 O ATOM 0 H ASP A 71 -20.443 2.552 -14.315 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.249 3.344 -11.950 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.728 3.499 -13.000 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -22.009 2.169 -11.894 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.884 0.146 -12.056 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.674 -1.124 -11.370 1.00 0.00 C ATOM 1105 C LEU A 72 -18.196 -1.500 -11.359 1.00 0.00 C ATOM 1106 O LEU A 72 -17.721 -2.166 -10.438 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.488 -2.231 -12.045 1.00 0.00 C ATOM 1108 CG LEU A 72 -22.004 -2.156 -11.861 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.688 -3.297 -12.598 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -22.364 -2.181 -10.383 1.00 0.00 C ATOM 0 H LEU A 72 -20.203 0.057 -13.021 1.00 0.00 H new ATOM 0 HA LEU A 72 -20.009 -1.011 -10.339 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.270 -2.215 -13.113 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -20.143 -3.192 -11.664 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.356 -1.215 -12.284 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.766 -3.227 -12.456 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.457 -3.233 -13.661 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.331 -4.249 -12.206 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -23.447 -2.127 -10.271 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.999 -3.105 -9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.905 -1.329 -9.882 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.473 -1.067 -12.386 1.00 0.00 N ATOM 1123 CA LEU A 73 -16.047 -1.355 -12.494 1.00 0.00 C ATOM 1124 C LEU A 73 -15.272 -0.704 -11.353 1.00 0.00 C ATOM 1125 O LEU A 73 -14.295 -1.263 -10.854 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.508 -0.864 -13.838 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.332 -1.929 -14.921 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.911 -1.290 -16.235 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -14.315 -2.972 -14.483 1.00 0.00 C ATOM 0 H LEU A 73 -17.851 -0.515 -13.156 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.913 -2.435 -12.429 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.182 -0.096 -14.218 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.544 -0.386 -13.667 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.290 -2.426 -15.073 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.791 -2.063 -16.994 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.675 -0.582 -16.557 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.965 -0.766 -16.098 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.203 -3.722 -15.266 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.354 -2.490 -14.302 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.658 -3.453 -13.567 1.00 0.00 H new