USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 761 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 606 LYS NZ :NH3+ 133:sc= 0.668 (180deg=-0.0665) USER MOD Set 1.2: A 608 ASN : amide:sc= 0.535 K(o=1.2,f=-11!) USER MOD Single : A 588 THR OG1 : rot 180:sc=-0.00461 USER MOD Single : A 594 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.21) USER MOD Single : A 596 SER OG : rot -30:sc= 0.657 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 604 SER OG : rot 180:sc= -0.232 USER MOD Single : A 610 SER OG : rot -74:sc= 1.2 USER MOD Single : A 622 LYS NZ :NH3+ 164:sc= 0.556 (180deg=-0.0705!) USER MOD Single : A 623 SER OG : rot 180:sc= 0 USER MOD Single : A 626 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 631 SER OG : rot 180:sc= 0.203 USER MOD Single : A 632 LYS NZ :NH3+ 137:sc= 1.24 (180deg=-0.39!) USER MOD Single : A 639 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.4) USER MOD Single : A 641 GLN : amide:sc= 0.0521 K(o=0.052,f=0.61) USER MOD Single : A 646 ASN : amide:sc= -3.65! C(o=-3.6!,f=-15!) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ -141:sc= 0.862! (180deg=0.753) USER MOD Single : A 655 ASN : amide:sc= -2.75 K(o=-2.8,f=-8.9!) USER MOD Single : A 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 659 MET CE :methyl 146:sc= -2.06 (180deg=-2.39) USER MOD Single : A 661 THR OG1 : rot 85:sc= 0.231 USER MOD Single : A 665 SER OG : rot 87:sc= 1.19 USER MOD Single : A 666 MET CE :methyl -164:sc= -2.74 (180deg=-4.15!) USER MOD Single : A 667 SER OG : rot 180:sc= 0 USER MOD Single : A 668 THR OG1 : rot 85:sc= 0.0104 USER MOD Single : A 671 ASN : amide:sc= -0.0655 K(o=-0.066,f=-1.5!) USER MOD Single : A 672 LYS NZ :NH3+ -109:sc= 0.316 (180deg=-1.25) USER MOD Single : A 675 MET CE :methyl 162:sc= -0.132 (180deg=-0.57) USER MOD Single : A 677 GLN : amide:sc= -1.01 X(o=-1,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 585 -13.152 -5.573 -0.044 1.00 43.31 N ATOM 79 CA GLU A 585 -13.189 -4.696 -1.185 1.00 62.45 C ATOM 80 C GLU A 585 -12.243 -3.544 -1.012 1.00 52.35 C ATOM 81 O GLU A 585 -12.050 -3.045 0.107 1.00 2.45 O ATOM 82 CB GLU A 585 -14.606 -4.185 -1.457 1.00 11.41 C ATOM 83 CG GLU A 585 -15.176 -3.280 -0.380 1.00 1.51 C ATOM 84 CD GLU A 585 -16.555 -2.796 -0.715 1.00 72.41 C ATOM 85 OE1 GLU A 585 -16.737 -2.197 -1.790 1.00 74.35 O ATOM 86 OE2 GLU A 585 -17.467 -2.983 0.096 1.00 35.43 O ATOM 0 HA GLU A 585 -12.870 -5.279 -2.049 1.00 62.45 H new ATOM 0 HB2 GLU A 585 -14.606 -3.644 -2.403 1.00 11.41 H new ATOM 0 HB3 GLU A 585 -15.268 -5.042 -1.579 1.00 11.41 H new ATOM 0 HG2 GLU A 585 -15.202 -3.818 0.567 1.00 1.51 H new ATOM 0 HG3 GLU A 585 -14.516 -2.423 -0.242 1.00 1.51 H new ATOM 93 N PHE A 586 -11.653 -3.133 -2.103 1.00 4.03 N ATOM 94 CA PHE A 586 -10.730 -2.036 -2.103 1.00 70.13 C ATOM 95 C PHE A 586 -11.463 -0.765 -2.384 1.00 43.24 C ATOM 96 O PHE A 586 -12.239 -0.678 -3.347 1.00 73.43 O ATOM 97 CB PHE A 586 -9.617 -2.221 -3.152 1.00 32.42 C ATOM 98 CG PHE A 586 -8.646 -3.346 -2.877 1.00 22.54 C ATOM 99 CD1 PHE A 586 -8.939 -4.330 -1.956 1.00 4.52 C ATOM 100 CD2 PHE A 586 -7.434 -3.403 -3.546 1.00 32.32 C ATOM 101 CE1 PHE A 586 -8.067 -5.343 -1.701 1.00 60.44 C ATOM 102 CE2 PHE A 586 -6.545 -4.427 -3.296 1.00 5.24 C ATOM 103 CZ PHE A 586 -6.862 -5.402 -2.370 1.00 42.34 C ATOM 0 H PHE A 586 -11.802 -3.554 -3.020 1.00 4.03 H new ATOM 0 HA PHE A 586 -10.263 -1.997 -1.119 1.00 70.13 H new ATOM 0 HB2 PHE A 586 -10.082 -2.394 -4.123 1.00 32.42 H new ATOM 0 HB3 PHE A 586 -9.055 -1.290 -3.229 1.00 32.42 H new ATOM 0 HD1 PHE A 586 -9.880 -4.296 -1.426 1.00 4.52 H new ATOM 0 HD2 PHE A 586 -7.184 -2.640 -4.268 1.00 32.32 H new ATOM 0 HE1 PHE A 586 -8.318 -6.101 -0.974 1.00 60.44 H new ATOM 0 HE2 PHE A 586 -5.603 -4.467 -3.823 1.00 5.24 H new ATOM 0 HZ PHE A 586 -6.170 -6.207 -2.171 1.00 42.34 H new ATOM 113 N LEU A 587 -11.255 0.193 -1.550 1.00 4.52 N ATOM 114 CA LEU A 587 -11.820 1.487 -1.719 1.00 41.44 C ATOM 115 C LEU A 587 -10.720 2.490 -1.656 1.00 42.55 C ATOM 116 O LEU A 587 -9.867 2.447 -0.764 1.00 74.34 O ATOM 117 CB LEU A 587 -12.910 1.754 -0.684 1.00 55.15 C ATOM 118 CG LEU A 587 -14.134 0.842 -0.802 1.00 15.44 C ATOM 119 CD1 LEU A 587 -15.096 1.062 0.337 1.00 13.33 C ATOM 120 CD2 LEU A 587 -14.845 1.059 -2.126 1.00 40.42 C ATOM 0 H LEU A 587 -10.677 0.098 -0.715 1.00 4.52 H new ATOM 0 HA LEU A 587 -12.308 1.559 -2.691 1.00 41.44 H new ATOM 0 HB2 LEU A 587 -12.483 1.641 0.312 1.00 55.15 H new ATOM 0 HB3 LEU A 587 -13.235 2.790 -0.776 1.00 55.15 H new ATOM 0 HG LEU A 587 -13.777 -0.187 -0.757 1.00 15.44 H new ATOM 0 HD11 LEU A 587 -15.953 0.399 0.222 1.00 13.33 H new ATOM 0 HD12 LEU A 587 -14.596 0.849 1.282 1.00 13.33 H new ATOM 0 HD13 LEU A 587 -15.435 2.098 0.332 1.00 13.33 H new ATOM 0 HD21 LEU A 587 -15.711 0.400 -2.186 1.00 40.42 H new ATOM 0 HD22 LEU A 587 -15.173 2.096 -2.197 1.00 40.42 H new ATOM 0 HD23 LEU A 587 -14.162 0.837 -2.946 1.00 40.42 H new ATOM 132 N THR A 588 -10.716 3.353 -2.594 1.00 43.22 N ATOM 133 CA THR A 588 -9.664 4.308 -2.724 1.00 54.55 C ATOM 134 C THR A 588 -10.096 5.667 -2.187 1.00 65.24 C ATOM 135 O THR A 588 -11.115 6.215 -2.601 1.00 2.41 O ATOM 136 CB THR A 588 -9.245 4.432 -4.199 1.00 60.23 C ATOM 137 OG1 THR A 588 -8.950 3.117 -4.717 1.00 33.43 O ATOM 138 CG2 THR A 588 -8.013 5.305 -4.335 1.00 2.44 C ATOM 0 H THR A 588 -11.444 3.426 -3.305 1.00 43.22 H new ATOM 0 HA THR A 588 -8.812 3.963 -2.138 1.00 54.55 H new ATOM 0 HB THR A 588 -10.062 4.888 -4.759 1.00 60.23 H new ATOM 0 HG1 THR A 588 -8.684 3.188 -5.657 1.00 33.43 H new ATOM 0 HG21 THR A 588 -7.734 5.379 -5.386 1.00 2.44 H new ATOM 0 HG22 THR A 588 -8.227 6.300 -3.945 1.00 2.44 H new ATOM 0 HG23 THR A 588 -7.191 4.864 -3.772 1.00 2.44 H new ATOM 146 N PHE A 589 -9.338 6.181 -1.258 1.00 70.42 N ATOM 147 CA PHE A 589 -9.591 7.478 -0.701 1.00 43.31 C ATOM 148 C PHE A 589 -8.412 8.380 -0.970 1.00 24.51 C ATOM 149 O PHE A 589 -7.275 8.000 -0.743 1.00 24.23 O ATOM 150 CB PHE A 589 -9.851 7.388 0.804 1.00 1.02 C ATOM 151 CG PHE A 589 -11.076 6.610 1.110 1.00 55.21 C ATOM 152 CD1 PHE A 589 -12.280 7.011 0.587 1.00 35.22 C ATOM 153 CD2 PHE A 589 -11.029 5.471 1.887 1.00 61.53 C ATOM 154 CE1 PHE A 589 -13.418 6.312 0.826 1.00 3.22 C ATOM 155 CE2 PHE A 589 -12.176 4.750 2.136 1.00 72.05 C ATOM 156 CZ PHE A 589 -13.380 5.172 1.604 1.00 64.22 C ATOM 0 H PHE A 589 -8.524 5.708 -0.865 1.00 70.42 H new ATOM 0 HA PHE A 589 -10.482 7.891 -1.173 1.00 43.31 H new ATOM 0 HB2 PHE A 589 -8.995 6.923 1.293 1.00 1.02 H new ATOM 0 HB3 PHE A 589 -9.947 8.392 1.216 1.00 1.02 H new ATOM 0 HD1 PHE A 589 -12.322 7.899 -0.026 1.00 35.22 H new ATOM 0 HD2 PHE A 589 -10.088 5.143 2.302 1.00 61.53 H new ATOM 0 HE1 PHE A 589 -14.355 6.648 0.407 1.00 3.22 H new ATOM 0 HE2 PHE A 589 -12.135 3.859 2.744 1.00 72.05 H new ATOM 0 HZ PHE A 589 -14.285 4.614 1.796 1.00 64.22 H new ATOM 166 N GLU A 590 -8.670 9.540 -1.480 1.00 65.30 N ATOM 167 CA GLU A 590 -7.629 10.496 -1.742 1.00 0.51 C ATOM 168 C GLU A 590 -7.690 11.613 -0.743 1.00 53.20 C ATOM 169 O GLU A 590 -8.766 12.123 -0.427 1.00 45.43 O ATOM 170 CB GLU A 590 -7.666 11.002 -3.172 1.00 61.53 C ATOM 171 CG GLU A 590 -7.404 9.911 -4.187 1.00 4.24 C ATOM 172 CD GLU A 590 -7.420 10.417 -5.587 1.00 2.15 C ATOM 173 OE1 GLU A 590 -6.352 10.844 -6.088 1.00 20.24 O ATOM 174 OE2 GLU A 590 -8.498 10.410 -6.212 1.00 42.34 O ATOM 0 H GLU A 590 -9.607 9.858 -1.729 1.00 65.30 H new ATOM 0 HA GLU A 590 -6.669 9.993 -1.628 1.00 0.51 H new ATOM 0 HB2 GLU A 590 -8.640 11.449 -3.369 1.00 61.53 H new ATOM 0 HB3 GLU A 590 -6.923 11.790 -3.293 1.00 61.53 H new ATOM 0 HG2 GLU A 590 -6.437 9.453 -3.981 1.00 4.24 H new ATOM 0 HG3 GLU A 590 -8.156 9.130 -4.078 1.00 4.24 H new ATOM 181 N VAL A 591 -6.555 11.972 -0.243 1.00 24.54 N ATOM 182 CA VAL A 591 -6.437 12.923 0.820 1.00 72.04 C ATOM 183 C VAL A 591 -5.515 14.017 0.380 1.00 1.21 C ATOM 184 O VAL A 591 -4.372 13.760 0.060 1.00 21.42 O ATOM 185 CB VAL A 591 -5.810 12.248 2.074 1.00 41.05 C ATOM 186 CG1 VAL A 591 -5.670 13.222 3.228 1.00 61.34 C ATOM 187 CG2 VAL A 591 -6.610 11.049 2.500 1.00 35.30 C ATOM 0 H VAL A 591 -5.660 11.605 -0.568 1.00 24.54 H new ATOM 0 HA VAL A 591 -7.426 13.311 1.064 1.00 72.04 H new ATOM 0 HB VAL A 591 -4.810 11.918 1.791 1.00 41.05 H new ATOM 0 HG11 VAL A 591 -5.228 12.711 4.084 1.00 61.34 H new ATOM 0 HG12 VAL A 591 -5.028 14.051 2.929 1.00 61.34 H new ATOM 0 HG13 VAL A 591 -6.653 13.605 3.502 1.00 61.34 H new ATOM 0 HG21 VAL A 591 -6.149 10.597 3.378 1.00 35.30 H new ATOM 0 HG22 VAL A 591 -7.627 11.358 2.742 1.00 35.30 H new ATOM 0 HG23 VAL A 591 -6.635 10.321 1.689 1.00 35.30 H new ATOM 197 N PRO A 592 -5.980 15.227 0.295 1.00 20.40 N ATOM 198 CA PRO A 592 -5.117 16.330 0.022 1.00 53.30 C ATOM 199 C PRO A 592 -4.400 16.722 1.302 1.00 53.24 C ATOM 200 O PRO A 592 -4.951 16.571 2.402 1.00 14.23 O ATOM 201 CB PRO A 592 -6.064 17.426 -0.441 1.00 53.32 C ATOM 202 CG PRO A 592 -7.346 17.122 0.242 1.00 14.13 C ATOM 203 CD PRO A 592 -7.388 15.631 0.445 1.00 23.01 C ATOM 0 HA PRO A 592 -4.348 16.120 -0.721 1.00 53.30 H new ATOM 0 HB2 PRO A 592 -5.693 18.413 -0.167 1.00 53.32 H new ATOM 0 HB3 PRO A 592 -6.180 17.419 -1.525 1.00 53.32 H new ATOM 0 HG2 PRO A 592 -7.409 17.644 1.197 1.00 14.13 H new ATOM 0 HG3 PRO A 592 -8.192 17.454 -0.359 1.00 14.13 H new ATOM 0 HD2 PRO A 592 -7.778 15.370 1.429 1.00 23.01 H new ATOM 0 HD3 PRO A 592 -8.027 15.143 -0.291 1.00 23.01 H new ATOM 211 N LEU A 593 -3.190 17.183 1.185 1.00 75.11 N ATOM 212 CA LEU A 593 -2.442 17.584 2.352 1.00 22.25 C ATOM 213 C LEU A 593 -2.899 18.934 2.804 1.00 64.22 C ATOM 214 O LEU A 593 -2.331 19.967 2.453 1.00 3.23 O ATOM 215 CB LEU A 593 -0.903 17.517 2.164 1.00 71.34 C ATOM 216 CG LEU A 593 -0.248 16.110 2.127 1.00 22.22 C ATOM 217 CD1 LEU A 593 -0.455 15.382 3.440 1.00 64.42 C ATOM 218 CD2 LEU A 593 -0.768 15.271 0.974 1.00 43.42 C ATOM 0 H LEU A 593 -2.696 17.293 0.299 1.00 75.11 H new ATOM 0 HA LEU A 593 -2.652 16.857 3.136 1.00 22.25 H new ATOM 0 HB2 LEU A 593 -0.655 18.029 1.234 1.00 71.34 H new ATOM 0 HB3 LEU A 593 -0.440 18.083 2.972 1.00 71.34 H new ATOM 0 HG LEU A 593 0.820 16.260 1.972 1.00 22.22 H new ATOM 0 HD11 LEU A 593 0.013 14.399 3.389 1.00 64.42 H new ATOM 0 HD12 LEU A 593 -0.005 15.957 4.249 1.00 64.42 H new ATOM 0 HD13 LEU A 593 -1.522 15.266 3.627 1.00 64.42 H new ATOM 0 HD21 LEU A 593 -0.283 14.295 0.986 1.00 43.42 H new ATOM 0 HD22 LEU A 593 -1.846 15.142 1.075 1.00 43.42 H new ATOM 0 HD23 LEU A 593 -0.549 15.773 0.031 1.00 43.42 H new ATOM 230 N ASN A 594 -3.994 18.921 3.497 1.00 32.44 N ATOM 231 CA ASN A 594 -4.607 20.144 3.986 1.00 25.12 C ATOM 232 C ASN A 594 -4.763 20.110 5.484 1.00 10.11 C ATOM 233 O ASN A 594 -5.391 19.193 6.030 1.00 50.22 O ATOM 234 CB ASN A 594 -5.986 20.394 3.346 1.00 42.43 C ATOM 235 CG ASN A 594 -5.987 20.572 1.823 1.00 54.42 C ATOM 236 OD1 ASN A 594 -6.975 20.240 1.159 1.00 34.32 O ATOM 237 ND2 ASN A 594 -4.919 21.097 1.264 1.00 74.35 N ATOM 0 H ASN A 594 -4.498 18.070 3.747 1.00 32.44 H new ATOM 0 HA ASN A 594 -3.939 20.958 3.705 1.00 25.12 H new ATOM 0 HB2 ASN A 594 -6.640 19.559 3.597 1.00 42.43 H new ATOM 0 HB3 ASN A 594 -6.420 21.286 3.798 1.00 42.43 H new ATOM 0 HD21 ASN A 594 -4.890 21.241 0.255 1.00 74.35 H new ATOM 0 HD22 ASN A 594 -4.119 21.361 1.840 1.00 74.35 H new ATOM 244 N ASP A 595 -4.116 21.074 6.154 1.00 11.42 N ATOM 245 CA ASP A 595 -4.195 21.310 7.626 1.00 13.11 C ATOM 246 C ASP A 595 -3.467 20.225 8.403 1.00 53.14 C ATOM 247 O ASP A 595 -3.208 20.338 9.605 1.00 23.12 O ATOM 248 CB ASP A 595 -5.655 21.469 8.100 1.00 42.51 C ATOM 249 CG ASP A 595 -5.771 21.891 9.556 1.00 13.02 C ATOM 250 OD1 ASP A 595 -5.600 23.096 9.854 1.00 51.03 O ATOM 251 OD2 ASP A 595 -6.051 21.040 10.420 1.00 40.51 O ATOM 0 H ASP A 595 -3.501 21.738 5.684 1.00 11.42 H new ATOM 0 HA ASP A 595 -3.687 22.252 7.832 1.00 13.11 H new ATOM 0 HB2 ASP A 595 -6.155 22.208 7.474 1.00 42.51 H new ATOM 0 HB3 ASP A 595 -6.180 20.524 7.960 1.00 42.51 H new ATOM 256 N SER A 596 -3.118 19.192 7.705 1.00 23.54 N ATOM 257 CA SER A 596 -2.412 18.109 8.246 1.00 32.34 C ATOM 258 C SER A 596 -0.947 18.453 8.284 1.00 11.03 C ATOM 259 O SER A 596 -0.262 18.495 7.258 1.00 12.21 O ATOM 260 CB SER A 596 -2.691 16.867 7.425 1.00 23.32 C ATOM 261 OG SER A 596 -4.107 16.648 7.336 1.00 50.45 O ATOM 0 H SER A 596 -3.330 19.090 6.713 1.00 23.54 H new ATOM 0 HA SER A 596 -2.735 17.904 9.267 1.00 32.34 H new ATOM 0 HB2 SER A 596 -2.268 16.978 6.427 1.00 23.32 H new ATOM 0 HB3 SER A 596 -2.209 16.003 7.881 1.00 23.32 H new ATOM 0 HG SER A 596 -4.543 16.993 8.143 1.00 50.45 H new ATOM 267 N GLY A 597 -0.516 18.788 9.453 1.00 53.21 N ATOM 268 CA GLY A 597 0.851 19.117 9.690 1.00 55.44 C ATOM 269 C GLY A 597 1.338 18.373 10.884 1.00 35.22 C ATOM 270 O GLY A 597 2.458 17.857 10.899 1.00 15.32 O ATOM 0 H GLY A 597 -1.109 18.842 10.281 1.00 53.21 H new ATOM 0 HA2 GLY A 597 1.454 18.863 8.818 1.00 55.44 H new ATOM 0 HA3 GLY A 597 0.956 20.190 9.849 1.00 55.44 H new ATOM 274 N SER A 598 0.473 18.287 11.885 1.00 25.53 N ATOM 275 CA SER A 598 0.760 17.567 13.100 1.00 51.40 C ATOM 276 C SER A 598 0.714 16.079 12.825 1.00 73.54 C ATOM 277 O SER A 598 1.285 15.270 13.552 1.00 32.41 O ATOM 278 CB SER A 598 -0.248 17.952 14.166 1.00 45.22 C ATOM 279 OG SER A 598 -0.309 19.364 14.298 1.00 10.21 O ATOM 0 H SER A 598 -0.450 18.720 11.869 1.00 25.53 H new ATOM 0 HA SER A 598 1.757 17.823 13.459 1.00 51.40 H new ATOM 0 HB2 SER A 598 -1.231 17.561 13.904 1.00 45.22 H new ATOM 0 HB3 SER A 598 0.030 17.502 15.119 1.00 45.22 H new ATOM 0 HG SER A 598 -0.964 19.600 14.988 1.00 10.21 H new ATOM 285 N ALA A 599 0.037 15.743 11.783 1.00 45.32 N ATOM 286 CA ALA A 599 -0.052 14.435 11.307 1.00 74.42 C ATOM 287 C ALA A 599 -0.041 14.550 9.827 1.00 4.24 C ATOM 288 O ALA A 599 -0.429 15.587 9.296 1.00 21.22 O ATOM 289 CB ALA A 599 -1.325 13.779 11.788 1.00 72.00 C ATOM 0 H ALA A 599 -0.489 16.415 11.224 1.00 45.32 H new ATOM 0 HA ALA A 599 0.770 13.816 11.666 1.00 74.42 H new ATOM 0 HB1 ALA A 599 -1.376 12.759 11.406 1.00 72.00 H new ATOM 0 HB2 ALA A 599 -1.335 13.759 12.878 1.00 72.00 H new ATOM 0 HB3 ALA A 599 -2.184 14.345 11.428 1.00 72.00 H new ATOM 295 N GLY A 600 0.410 13.555 9.180 1.00 15.44 N ATOM 296 CA GLY A 600 0.480 13.571 7.748 1.00 1.35 C ATOM 297 C GLY A 600 -0.871 13.344 7.170 1.00 44.53 C ATOM 298 O GLY A 600 -1.340 14.108 6.342 1.00 52.12 O ATOM 0 H GLY A 600 0.747 12.695 9.613 1.00 15.44 H new ATOM 0 HA2 GLY A 600 0.875 14.528 7.406 1.00 1.35 H new ATOM 0 HA3 GLY A 600 1.167 12.800 7.401 1.00 1.35 H new ATOM 302 N LEU A 601 -1.502 12.288 7.607 1.00 2.23 N ATOM 303 CA LEU A 601 -2.848 11.995 7.196 1.00 72.03 C ATOM 304 C LEU A 601 -3.739 12.115 8.390 1.00 72.41 C ATOM 305 O LEU A 601 -4.895 12.542 8.292 1.00 64.12 O ATOM 306 CB LEU A 601 -2.981 10.581 6.611 1.00 21.43 C ATOM 307 CG LEU A 601 -2.096 10.232 5.420 1.00 1.41 C ATOM 308 CD1 LEU A 601 -2.631 9.023 4.692 1.00 70.21 C ATOM 309 CD2 LEU A 601 -1.940 11.384 4.479 1.00 13.22 C ATOM 0 H LEU A 601 -1.100 11.610 8.254 1.00 2.23 H new ATOM 0 HA LEU A 601 -3.129 12.701 6.415 1.00 72.03 H new ATOM 0 HB2 LEU A 601 -2.773 9.866 7.407 1.00 21.43 H new ATOM 0 HB3 LEU A 601 -4.020 10.435 6.314 1.00 21.43 H new ATOM 0 HG LEU A 601 -1.107 9.996 5.813 1.00 1.41 H new ATOM 0 HD11 LEU A 601 -1.984 8.792 3.846 1.00 70.21 H new ATOM 0 HD12 LEU A 601 -2.658 8.171 5.372 1.00 70.21 H new ATOM 0 HD13 LEU A 601 -3.639 9.231 4.332 1.00 70.21 H new ATOM 0 HD21 LEU A 601 -1.302 11.089 3.646 1.00 13.22 H new ATOM 0 HD22 LEU A 601 -2.918 11.679 4.100 1.00 13.22 H new ATOM 0 HD23 LEU A 601 -1.486 12.224 5.004 1.00 13.22 H new ATOM 321 N GLY A 602 -3.192 11.727 9.513 1.00 31.01 N ATOM 322 CA GLY A 602 -3.877 11.760 10.735 1.00 3.32 C ATOM 323 C GLY A 602 -4.578 10.481 10.970 1.00 34.34 C ATOM 324 O GLY A 602 -5.785 10.438 11.204 1.00 12.42 O ATOM 0 H GLY A 602 -2.237 11.376 9.582 1.00 31.01 H new ATOM 0 HA2 GLY A 602 -3.175 11.951 11.547 1.00 3.32 H new ATOM 0 HA3 GLY A 602 -4.595 12.580 10.734 1.00 3.32 H new ATOM 328 N VAL A 603 -3.837 9.412 10.855 1.00 35.15 N ATOM 329 CA VAL A 603 -4.333 8.115 11.172 1.00 43.32 C ATOM 330 C VAL A 603 -3.206 7.390 11.874 1.00 10.05 C ATOM 331 O VAL A 603 -2.037 7.694 11.648 1.00 71.52 O ATOM 332 CB VAL A 603 -4.718 7.288 9.888 1.00 33.40 C ATOM 333 CG1 VAL A 603 -5.446 6.015 10.250 1.00 53.13 C ATOM 334 CG2 VAL A 603 -5.515 8.100 8.877 1.00 14.12 C ATOM 0 H VAL A 603 -2.868 9.424 10.536 1.00 35.15 H new ATOM 0 HA VAL A 603 -5.232 8.214 11.780 1.00 43.32 H new ATOM 0 HB VAL A 603 -3.778 7.021 9.405 1.00 33.40 H new ATOM 0 HG11 VAL A 603 -5.697 5.468 9.341 1.00 53.13 H new ATOM 0 HG12 VAL A 603 -4.807 5.397 10.880 1.00 53.13 H new ATOM 0 HG13 VAL A 603 -6.360 6.260 10.790 1.00 53.13 H new ATOM 0 HG21 VAL A 603 -5.751 7.477 8.014 1.00 14.12 H new ATOM 0 HG22 VAL A 603 -6.440 8.447 9.337 1.00 14.12 H new ATOM 0 HG23 VAL A 603 -4.926 8.958 8.554 1.00 14.12 H new ATOM 344 N SER A 604 -3.529 6.478 12.714 1.00 33.43 N ATOM 345 CA SER A 604 -2.544 5.658 13.303 1.00 13.32 C ATOM 346 C SER A 604 -2.746 4.283 12.767 1.00 73.43 C ATOM 347 O SER A 604 -3.882 3.784 12.735 1.00 21.01 O ATOM 348 CB SER A 604 -2.664 5.646 14.825 1.00 44.45 C ATOM 349 OG SER A 604 -2.582 6.956 15.357 1.00 50.11 O ATOM 0 H SER A 604 -4.485 6.281 13.011 1.00 33.43 H new ATOM 0 HA SER A 604 -1.551 6.038 13.064 1.00 13.32 H new ATOM 0 HB2 SER A 604 -3.612 5.192 15.114 1.00 44.45 H new ATOM 0 HB3 SER A 604 -1.873 5.028 15.250 1.00 44.45 H new ATOM 0 HG SER A 604 -2.664 6.918 16.333 1.00 50.11 H new ATOM 355 N VAL A 605 -1.708 3.682 12.337 1.00 13.31 N ATOM 356 CA VAL A 605 -1.766 2.358 11.838 1.00 41.23 C ATOM 357 C VAL A 605 -0.816 1.454 12.542 1.00 32.22 C ATOM 358 O VAL A 605 0.080 1.897 13.246 1.00 71.12 O ATOM 359 CB VAL A 605 -1.504 2.246 10.338 1.00 42.41 C ATOM 360 CG1 VAL A 605 -2.697 2.691 9.517 1.00 12.30 C ATOM 361 CG2 VAL A 605 -0.265 3.023 9.913 1.00 64.33 C ATOM 0 H VAL A 605 -0.777 4.098 12.319 1.00 13.31 H new ATOM 0 HA VAL A 605 -2.794 2.051 12.028 1.00 41.23 H new ATOM 0 HB VAL A 605 -1.329 1.188 10.143 1.00 42.41 H new ATOM 0 HG11 VAL A 605 -2.465 2.594 8.456 1.00 12.30 H new ATOM 0 HG12 VAL A 605 -3.558 2.068 9.759 1.00 12.30 H new ATOM 0 HG13 VAL A 605 -2.927 3.732 9.745 1.00 12.30 H new ATOM 0 HG21 VAL A 605 -0.118 2.914 8.838 1.00 64.33 H new ATOM 0 HG22 VAL A 605 -0.395 4.077 10.157 1.00 64.33 H new ATOM 0 HG23 VAL A 605 0.607 2.634 10.439 1.00 64.33 H new ATOM 371 N LYS A 606 -1.032 0.203 12.365 1.00 13.43 N ATOM 372 CA LYS A 606 -0.202 -0.824 12.914 1.00 25.10 C ATOM 373 C LYS A 606 -0.204 -2.012 12.009 1.00 65.55 C ATOM 374 O LYS A 606 -1.155 -2.232 11.281 1.00 53.32 O ATOM 375 CB LYS A 606 -0.599 -1.233 14.332 1.00 5.34 C ATOM 376 CG LYS A 606 -1.992 -1.803 14.480 1.00 45.23 C ATOM 377 CD LYS A 606 -2.197 -2.285 15.897 1.00 1.43 C ATOM 378 CE LYS A 606 -3.611 -2.792 16.140 1.00 44.42 C ATOM 379 NZ LYS A 606 -3.979 -3.909 15.248 1.00 45.45 N ATOM 0 H LYS A 606 -1.815 -0.154 11.817 1.00 13.43 H new ATOM 0 HA LYS A 606 0.804 -0.412 12.988 1.00 25.10 H new ATOM 0 HB2 LYS A 606 0.117 -1.972 14.692 1.00 5.34 H new ATOM 0 HB3 LYS A 606 -0.511 -0.361 14.981 1.00 5.34 H new ATOM 0 HG2 LYS A 606 -2.734 -1.044 14.233 1.00 45.23 H new ATOM 0 HG3 LYS A 606 -2.134 -2.627 13.781 1.00 45.23 H new ATOM 0 HD2 LYS A 606 -1.486 -3.083 16.113 1.00 1.43 H new ATOM 0 HD3 LYS A 606 -1.982 -1.471 16.589 1.00 1.43 H new ATOM 0 HE2 LYS A 606 -3.703 -3.115 17.177 1.00 44.42 H new ATOM 0 HE3 LYS A 606 -4.315 -1.972 15.998 1.00 44.42 H new ATOM 0 HZ1 LYS A 606 -4.419 -4.668 15.806 1.00 45.45 H new ATOM 0 HZ2 LYS A 606 -4.652 -3.573 14.530 1.00 45.45 H new ATOM 0 HZ3 LYS A 606 -3.126 -4.274 14.779 1.00 45.45 H new ATOM 393 N GLY A 607 0.837 -2.749 12.037 1.00 14.54 N ATOM 394 CA GLY A 607 0.934 -3.890 11.203 1.00 41.02 C ATOM 395 C GLY A 607 0.941 -5.139 12.000 1.00 62.23 C ATOM 396 O GLY A 607 1.798 -5.337 12.855 1.00 53.11 O ATOM 0 H GLY A 607 1.646 -2.583 12.635 1.00 14.54 H new ATOM 0 HA2 GLY A 607 0.097 -3.906 10.505 1.00 41.02 H new ATOM 0 HA3 GLY A 607 1.845 -3.831 10.607 1.00 41.02 H new ATOM 400 N ASN A 608 0.007 -5.984 11.723 1.00 13.41 N ATOM 401 CA ASN A 608 -0.119 -7.222 12.434 1.00 33.24 C ATOM 402 C ASN A 608 0.576 -8.321 11.720 1.00 3.55 C ATOM 403 O ASN A 608 0.535 -8.418 10.487 1.00 54.15 O ATOM 404 CB ASN A 608 -1.585 -7.603 12.674 1.00 3.23 C ATOM 405 CG ASN A 608 -2.236 -6.823 13.790 1.00 43.21 C ATOM 406 OD1 ASN A 608 -2.771 -5.741 13.589 1.00 11.42 O ATOM 407 ND2 ASN A 608 -2.213 -7.387 14.978 1.00 10.32 N ATOM 0 H ASN A 608 -0.695 -5.841 10.997 1.00 13.41 H new ATOM 0 HA ASN A 608 0.354 -7.074 13.405 1.00 33.24 H new ATOM 0 HB2 ASN A 608 -2.148 -7.445 11.754 1.00 3.23 H new ATOM 0 HB3 ASN A 608 -1.642 -8.667 12.904 1.00 3.23 H new ATOM 0 HD21 ASN A 608 -2.652 -6.921 15.772 1.00 10.32 H new ATOM 0 HD22 ASN A 608 -1.757 -8.290 15.105 1.00 10.32 H new ATOM 414 N ARG A 609 1.232 -9.128 12.469 1.00 24.13 N ATOM 415 CA ARG A 609 1.873 -10.277 11.954 1.00 71.10 C ATOM 416 C ARG A 609 1.476 -11.425 12.796 1.00 71.45 C ATOM 417 O ARG A 609 1.610 -11.372 14.021 1.00 53.54 O ATOM 418 CB ARG A 609 3.405 -10.104 11.884 1.00 54.15 C ATOM 419 CG ARG A 609 4.156 -11.350 11.404 1.00 13.21 C ATOM 420 CD ARG A 609 5.640 -11.074 11.171 1.00 25.33 C ATOM 421 NE ARG A 609 6.346 -10.587 12.366 1.00 10.21 N ATOM 422 CZ ARG A 609 7.567 -10.004 12.335 1.00 73.33 C ATOM 423 NH1 ARG A 609 8.215 -9.852 11.170 1.00 62.34 N ATOM 424 NH2 ARG A 609 8.141 -9.593 13.459 1.00 51.21 N ATOM 0 H ARG A 609 1.340 -9.005 13.476 1.00 24.13 H new ATOM 0 HA ARG A 609 1.560 -10.449 10.924 1.00 71.10 H new ATOM 0 HB2 ARG A 609 3.636 -9.274 11.216 1.00 54.15 H new ATOM 0 HB3 ARG A 609 3.774 -9.829 12.872 1.00 54.15 H new ATOM 0 HG2 ARG A 609 4.047 -12.145 12.142 1.00 13.21 H new ATOM 0 HG3 ARG A 609 3.705 -11.710 10.479 1.00 13.21 H new ATOM 0 HD2 ARG A 609 6.120 -11.989 10.824 1.00 25.33 H new ATOM 0 HD3 ARG A 609 5.743 -10.338 10.374 1.00 25.33 H new ATOM 0 HE ARG A 609 5.888 -10.695 13.271 1.00 10.21 H new ATOM 0 HH11 ARG A 609 7.788 -10.176 10.303 1.00 62.34 H new ATOM 0 HH12 ARG A 609 9.135 -9.412 11.152 1.00 62.34 H new ATOM 0 HH21 ARG A 609 7.662 -9.716 14.351 1.00 51.21 H new ATOM 0 HH22 ARG A 609 9.061 -9.154 13.431 1.00 51.21 H new ATOM 438 N SER A 610 0.953 -12.440 12.166 1.00 4.34 N ATOM 439 CA SER A 610 0.517 -13.600 12.891 1.00 45.34 C ATOM 440 C SER A 610 1.712 -14.290 13.486 1.00 42.44 C ATOM 441 O SER A 610 2.673 -14.577 12.787 1.00 53.23 O ATOM 442 CB SER A 610 -0.247 -14.575 11.984 1.00 65.31 C ATOM 443 OG SER A 610 0.531 -14.947 10.874 1.00 23.35 O ATOM 0 H SER A 610 0.819 -12.488 11.156 1.00 4.34 H new ATOM 0 HA SER A 610 -0.161 -13.277 13.681 1.00 45.34 H new ATOM 0 HB2 SER A 610 -0.525 -15.463 12.552 1.00 65.31 H new ATOM 0 HB3 SER A 610 -1.173 -14.111 11.644 1.00 65.31 H new ATOM 0 HG SER A 610 0.577 -14.200 10.242 1.00 23.35 H new ATOM 518 N ALA A 615 3.062 -15.252 9.204 1.00 1.43 N ATOM 519 CA ALA A 615 2.894 -14.397 8.060 1.00 4.13 C ATOM 520 C ALA A 615 2.324 -13.075 8.522 1.00 61.42 C ATOM 521 O ALA A 615 1.600 -13.019 9.524 1.00 4.42 O ATOM 522 CB ALA A 615 1.963 -15.050 7.047 1.00 45.11 C ATOM 0 HA ALA A 615 3.858 -14.232 7.578 1.00 4.13 H new ATOM 0 HB1 ALA A 615 1.844 -14.393 6.186 1.00 45.11 H new ATOM 0 HB2 ALA A 615 2.387 -16.000 6.723 1.00 45.11 H new ATOM 0 HB3 ALA A 615 0.990 -15.225 7.507 1.00 45.11 H new ATOM 528 N ASP A 616 2.637 -12.020 7.850 1.00 54.31 N ATOM 529 CA ASP A 616 2.112 -10.766 8.228 1.00 35.32 C ATOM 530 C ASP A 616 0.772 -10.562 7.595 1.00 43.12 C ATOM 531 O ASP A 616 0.528 -10.976 6.461 1.00 63.22 O ATOM 532 CB ASP A 616 3.082 -9.612 7.972 1.00 60.12 C ATOM 533 CG ASP A 616 3.442 -9.424 6.537 1.00 21.11 C ATOM 534 OD1 ASP A 616 4.227 -10.233 6.008 1.00 22.33 O ATOM 535 OD2 ASP A 616 2.966 -8.467 5.932 1.00 15.43 O ATOM 0 H ASP A 616 3.254 -12.007 7.038 1.00 54.31 H new ATOM 0 HA ASP A 616 1.973 -10.769 9.309 1.00 35.32 H new ATOM 0 HB2 ASP A 616 2.639 -8.690 8.348 1.00 60.12 H new ATOM 0 HB3 ASP A 616 3.994 -9.784 8.544 1.00 60.12 H new ATOM 540 N LEU A 617 -0.113 -9.977 8.345 1.00 53.14 N ATOM 541 CA LEU A 617 -1.475 -9.795 7.919 1.00 60.12 C ATOM 542 C LEU A 617 -1.603 -8.480 7.184 1.00 74.40 C ATOM 543 O LEU A 617 -2.603 -8.221 6.520 1.00 20.52 O ATOM 544 CB LEU A 617 -2.407 -9.823 9.140 1.00 2.55 C ATOM 545 CG LEU A 617 -2.344 -11.082 10.021 1.00 21.11 C ATOM 546 CD1 LEU A 617 -3.306 -10.962 11.191 1.00 31.32 C ATOM 547 CD2 LEU A 617 -2.646 -12.337 9.210 1.00 44.31 C ATOM 0 H LEU A 617 0.087 -9.609 9.275 1.00 53.14 H new ATOM 0 HA LEU A 617 -1.760 -10.603 7.245 1.00 60.12 H new ATOM 0 HB2 LEU A 617 -2.179 -8.958 9.763 1.00 2.55 H new ATOM 0 HB3 LEU A 617 -3.432 -9.702 8.790 1.00 2.55 H new ATOM 0 HG LEU A 617 -1.330 -11.168 10.410 1.00 21.11 H new ATOM 0 HD11 LEU A 617 -3.248 -11.862 11.804 1.00 31.32 H new ATOM 0 HD12 LEU A 617 -3.039 -10.094 11.794 1.00 31.32 H new ATOM 0 HD13 LEU A 617 -4.322 -10.844 10.816 1.00 31.32 H new ATOM 0 HD21 LEU A 617 -2.594 -13.211 9.859 1.00 44.31 H new ATOM 0 HD22 LEU A 617 -3.646 -12.262 8.782 1.00 44.31 H new ATOM 0 HD23 LEU A 617 -1.914 -12.437 8.408 1.00 44.31 H new ATOM 559 N GLY A 618 -0.575 -7.674 7.297 1.00 25.03 N ATOM 560 CA GLY A 618 -0.570 -6.383 6.637 1.00 31.22 C ATOM 561 C GLY A 618 -0.707 -5.219 7.609 1.00 4.12 C ATOM 562 O GLY A 618 -0.568 -5.399 8.828 1.00 63.12 O ATOM 0 H GLY A 618 0.266 -7.884 7.835 1.00 25.03 H new ATOM 0 HA2 GLY A 618 0.357 -6.272 6.074 1.00 31.22 H new ATOM 0 HA3 GLY A 618 -1.387 -6.346 5.916 1.00 31.22 H new ATOM 566 N ILE A 619 -0.972 -4.036 7.069 1.00 42.40 N ATOM 567 CA ILE A 619 -1.108 -2.803 7.853 1.00 23.03 C ATOM 568 C ILE A 619 -2.574 -2.494 8.080 1.00 1.54 C ATOM 569 O ILE A 619 -3.366 -2.504 7.142 1.00 61.43 O ATOM 570 CB ILE A 619 -0.460 -1.602 7.108 1.00 64.32 C ATOM 571 CG1 ILE A 619 0.999 -1.904 6.797 1.00 43.11 C ATOM 572 CG2 ILE A 619 -0.568 -0.318 7.931 1.00 42.12 C ATOM 573 CD1 ILE A 619 1.815 -2.203 8.021 1.00 44.44 C ATOM 0 H ILE A 619 -1.101 -3.898 6.067 1.00 42.40 H new ATOM 0 HA ILE A 619 -0.602 -2.953 8.807 1.00 23.03 H new ATOM 0 HB ILE A 619 -1.001 -1.451 6.174 1.00 64.32 H new ATOM 0 HG12 ILE A 619 1.050 -2.755 6.117 1.00 43.11 H new ATOM 0 HG13 ILE A 619 1.436 -1.053 6.276 1.00 43.11 H new ATOM 0 HG21 ILE A 619 -0.106 0.504 7.385 1.00 42.12 H new ATOM 0 HG22 ILE A 619 -1.618 -0.089 8.112 1.00 42.12 H new ATOM 0 HG23 ILE A 619 -0.057 -0.453 8.884 1.00 42.12 H new ATOM 0 HD11 ILE A 619 2.845 -2.410 7.730 1.00 44.44 H new ATOM 0 HD12 ILE A 619 1.793 -1.344 8.692 1.00 44.44 H new ATOM 0 HD13 ILE A 619 1.401 -3.073 8.531 1.00 44.44 H new ATOM 585 N PHE A 620 -2.929 -2.214 9.309 1.00 14.23 N ATOM 586 CA PHE A 620 -4.290 -1.935 9.666 1.00 2.04 C ATOM 587 C PHE A 620 -4.375 -0.669 10.482 1.00 44.04 C ATOM 588 O PHE A 620 -3.474 -0.359 11.259 1.00 64.12 O ATOM 589 CB PHE A 620 -4.871 -3.074 10.493 1.00 41.32 C ATOM 590 CG PHE A 620 -4.828 -4.401 9.829 1.00 13.44 C ATOM 591 CD1 PHE A 620 -5.828 -4.784 8.952 1.00 32.10 C ATOM 592 CD2 PHE A 620 -3.787 -5.278 10.088 1.00 2.35 C ATOM 593 CE1 PHE A 620 -5.789 -6.014 8.344 1.00 31.13 C ATOM 594 CE2 PHE A 620 -3.747 -6.506 9.486 1.00 64.42 C ATOM 595 CZ PHE A 620 -4.748 -6.879 8.612 1.00 4.05 C ATOM 0 H PHE A 620 -2.276 -2.174 10.091 1.00 14.23 H new ATOM 0 HA PHE A 620 -4.856 -1.821 8.741 1.00 2.04 H new ATOM 0 HB2 PHE A 620 -4.327 -3.136 11.436 1.00 41.32 H new ATOM 0 HB3 PHE A 620 -5.907 -2.837 10.737 1.00 41.32 H new ATOM 0 HD1 PHE A 620 -6.646 -4.110 8.744 1.00 32.10 H new ATOM 0 HD2 PHE A 620 -3.001 -4.990 10.770 1.00 2.35 H new ATOM 0 HE1 PHE A 620 -6.571 -6.304 7.658 1.00 31.13 H new ATOM 0 HE2 PHE A 620 -2.932 -7.183 9.695 1.00 64.42 H new ATOM 0 HZ PHE A 620 -4.716 -7.849 8.138 1.00 4.05 H new ATOM 605 N VAL A 621 -5.433 0.067 10.288 1.00 21.34 N ATOM 606 CA VAL A 621 -5.710 1.254 11.083 1.00 75.14 C ATOM 607 C VAL A 621 -5.983 0.869 12.537 1.00 72.14 C ATOM 608 O VAL A 621 -6.740 -0.039 12.808 1.00 43.31 O ATOM 609 CB VAL A 621 -6.924 2.032 10.525 1.00 11.44 C ATOM 610 CG1 VAL A 621 -7.245 3.233 11.390 1.00 10.11 C ATOM 611 CG2 VAL A 621 -6.659 2.469 9.103 1.00 41.14 C ATOM 0 H VAL A 621 -6.136 -0.131 9.575 1.00 21.34 H new ATOM 0 HA VAL A 621 -4.830 1.896 11.033 1.00 75.14 H new ATOM 0 HB VAL A 621 -7.786 1.365 10.535 1.00 11.44 H new ATOM 0 HG11 VAL A 621 -8.103 3.762 10.974 1.00 10.11 H new ATOM 0 HG12 VAL A 621 -7.479 2.901 12.402 1.00 10.11 H new ATOM 0 HG13 VAL A 621 -6.385 3.902 11.417 1.00 10.11 H new ATOM 0 HG21 VAL A 621 -7.522 3.015 8.723 1.00 41.14 H new ATOM 0 HG22 VAL A 621 -5.781 3.115 9.078 1.00 41.14 H new ATOM 0 HG23 VAL A 621 -6.482 1.592 8.480 1.00 41.14 H new ATOM 621 N LYS A 622 -5.354 1.541 13.447 1.00 15.04 N ATOM 622 CA LYS A 622 -5.567 1.294 14.861 1.00 14.10 C ATOM 623 C LYS A 622 -6.402 2.410 15.488 1.00 63.22 C ATOM 624 O LYS A 622 -7.248 2.162 16.335 1.00 62.04 O ATOM 625 CB LYS A 622 -4.228 1.131 15.591 1.00 21.33 C ATOM 626 CG LYS A 622 -3.253 2.221 15.243 1.00 13.05 C ATOM 627 CD LYS A 622 -1.968 2.188 16.020 1.00 1.44 C ATOM 628 CE LYS A 622 -2.250 2.443 17.511 1.00 43.20 C ATOM 629 NZ LYS A 622 -1.041 2.741 18.310 1.00 31.33 N ATOM 0 H LYS A 622 -4.677 2.277 13.245 1.00 15.04 H new ATOM 0 HA LYS A 622 -6.123 0.362 14.965 1.00 14.10 H new ATOM 0 HB2 LYS A 622 -4.401 1.131 16.667 1.00 21.33 H new ATOM 0 HB3 LYS A 622 -3.794 0.164 15.338 1.00 21.33 H new ATOM 0 HG2 LYS A 622 -3.020 2.155 14.180 1.00 13.05 H new ATOM 0 HG3 LYS A 622 -3.735 3.185 15.405 1.00 13.05 H new ATOM 0 HD2 LYS A 622 -1.481 1.221 15.893 1.00 1.44 H new ATOM 0 HD3 LYS A 622 -1.282 2.943 15.637 1.00 1.44 H new ATOM 0 HE2 LYS A 622 -2.947 3.276 17.601 1.00 43.20 H new ATOM 0 HE3 LYS A 622 -2.744 1.567 17.932 1.00 43.20 H new ATOM 0 HZ1 LYS A 622 -1.321 3.161 19.219 1.00 31.33 H new ATOM 0 HZ2 LYS A 622 -0.513 1.862 18.482 1.00 31.33 H new ATOM 0 HZ3 LYS A 622 -0.438 3.410 17.791 1.00 31.33 H new ATOM 643 N SER A 623 -6.163 3.634 15.062 1.00 40.35 N ATOM 644 CA SER A 623 -6.884 4.765 15.583 1.00 21.12 C ATOM 645 C SER A 623 -7.012 5.825 14.509 1.00 41.42 C ATOM 646 O SER A 623 -6.052 6.093 13.776 1.00 11.40 O ATOM 647 CB SER A 623 -6.172 5.332 16.835 1.00 40.53 C ATOM 648 OG SER A 623 -6.889 6.425 17.409 1.00 52.45 O ATOM 0 H SER A 623 -5.469 3.866 14.351 1.00 40.35 H new ATOM 0 HA SER A 623 -7.882 4.446 15.882 1.00 21.12 H new ATOM 0 HB2 SER A 623 -6.060 4.542 17.577 1.00 40.53 H new ATOM 0 HB3 SER A 623 -5.168 5.659 16.564 1.00 40.53 H new ATOM 0 HG SER A 623 -6.408 6.754 18.197 1.00 52.45 H new ATOM 654 N ILE A 624 -8.187 6.389 14.385 1.00 72.31 N ATOM 655 CA ILE A 624 -8.420 7.475 13.468 1.00 42.31 C ATOM 656 C ILE A 624 -8.130 8.768 14.188 1.00 14.35 C ATOM 657 O ILE A 624 -8.677 9.021 15.261 1.00 22.21 O ATOM 658 CB ILE A 624 -9.893 7.482 12.891 1.00 60.43 C ATOM 659 CG1 ILE A 624 -10.126 6.324 11.900 1.00 74.15 C ATOM 660 CG2 ILE A 624 -10.228 8.810 12.222 1.00 4.35 C ATOM 661 CD1 ILE A 624 -10.028 4.946 12.477 1.00 42.21 C ATOM 0 H ILE A 624 -9.010 6.107 14.918 1.00 72.31 H new ATOM 0 HA ILE A 624 -7.759 7.352 12.610 1.00 42.31 H new ATOM 0 HB ILE A 624 -10.559 7.344 13.743 1.00 60.43 H new ATOM 0 HG12 ILE A 624 -11.115 6.443 11.457 1.00 74.15 H new ATOM 0 HG13 ILE A 624 -9.401 6.411 11.091 1.00 74.15 H new ATOM 0 HG21 ILE A 624 -11.248 8.777 11.838 1.00 4.35 H new ATOM 0 HG22 ILE A 624 -10.140 9.616 12.950 1.00 4.35 H new ATOM 0 HG23 ILE A 624 -9.536 8.988 11.399 1.00 4.35 H new ATOM 0 HD11 ILE A 624 -10.209 4.210 11.694 1.00 42.21 H new ATOM 0 HD12 ILE A 624 -9.032 4.796 12.893 1.00 42.21 H new ATOM 0 HD13 ILE A 624 -10.772 4.828 13.265 1.00 42.21 H new ATOM 673 N ILE A 625 -7.271 9.568 13.629 1.00 4.11 N ATOM 674 CA ILE A 625 -6.909 10.815 14.259 1.00 4.10 C ATOM 675 C ILE A 625 -7.800 11.922 13.749 1.00 22.35 C ATOM 676 O ILE A 625 -7.773 12.276 12.562 1.00 0.40 O ATOM 677 CB ILE A 625 -5.409 11.192 14.039 1.00 61.23 C ATOM 678 CG1 ILE A 625 -4.492 10.120 14.643 1.00 3.25 C ATOM 679 CG2 ILE A 625 -5.095 12.563 14.635 1.00 64.33 C ATOM 680 CD1 ILE A 625 -3.016 10.403 14.442 1.00 21.02 C ATOM 0 H ILE A 625 -6.806 9.385 12.740 1.00 4.11 H new ATOM 0 HA ILE A 625 -7.049 10.685 15.332 1.00 4.10 H new ATOM 0 HB ILE A 625 -5.227 11.241 12.965 1.00 61.23 H new ATOM 0 HG12 ILE A 625 -4.696 10.038 15.711 1.00 3.25 H new ATOM 0 HG13 ILE A 625 -4.733 9.155 14.198 1.00 3.25 H new ATOM 0 HG21 ILE A 625 -4.044 12.800 14.468 1.00 64.33 H new ATOM 0 HG22 ILE A 625 -5.718 13.319 14.157 1.00 64.33 H new ATOM 0 HG23 ILE A 625 -5.298 12.549 15.706 1.00 64.33 H new ATOM 0 HD11 ILE A 625 -2.428 9.605 14.894 1.00 21.02 H new ATOM 0 HD12 ILE A 625 -2.798 10.455 13.375 1.00 21.02 H new ATOM 0 HD13 ILE A 625 -2.760 11.353 14.912 1.00 21.02 H new ATOM 692 N ASN A 626 -8.601 12.445 14.623 1.00 50.42 N ATOM 693 CA ASN A 626 -9.473 13.523 14.278 1.00 13.10 C ATOM 694 C ASN A 626 -8.655 14.785 14.227 1.00 42.50 C ATOM 695 O ASN A 626 -8.091 15.222 15.238 1.00 41.42 O ATOM 696 CB ASN A 626 -10.632 13.645 15.275 1.00 53.25 C ATOM 697 CG ASN A 626 -11.488 12.385 15.334 1.00 44.23 C ATOM 698 OD1 ASN A 626 -11.226 11.477 16.125 1.00 43.24 O ATOM 699 ND2 ASN A 626 -12.500 12.314 14.508 1.00 62.41 N ATOM 0 H ASN A 626 -8.669 12.138 15.593 1.00 50.42 H new ATOM 0 HA ASN A 626 -9.925 13.337 13.304 1.00 13.10 H new ATOM 0 HB2 ASN A 626 -10.233 13.856 16.267 1.00 53.25 H new ATOM 0 HB3 ASN A 626 -11.258 14.493 14.997 1.00 53.25 H new ATOM 0 HD21 ASN A 626 -13.100 11.489 14.506 1.00 62.41 H new ATOM 0 HD22 ASN A 626 -12.689 13.084 13.866 1.00 62.41 H new ATOM 706 N GLY A 627 -8.547 15.328 13.057 1.00 43.12 N ATOM 707 CA GLY A 627 -7.739 16.484 12.841 1.00 61.10 C ATOM 708 C GLY A 627 -7.004 16.372 11.532 1.00 75.13 C ATOM 709 O GLY A 627 -6.595 17.372 10.948 1.00 63.40 O ATOM 0 H GLY A 627 -9.018 14.981 12.222 1.00 43.12 H new ATOM 0 HA2 GLY A 627 -8.364 17.377 12.840 1.00 61.10 H new ATOM 0 HA3 GLY A 627 -7.026 16.595 13.658 1.00 61.10 H new ATOM 713 N GLY A 628 -6.844 15.150 11.065 1.00 24.23 N ATOM 714 CA GLY A 628 -6.163 14.923 9.819 1.00 53.23 C ATOM 715 C GLY A 628 -7.114 14.949 8.645 1.00 52.15 C ATOM 716 O GLY A 628 -8.325 14.697 8.801 1.00 71.33 O ATOM 0 H GLY A 628 -7.177 14.306 11.532 1.00 24.23 H new ATOM 0 HA2 GLY A 628 -5.395 15.684 9.681 1.00 53.23 H new ATOM 0 HA3 GLY A 628 -5.655 13.959 9.853 1.00 53.23 H new ATOM 720 N ALA A 629 -6.587 15.238 7.477 1.00 34.24 N ATOM 721 CA ALA A 629 -7.385 15.323 6.269 1.00 30.44 C ATOM 722 C ALA A 629 -7.915 13.964 5.849 1.00 71.20 C ATOM 723 O ALA A 629 -9.023 13.864 5.340 1.00 54.13 O ATOM 724 CB ALA A 629 -6.597 15.979 5.156 1.00 75.33 C ATOM 0 H ALA A 629 -5.594 15.421 7.335 1.00 34.24 H new ATOM 0 HA ALA A 629 -8.252 15.948 6.484 1.00 30.44 H new ATOM 0 HB1 ALA A 629 -7.212 16.034 4.258 1.00 75.33 H new ATOM 0 HB2 ALA A 629 -6.307 16.985 5.459 1.00 75.33 H new ATOM 0 HB3 ALA A 629 -5.703 15.391 4.948 1.00 75.33 H new ATOM 730 N ALA A 630 -7.143 12.909 6.099 1.00 25.24 N ATOM 731 CA ALA A 630 -7.555 11.551 5.744 1.00 14.02 C ATOM 732 C ALA A 630 -8.780 11.161 6.498 1.00 23.41 C ATOM 733 O ALA A 630 -9.593 10.358 6.030 1.00 65.24 O ATOM 734 CB ALA A 630 -6.445 10.562 6.006 1.00 31.42 C ATOM 0 H ALA A 630 -6.228 12.967 6.546 1.00 25.24 H new ATOM 0 HA ALA A 630 -7.780 11.538 4.678 1.00 14.02 H new ATOM 0 HB1 ALA A 630 -6.778 9.561 5.733 1.00 31.42 H new ATOM 0 HB2 ALA A 630 -5.572 10.829 5.410 1.00 31.42 H new ATOM 0 HB3 ALA A 630 -6.182 10.582 7.064 1.00 31.42 H new ATOM 740 N SER A 631 -8.933 11.753 7.639 1.00 10.45 N ATOM 741 CA SER A 631 -10.045 11.465 8.465 1.00 51.14 C ATOM 742 C SER A 631 -11.301 12.113 7.885 1.00 4.51 C ATOM 743 O SER A 631 -12.272 11.421 7.595 1.00 43.30 O ATOM 744 CB SER A 631 -9.774 11.966 9.891 1.00 74.55 C ATOM 745 OG SER A 631 -10.861 11.699 10.761 1.00 24.22 O ATOM 0 H SER A 631 -8.288 12.447 8.018 1.00 10.45 H new ATOM 0 HA SER A 631 -10.203 10.387 8.504 1.00 51.14 H new ATOM 0 HB2 SER A 631 -8.874 11.489 10.278 1.00 74.55 H new ATOM 0 HB3 SER A 631 -9.582 13.039 9.869 1.00 74.55 H new ATOM 0 HG SER A 631 -10.651 12.031 11.659 1.00 24.22 H new ATOM 751 N LYS A 632 -11.254 13.418 7.655 1.00 20.04 N ATOM 752 CA LYS A 632 -12.418 14.127 7.146 1.00 23.42 C ATOM 753 C LYS A 632 -12.719 13.923 5.650 1.00 63.24 C ATOM 754 O LYS A 632 -13.879 13.885 5.254 1.00 64.31 O ATOM 755 CB LYS A 632 -12.529 15.596 7.666 1.00 4.45 C ATOM 756 CG LYS A 632 -11.272 16.477 7.557 1.00 12.34 C ATOM 757 CD LYS A 632 -10.880 16.837 6.132 1.00 51.23 C ATOM 758 CE LYS A 632 -11.954 17.661 5.423 1.00 14.24 C ATOM 759 NZ LYS A 632 -11.506 18.100 4.088 1.00 23.32 N ATOM 0 H LYS A 632 -10.432 14.001 7.811 1.00 20.04 H new ATOM 0 HA LYS A 632 -13.265 13.618 7.605 1.00 23.42 H new ATOM 0 HB2 LYS A 632 -13.335 16.088 7.120 1.00 4.45 H new ATOM 0 HB3 LYS A 632 -12.828 15.562 8.714 1.00 4.45 H new ATOM 0 HG2 LYS A 632 -11.437 17.396 8.119 1.00 12.34 H new ATOM 0 HG3 LYS A 632 -10.438 15.959 8.031 1.00 12.34 H new ATOM 0 HD2 LYS A 632 -9.946 17.398 6.146 1.00 51.23 H new ATOM 0 HD3 LYS A 632 -10.695 15.923 5.567 1.00 51.23 H new ATOM 0 HE2 LYS A 632 -12.864 17.068 5.326 1.00 14.24 H new ATOM 0 HE3 LYS A 632 -12.204 18.532 6.028 1.00 14.24 H new ATOM 0 HZ1 LYS A 632 -12.280 17.976 3.404 1.00 23.32 H new ATOM 0 HZ2 LYS A 632 -11.234 19.103 4.126 1.00 23.32 H new ATOM 0 HZ3 LYS A 632 -10.688 17.530 3.792 1.00 23.32 H new ATOM 773 N ASP A 633 -11.688 13.795 4.832 1.00 1.24 N ATOM 774 CA ASP A 633 -11.882 13.542 3.405 1.00 24.13 C ATOM 775 C ASP A 633 -12.227 12.101 3.118 1.00 34.40 C ATOM 776 O ASP A 633 -13.178 11.818 2.375 1.00 5.52 O ATOM 777 CB ASP A 633 -10.670 13.957 2.551 1.00 21.55 C ATOM 778 CG ASP A 633 -10.505 15.444 2.425 1.00 13.34 C ATOM 779 OD1 ASP A 633 -9.904 16.057 3.303 1.00 54.25 O ATOM 780 OD2 ASP A 633 -10.991 16.032 1.435 1.00 4.35 O ATOM 0 H ASP A 633 -10.713 13.861 5.124 1.00 1.24 H new ATOM 0 HA ASP A 633 -12.728 14.169 3.122 1.00 24.13 H new ATOM 0 HB2 ASP A 633 -9.766 13.535 2.989 1.00 21.55 H new ATOM 0 HB3 ASP A 633 -10.773 13.525 1.555 1.00 21.55 H new ATOM 785 N GLY A 634 -11.476 11.192 3.713 1.00 41.40 N ATOM 786 CA GLY A 634 -11.637 9.795 3.387 1.00 33.24 C ATOM 787 C GLY A 634 -12.670 9.062 4.212 1.00 74.00 C ATOM 788 O GLY A 634 -13.472 8.309 3.647 1.00 54.21 O ATOM 0 H GLY A 634 -10.762 11.395 4.412 1.00 41.40 H new ATOM 0 HA2 GLY A 634 -11.909 9.712 2.335 1.00 33.24 H new ATOM 0 HA3 GLY A 634 -10.676 9.296 3.509 1.00 33.24 H new ATOM 792 N ARG A 635 -12.684 9.308 5.536 1.00 60.53 N ATOM 793 CA ARG A 635 -13.572 8.584 6.479 1.00 52.24 C ATOM 794 C ARG A 635 -13.232 7.069 6.462 1.00 34.32 C ATOM 795 O ARG A 635 -13.843 6.290 5.726 1.00 34.02 O ATOM 796 CB ARG A 635 -15.079 8.792 6.144 1.00 3.44 C ATOM 797 CG ARG A 635 -15.626 10.235 6.218 1.00 73.02 C ATOM 798 CD ARG A 635 -15.911 10.727 7.649 1.00 62.45 C ATOM 799 NE ARG A 635 -14.729 10.847 8.505 1.00 41.43 N ATOM 800 CZ ARG A 635 -14.772 11.178 9.806 1.00 70.11 C ATOM 801 NH1 ARG A 635 -15.937 11.427 10.392 1.00 73.40 N ATOM 802 NH2 ARG A 635 -13.654 11.268 10.513 1.00 22.20 N ATOM 0 H ARG A 635 -12.089 10.005 5.983 1.00 60.53 H new ATOM 0 HA ARG A 635 -13.399 8.993 7.474 1.00 52.24 H new ATOM 0 HB2 ARG A 635 -15.256 8.415 5.137 1.00 3.44 H new ATOM 0 HB3 ARG A 635 -15.665 8.173 6.824 1.00 3.44 H new ATOM 0 HG2 ARG A 635 -14.908 10.909 5.750 1.00 73.02 H new ATOM 0 HG3 ARG A 635 -16.545 10.294 5.635 1.00 73.02 H new ATOM 0 HD2 ARG A 635 -16.401 11.699 7.593 1.00 62.45 H new ATOM 0 HD3 ARG A 635 -16.615 10.041 8.120 1.00 62.45 H new ATOM 0 HE ARG A 635 -13.816 10.668 8.087 1.00 41.43 H new ATOM 0 HH11 ARG A 635 -16.802 11.367 9.854 1.00 73.40 H new ATOM 0 HH12 ARG A 635 -15.967 11.678 11.380 1.00 73.40 H new ATOM 0 HH21 ARG A 635 -12.754 11.085 10.069 1.00 22.20 H new ATOM 0 HH22 ARG A 635 -13.694 11.520 11.501 1.00 22.20 H new ATOM 816 N LEU A 636 -12.222 6.676 7.215 1.00 31.40 N ATOM 817 CA LEU A 636 -11.788 5.273 7.239 1.00 52.34 C ATOM 818 C LEU A 636 -12.276 4.564 8.476 1.00 13.04 C ATOM 819 O LEU A 636 -12.920 5.177 9.341 1.00 64.04 O ATOM 820 CB LEU A 636 -10.252 5.103 7.083 1.00 12.42 C ATOM 821 CG LEU A 636 -9.642 5.390 5.691 1.00 33.11 C ATOM 822 CD1 LEU A 636 -9.802 6.834 5.285 1.00 75.34 C ATOM 823 CD2 LEU A 636 -8.183 4.983 5.648 1.00 24.25 C ATOM 0 H LEU A 636 -11.683 7.297 7.819 1.00 31.40 H new ATOM 0 HA LEU A 636 -12.246 4.808 6.366 1.00 52.34 H new ATOM 0 HB2 LEU A 636 -9.765 5.758 7.806 1.00 12.42 H new ATOM 0 HB3 LEU A 636 -9.997 4.080 7.358 1.00 12.42 H new ATOM 0 HG LEU A 636 -10.195 4.788 4.970 1.00 33.11 H new ATOM 0 HD11 LEU A 636 -9.358 6.987 4.301 1.00 75.34 H new ATOM 0 HD12 LEU A 636 -10.862 7.086 5.248 1.00 75.34 H new ATOM 0 HD13 LEU A 636 -9.302 7.474 6.012 1.00 75.34 H new ATOM 0 HD21 LEU A 636 -7.775 5.194 4.659 1.00 24.25 H new ATOM 0 HD22 LEU A 636 -7.626 5.545 6.398 1.00 24.25 H new ATOM 0 HD23 LEU A 636 -8.096 3.917 5.856 1.00 24.25 H new ATOM 835 N ARG A 637 -11.974 3.284 8.572 1.00 12.11 N ATOM 836 CA ARG A 637 -12.445 2.482 9.698 1.00 3.43 C ATOM 837 C ARG A 637 -11.272 2.077 10.537 1.00 13.11 C ATOM 838 O ARG A 637 -10.120 2.255 10.151 1.00 62.52 O ATOM 839 CB ARG A 637 -13.155 1.147 9.281 1.00 21.14 C ATOM 840 CG ARG A 637 -14.138 1.201 8.131 1.00 31.14 C ATOM 841 CD ARG A 637 -13.379 1.280 6.838 1.00 72.44 C ATOM 842 NE ARG A 637 -14.223 1.340 5.667 1.00 61.10 N ATOM 843 CZ ARG A 637 -13.776 1.649 4.448 1.00 61.40 C ATOM 844 NH1 ARG A 637 -12.463 1.773 4.220 1.00 10.50 N ATOM 845 NH2 ARG A 637 -14.636 1.800 3.454 1.00 41.11 N ATOM 0 H ARG A 637 -11.409 2.775 7.892 1.00 12.11 H new ATOM 0 HA ARG A 637 -13.163 3.112 10.223 1.00 3.43 H new ATOM 0 HB2 ARG A 637 -12.382 0.421 9.027 1.00 21.14 H new ATOM 0 HB3 ARG A 637 -13.681 0.760 10.154 1.00 21.14 H new ATOM 0 HG2 ARG A 637 -14.775 0.317 8.139 1.00 31.14 H new ATOM 0 HG3 ARG A 637 -14.792 2.066 8.236 1.00 31.14 H new ATOM 0 HD2 ARG A 637 -12.738 2.161 6.857 1.00 72.44 H new ATOM 0 HD3 ARG A 637 -12.725 0.412 6.758 1.00 72.44 H new ATOM 0 HE ARG A 637 -15.216 1.135 5.778 1.00 61.10 H new ATOM 0 HH11 ARG A 637 -11.798 1.631 4.980 1.00 10.50 H new ATOM 0 HH12 ARG A 637 -12.128 2.009 3.286 1.00 10.50 H new ATOM 0 HH21 ARG A 637 -15.635 1.680 3.621 1.00 41.11 H new ATOM 0 HH22 ARG A 637 -14.300 2.036 2.520 1.00 41.11 H new ATOM 859 N VAL A 638 -11.565 1.530 11.663 1.00 41.21 N ATOM 860 CA VAL A 638 -10.563 0.946 12.514 1.00 54.12 C ATOM 861 C VAL A 638 -10.344 -0.496 12.043 1.00 24.22 C ATOM 862 O VAL A 638 -11.298 -1.166 11.616 1.00 14.22 O ATOM 863 CB VAL A 638 -10.999 0.940 14.004 1.00 23.43 C ATOM 864 CG1 VAL A 638 -9.906 0.382 14.903 1.00 74.54 C ATOM 865 CG2 VAL A 638 -11.407 2.323 14.464 1.00 54.12 C ATOM 0 H VAL A 638 -12.514 1.469 12.033 1.00 41.21 H new ATOM 0 HA VAL A 638 -9.649 1.536 12.447 1.00 54.12 H new ATOM 0 HB VAL A 638 -11.867 0.285 14.081 1.00 23.43 H new ATOM 0 HG11 VAL A 638 -10.246 0.393 15.939 1.00 74.54 H new ATOM 0 HG12 VAL A 638 -9.678 -0.642 14.607 1.00 74.54 H new ATOM 0 HG13 VAL A 638 -9.009 0.995 14.809 1.00 74.54 H new ATOM 0 HG21 VAL A 638 -11.707 2.284 15.511 1.00 54.12 H new ATOM 0 HG22 VAL A 638 -10.565 3.007 14.352 1.00 54.12 H new ATOM 0 HG23 VAL A 638 -12.243 2.675 13.860 1.00 54.12 H new ATOM 875 N ASN A 639 -9.095 -0.938 12.081 1.00 73.14 N ATOM 876 CA ASN A 639 -8.658 -2.284 11.653 1.00 51.03 C ATOM 877 C ASN A 639 -8.800 -2.411 10.125 1.00 13.24 C ATOM 878 O ASN A 639 -8.790 -3.498 9.556 1.00 34.23 O ATOM 879 CB ASN A 639 -9.413 -3.404 12.431 1.00 32.32 C ATOM 880 CG ASN A 639 -8.797 -4.797 12.261 1.00 34.00 C ATOM 881 OD1 ASN A 639 -9.165 -5.567 11.368 1.00 72.05 O ATOM 882 ND2 ASN A 639 -7.854 -5.127 13.117 1.00 35.35 N ATOM 0 H ASN A 639 -8.325 -0.361 12.419 1.00 73.14 H new ATOM 0 HA ASN A 639 -7.604 -2.416 11.899 1.00 51.03 H new ATOM 0 HB2 ASN A 639 -9.428 -3.150 13.491 1.00 32.32 H new ATOM 0 HB3 ASN A 639 -10.450 -3.432 12.095 1.00 32.32 H new ATOM 0 HD21 ASN A 639 -7.405 -6.041 13.054 1.00 35.35 H new ATOM 0 HD22 ASN A 639 -7.572 -4.469 13.844 1.00 35.35 H new ATOM 889 N ASP A 640 -8.883 -1.257 9.477 1.00 14.12 N ATOM 890 CA ASP A 640 -8.997 -1.160 8.025 1.00 10.22 C ATOM 891 C ASP A 640 -7.653 -1.570 7.427 1.00 20.10 C ATOM 892 O ASP A 640 -6.601 -1.188 7.948 1.00 22.43 O ATOM 893 CB ASP A 640 -9.328 0.296 7.649 1.00 34.32 C ATOM 894 CG ASP A 640 -9.819 0.494 6.222 1.00 23.41 C ATOM 895 OD1 ASP A 640 -9.529 -0.330 5.360 1.00 30.21 O ATOM 896 OD2 ASP A 640 -10.528 1.510 5.982 1.00 75.03 O ATOM 0 H ASP A 640 -8.873 -0.352 9.948 1.00 14.12 H new ATOM 0 HA ASP A 640 -9.786 -1.808 7.644 1.00 10.22 H new ATOM 0 HB2 ASP A 640 -10.089 0.669 8.335 1.00 34.32 H new ATOM 0 HB3 ASP A 640 -8.437 0.906 7.799 1.00 34.32 H new ATOM 901 N GLN A 641 -7.698 -2.337 6.380 1.00 55.14 N ATOM 902 CA GLN A 641 -6.526 -2.901 5.743 1.00 0.44 C ATOM 903 C GLN A 641 -5.934 -1.938 4.719 1.00 40.31 C ATOM 904 O GLN A 641 -6.537 -1.664 3.699 1.00 5.15 O ATOM 905 CB GLN A 641 -6.926 -4.226 5.067 1.00 40.24 C ATOM 906 CG GLN A 641 -5.888 -4.866 4.147 1.00 34.52 C ATOM 907 CD GLN A 641 -4.640 -5.339 4.838 1.00 62.43 C ATOM 908 OE1 GLN A 641 -4.573 -6.476 5.287 1.00 31.34 O ATOM 909 NE2 GLN A 641 -3.641 -4.511 4.878 1.00 31.43 N ATOM 0 H GLN A 641 -8.572 -2.601 5.925 1.00 55.14 H new ATOM 0 HA GLN A 641 -5.760 -3.082 6.497 1.00 0.44 H new ATOM 0 HB2 GLN A 641 -7.178 -4.944 5.847 1.00 40.24 H new ATOM 0 HB3 GLN A 641 -7.833 -4.053 4.488 1.00 40.24 H new ATOM 0 HG2 GLN A 641 -6.348 -5.713 3.638 1.00 34.52 H new ATOM 0 HG3 GLN A 641 -5.610 -4.145 3.379 1.00 34.52 H new ATOM 0 HE21 GLN A 641 -3.741 -3.572 4.492 1.00 31.43 H new ATOM 0 HE22 GLN A 641 -2.756 -4.799 5.296 1.00 31.43 H new ATOM 918 N LEU A 642 -4.755 -1.441 4.993 1.00 41.41 N ATOM 919 CA LEU A 642 -4.076 -0.562 4.059 1.00 42.14 C ATOM 920 C LEU A 642 -3.405 -1.383 2.966 1.00 12.23 C ATOM 921 O LEU A 642 -2.588 -2.264 3.245 1.00 10.53 O ATOM 922 CB LEU A 642 -3.074 0.405 4.752 1.00 40.53 C ATOM 923 CG LEU A 642 -3.649 1.521 5.637 1.00 15.42 C ATOM 924 CD1 LEU A 642 -4.350 0.965 6.857 1.00 44.33 C ATOM 925 CD2 LEU A 642 -2.552 2.483 6.043 1.00 34.25 C ATOM 0 H LEU A 642 -4.240 -1.626 5.854 1.00 41.41 H new ATOM 0 HA LEU A 642 -4.832 0.079 3.604 1.00 42.14 H new ATOM 0 HB2 LEU A 642 -2.400 -0.194 5.364 1.00 40.53 H new ATOM 0 HB3 LEU A 642 -2.468 0.872 3.975 1.00 40.53 H new ATOM 0 HG LEU A 642 -4.395 2.060 5.052 1.00 15.42 H new ATOM 0 HD11 LEU A 642 -4.743 1.786 7.457 1.00 44.33 H new ATOM 0 HD12 LEU A 642 -5.171 0.320 6.543 1.00 44.33 H new ATOM 0 HD13 LEU A 642 -3.642 0.387 7.452 1.00 44.33 H new ATOM 0 HD21 LEU A 642 -2.972 3.270 6.670 1.00 34.25 H new ATOM 0 HD22 LEU A 642 -1.785 1.946 6.600 1.00 34.25 H new ATOM 0 HD23 LEU A 642 -2.109 2.927 5.151 1.00 34.25 H new ATOM 937 N ILE A 643 -3.779 -1.111 1.741 1.00 75.22 N ATOM 938 CA ILE A 643 -3.323 -1.873 0.588 1.00 3.43 C ATOM 939 C ILE A 643 -2.217 -1.144 -0.165 1.00 22.24 C ATOM 940 O ILE A 643 -1.101 -1.642 -0.307 1.00 10.41 O ATOM 941 CB ILE A 643 -4.504 -2.098 -0.394 1.00 52.02 C ATOM 942 CG1 ILE A 643 -5.655 -2.847 0.278 1.00 34.00 C ATOM 943 CG2 ILE A 643 -4.062 -2.811 -1.665 1.00 43.00 C ATOM 944 CD1 ILE A 643 -5.298 -4.234 0.764 1.00 65.42 C ATOM 0 H ILE A 643 -4.414 -0.349 1.506 1.00 75.22 H new ATOM 0 HA ILE A 643 -2.937 -2.823 0.959 1.00 3.43 H new ATOM 0 HB ILE A 643 -4.866 -1.111 -0.682 1.00 52.02 H new ATOM 0 HG12 ILE A 643 -6.010 -2.259 1.124 1.00 34.00 H new ATOM 0 HG13 ILE A 643 -6.483 -2.924 -0.427 1.00 34.00 H new ATOM 0 HG21 ILE A 643 -4.920 -2.947 -2.323 1.00 43.00 H new ATOM 0 HG22 ILE A 643 -3.306 -2.213 -2.174 1.00 43.00 H new ATOM 0 HG23 ILE A 643 -3.643 -3.784 -1.409 1.00 43.00 H new ATOM 0 HD11 ILE A 643 -6.171 -4.693 1.227 1.00 65.42 H new ATOM 0 HD12 ILE A 643 -4.972 -4.843 -0.080 1.00 65.42 H new ATOM 0 HD13 ILE A 643 -4.493 -4.167 1.495 1.00 65.42 H new ATOM 956 N ALA A 644 -2.533 0.022 -0.657 1.00 65.35 N ATOM 957 CA ALA A 644 -1.608 0.760 -1.478 1.00 44.21 C ATOM 958 C ALA A 644 -1.633 2.226 -1.121 1.00 50.34 C ATOM 959 O ALA A 644 -2.623 2.716 -0.568 1.00 33.24 O ATOM 960 CB ALA A 644 -1.955 0.553 -2.949 1.00 2.50 C ATOM 0 H ALA A 644 -3.429 0.485 -0.504 1.00 65.35 H new ATOM 0 HA ALA A 644 -0.598 0.392 -1.298 1.00 44.21 H new ATOM 0 HB1 ALA A 644 -1.255 1.112 -3.570 1.00 2.50 H new ATOM 0 HB2 ALA A 644 -1.890 -0.507 -3.192 1.00 2.50 H new ATOM 0 HB3 ALA A 644 -2.969 0.907 -3.137 1.00 2.50 H new ATOM 966 N VAL A 645 -0.567 2.921 -1.439 1.00 75.01 N ATOM 967 CA VAL A 645 -0.461 4.325 -1.136 1.00 52.10 C ATOM 968 C VAL A 645 0.169 5.069 -2.320 1.00 53.31 C ATOM 969 O VAL A 645 1.170 4.636 -2.868 1.00 61.33 O ATOM 970 CB VAL A 645 0.345 4.576 0.178 1.00 11.20 C ATOM 971 CG1 VAL A 645 1.788 4.122 0.074 1.00 42.31 C ATOM 972 CG2 VAL A 645 0.257 6.016 0.601 1.00 20.22 C ATOM 0 H VAL A 645 0.247 2.530 -1.913 1.00 75.01 H new ATOM 0 HA VAL A 645 -1.466 4.713 -0.970 1.00 52.10 H new ATOM 0 HB VAL A 645 -0.119 3.964 0.951 1.00 11.20 H new ATOM 0 HG11 VAL A 645 2.301 4.320 1.015 1.00 42.31 H new ATOM 0 HG12 VAL A 645 1.819 3.053 -0.138 1.00 42.31 H new ATOM 0 HG13 VAL A 645 2.283 4.666 -0.731 1.00 42.31 H new ATOM 0 HG21 VAL A 645 0.827 6.161 1.518 1.00 20.22 H new ATOM 0 HG22 VAL A 645 0.665 6.652 -0.185 1.00 20.22 H new ATOM 0 HG23 VAL A 645 -0.786 6.281 0.776 1.00 20.22 H new ATOM 982 N ASN A 646 -0.455 6.174 -2.721 1.00 54.43 N ATOM 983 CA ASN A 646 -0.019 6.990 -3.881 1.00 52.03 C ATOM 984 C ASN A 646 0.162 6.184 -5.155 1.00 41.32 C ATOM 985 O ASN A 646 0.934 6.554 -6.031 1.00 53.34 O ATOM 986 CB ASN A 646 1.223 7.817 -3.533 1.00 74.15 C ATOM 987 CG ASN A 646 0.846 8.968 -2.646 1.00 40.21 C ATOM 988 OD1 ASN A 646 -0.241 9.493 -2.761 1.00 35.22 O ATOM 989 ND2 ASN A 646 1.700 9.353 -1.741 1.00 15.05 N ATOM 0 H ASN A 646 -1.285 6.542 -2.255 1.00 54.43 H new ATOM 0 HA ASN A 646 -0.833 7.682 -4.098 1.00 52.03 H new ATOM 0 HB2 ASN A 646 1.959 7.188 -3.032 1.00 74.15 H new ATOM 0 HB3 ASN A 646 1.689 8.189 -4.446 1.00 74.15 H new ATOM 0 HD21 ASN A 646 1.461 10.115 -1.106 1.00 15.05 H new ATOM 0 HD22 ASN A 646 2.607 8.893 -1.667 1.00 15.05 H new ATOM 996 N GLY A 647 -0.608 5.117 -5.276 1.00 43.03 N ATOM 997 CA GLY A 647 -0.524 4.267 -6.448 1.00 51.15 C ATOM 998 C GLY A 647 0.516 3.163 -6.312 1.00 41.44 C ATOM 999 O GLY A 647 0.579 2.263 -7.151 1.00 44.11 O ATOM 0 H GLY A 647 -1.294 4.821 -4.582 1.00 43.03 H new ATOM 0 HA2 GLY A 647 -1.500 3.818 -6.634 1.00 51.15 H new ATOM 0 HA3 GLY A 647 -0.284 4.879 -7.317 1.00 51.15 H new ATOM 1003 N GLU A 648 1.312 3.221 -5.261 1.00 54.21 N ATOM 1004 CA GLU A 648 2.349 2.240 -5.040 1.00 22.51 C ATOM 1005 C GLU A 648 1.698 1.076 -4.291 1.00 34.02 C ATOM 1006 O GLU A 648 1.013 1.294 -3.289 1.00 74.13 O ATOM 1007 CB GLU A 648 3.470 2.864 -4.182 1.00 63.44 C ATOM 1008 CG GLU A 648 4.869 2.279 -4.397 1.00 74.44 C ATOM 1009 CD GLU A 648 4.959 0.784 -4.239 1.00 23.34 C ATOM 1010 OE1 GLU A 648 4.677 0.065 -5.220 1.00 64.30 O ATOM 1011 OE2 GLU A 648 5.347 0.313 -3.159 1.00 51.33 O ATOM 0 H GLU A 648 1.256 3.944 -4.544 1.00 54.21 H new ATOM 0 HA GLU A 648 2.788 1.901 -5.978 1.00 22.51 H new ATOM 0 HB2 GLU A 648 3.507 3.934 -4.387 1.00 63.44 H new ATOM 0 HB3 GLU A 648 3.205 2.750 -3.131 1.00 63.44 H new ATOM 0 HG2 GLU A 648 5.209 2.546 -5.398 1.00 74.44 H new ATOM 0 HG3 GLU A 648 5.556 2.747 -3.692 1.00 74.44 H new ATOM 1018 N SER A 649 1.905 -0.125 -4.762 1.00 3.25 N ATOM 1019 CA SER A 649 1.273 -1.284 -4.193 1.00 21.22 C ATOM 1020 C SER A 649 2.117 -1.874 -3.071 1.00 33.15 C ATOM 1021 O SER A 649 3.213 -2.400 -3.293 1.00 21.44 O ATOM 1022 CB SER A 649 0.996 -2.332 -5.274 1.00 72.33 C ATOM 1023 OG SER A 649 0.317 -3.461 -4.742 1.00 52.41 O ATOM 0 H SER A 649 2.518 -0.327 -5.552 1.00 3.25 H new ATOM 0 HA SER A 649 0.320 -0.973 -3.765 1.00 21.22 H new ATOM 0 HB2 SER A 649 0.397 -1.887 -6.069 1.00 72.33 H new ATOM 0 HB3 SER A 649 1.937 -2.650 -5.724 1.00 72.33 H new ATOM 0 HG SER A 649 0.153 -4.111 -5.457 1.00 52.41 H new ATOM 1029 N LEU A 650 1.620 -1.766 -1.865 1.00 3.33 N ATOM 1030 CA LEU A 650 2.288 -2.325 -0.709 1.00 61.31 C ATOM 1031 C LEU A 650 1.773 -3.702 -0.442 1.00 0.54 C ATOM 1032 O LEU A 650 2.419 -4.496 0.235 1.00 21.44 O ATOM 1033 CB LEU A 650 2.105 -1.451 0.538 1.00 4.23 C ATOM 1034 CG LEU A 650 2.885 -0.111 0.606 1.00 31.44 C ATOM 1035 CD1 LEU A 650 2.618 0.776 -0.585 1.00 54.35 C ATOM 1036 CD2 LEU A 650 2.535 0.629 1.874 1.00 42.35 C ATOM 0 H LEU A 650 0.743 -1.290 -1.653 1.00 3.33 H new ATOM 0 HA LEU A 650 3.354 -2.365 -0.931 1.00 61.31 H new ATOM 0 HB2 LEU A 650 1.043 -1.225 0.635 1.00 4.23 H new ATOM 0 HB3 LEU A 650 2.385 -2.046 1.407 1.00 4.23 H new ATOM 0 HG LEU A 650 3.946 -0.361 0.598 1.00 31.44 H new ATOM 0 HD11 LEU A 650 3.189 1.699 -0.486 1.00 54.35 H new ATOM 0 HD12 LEU A 650 2.918 0.260 -1.497 1.00 54.35 H new ATOM 0 HD13 LEU A 650 1.555 1.010 -0.633 1.00 54.35 H new ATOM 0 HD21 LEU A 650 3.088 1.568 1.912 1.00 42.35 H new ATOM 0 HD22 LEU A 650 1.465 0.837 1.890 1.00 42.35 H new ATOM 0 HD23 LEU A 650 2.799 0.018 2.737 1.00 42.35 H new ATOM 1048 N LEU A 651 0.620 -3.984 -0.991 1.00 30.10 N ATOM 1049 CA LEU A 651 -0.014 -5.253 -0.829 1.00 32.15 C ATOM 1050 C LEU A 651 0.762 -6.278 -1.638 1.00 62.32 C ATOM 1051 O LEU A 651 0.604 -6.402 -2.851 1.00 55.34 O ATOM 1052 CB LEU A 651 -1.499 -5.147 -1.260 1.00 71.55 C ATOM 1053 CG LEU A 651 -2.473 -6.308 -0.918 1.00 64.54 C ATOM 1054 CD1 LEU A 651 -2.146 -7.591 -1.651 1.00 13.25 C ATOM 1055 CD2 LEU A 651 -2.517 -6.539 0.581 1.00 41.43 C ATOM 0 H LEU A 651 0.095 -3.327 -1.568 1.00 30.10 H new ATOM 0 HA LEU A 651 -0.010 -5.572 0.213 1.00 32.15 H new ATOM 0 HB2 LEU A 651 -1.905 -4.237 -0.817 1.00 71.55 H new ATOM 0 HB3 LEU A 651 -1.518 -5.011 -2.341 1.00 71.55 H new ATOM 0 HG LEU A 651 -3.461 -6.001 -1.262 1.00 64.54 H new ATOM 0 HD11 LEU A 651 -2.862 -8.363 -1.370 1.00 13.25 H new ATOM 0 HD12 LEU A 651 -2.201 -7.420 -2.726 1.00 13.25 H new ATOM 0 HD13 LEU A 651 -1.140 -7.915 -1.386 1.00 13.25 H new ATOM 0 HD21 LEU A 651 -3.204 -7.356 0.803 1.00 41.43 H new ATOM 0 HD22 LEU A 651 -1.520 -6.796 0.939 1.00 41.43 H new ATOM 0 HD23 LEU A 651 -2.859 -5.632 1.079 1.00 41.43 H new ATOM 1067 N GLY A 652 1.649 -6.929 -0.970 1.00 71.13 N ATOM 1068 CA GLY A 652 2.482 -7.932 -1.573 1.00 42.02 C ATOM 1069 C GLY A 652 3.734 -8.052 -0.788 1.00 3.41 C ATOM 1070 O GLY A 652 4.237 -9.150 -0.535 1.00 55.44 O ATOM 0 H GLY A 652 1.825 -6.784 0.024 1.00 71.13 H new ATOM 0 HA2 GLY A 652 1.961 -8.889 -1.600 1.00 42.02 H new ATOM 0 HA3 GLY A 652 2.708 -7.664 -2.605 1.00 42.02 H new ATOM 1074 N LYS A 653 4.235 -6.916 -0.389 1.00 4.25 N ATOM 1075 CA LYS A 653 5.359 -6.861 0.480 1.00 20.45 C ATOM 1076 C LYS A 653 4.896 -6.896 1.912 1.00 53.01 C ATOM 1077 O LYS A 653 3.713 -6.703 2.184 1.00 0.13 O ATOM 1078 CB LYS A 653 6.284 -5.672 0.183 1.00 21.33 C ATOM 1079 CG LYS A 653 5.609 -4.347 -0.025 1.00 52.40 C ATOM 1080 CD LYS A 653 6.645 -3.252 -0.148 1.00 12.03 C ATOM 1081 CE LYS A 653 6.047 -1.975 -0.635 1.00 73.25 C ATOM 1082 NZ LYS A 653 5.630 -2.043 -2.064 1.00 14.52 N ATOM 0 H LYS A 653 3.869 -6.004 -0.663 1.00 4.25 H new ATOM 0 HA LYS A 653 5.973 -7.743 0.298 1.00 20.45 H new ATOM 0 HB2 LYS A 653 6.990 -5.572 1.007 1.00 21.33 H new ATOM 0 HB3 LYS A 653 6.866 -5.904 -0.709 1.00 21.33 H new ATOM 0 HG2 LYS A 653 4.994 -4.380 -0.925 1.00 52.40 H new ATOM 0 HG3 LYS A 653 4.941 -4.135 0.810 1.00 52.40 H new ATOM 0 HD2 LYS A 653 7.116 -3.087 0.821 1.00 12.03 H new ATOM 0 HD3 LYS A 653 7.430 -3.570 -0.834 1.00 12.03 H new ATOM 0 HE2 LYS A 653 5.182 -1.726 -0.020 1.00 73.25 H new ATOM 0 HE3 LYS A 653 6.770 -1.169 -0.510 1.00 73.25 H new ATOM 0 HZ1 LYS A 653 5.850 -1.141 -2.533 1.00 14.52 H new ATOM 0 HZ2 LYS A 653 6.142 -2.814 -2.539 1.00 14.52 H new ATOM 0 HZ3 LYS A 653 4.607 -2.221 -2.119 1.00 14.52 H new ATOM 1096 N ALA A 654 5.807 -7.124 2.810 1.00 15.30 N ATOM 1097 CA ALA A 654 5.457 -7.322 4.209 1.00 25.10 C ATOM 1098 C ALA A 654 5.120 -6.021 4.879 1.00 15.44 C ATOM 1099 O ALA A 654 5.494 -4.956 4.387 1.00 63.23 O ATOM 1100 CB ALA A 654 6.586 -8.010 4.947 1.00 23.44 C ATOM 0 H ALA A 654 6.806 -7.180 2.611 1.00 15.30 H new ATOM 0 HA ALA A 654 4.573 -7.958 4.241 1.00 25.10 H new ATOM 0 HB1 ALA A 654 6.306 -8.150 5.991 1.00 23.44 H new ATOM 0 HB2 ALA A 654 6.781 -8.981 4.491 1.00 23.44 H new ATOM 0 HB3 ALA A 654 7.485 -7.396 4.891 1.00 23.44 H new ATOM 1106 N ASN A 655 4.419 -6.113 6.001 1.00 22.32 N ATOM 1107 CA ASN A 655 4.035 -4.950 6.797 1.00 0.34 C ATOM 1108 C ASN A 655 5.204 -4.004 7.084 1.00 71.35 C ATOM 1109 O ASN A 655 5.072 -2.813 6.901 1.00 51.02 O ATOM 1110 CB ASN A 655 3.275 -5.322 8.109 1.00 3.21 C ATOM 1111 CG ASN A 655 3.986 -6.311 9.045 1.00 1.01 C ATOM 1112 OD1 ASN A 655 5.203 -6.446 9.052 1.00 61.43 O ATOM 1113 ND2 ASN A 655 3.214 -6.977 9.868 1.00 61.20 N ATOM 0 H ASN A 655 4.098 -7.000 6.388 1.00 22.32 H new ATOM 0 HA ASN A 655 3.331 -4.407 6.167 1.00 0.34 H new ATOM 0 HB2 ASN A 655 3.079 -4.405 8.664 1.00 3.21 H new ATOM 0 HB3 ASN A 655 2.307 -5.743 7.837 1.00 3.21 H new ATOM 0 HD21 ASN A 655 3.624 -7.628 10.537 1.00 61.20 H new ATOM 0 HD22 ASN A 655 2.203 -6.844 9.839 1.00 61.20 H new ATOM 1120 N GLN A 656 6.337 -4.545 7.497 1.00 1.32 N ATOM 1121 CA GLN A 656 7.538 -3.746 7.765 1.00 75.20 C ATOM 1122 C GLN A 656 7.935 -2.933 6.531 1.00 72.21 C ATOM 1123 O GLN A 656 8.183 -1.725 6.608 1.00 73.25 O ATOM 1124 CB GLN A 656 8.691 -4.654 8.163 1.00 23.34 C ATOM 1125 CG GLN A 656 8.464 -5.457 9.426 1.00 5.43 C ATOM 1126 CD GLN A 656 9.645 -6.343 9.737 1.00 75.14 C ATOM 1127 OE1 GLN A 656 10.574 -5.942 10.429 1.00 44.33 O ATOM 1128 NE2 GLN A 656 9.626 -7.549 9.230 1.00 23.13 N ATOM 0 H GLN A 656 6.459 -5.545 7.658 1.00 1.32 H new ATOM 0 HA GLN A 656 7.314 -3.060 8.582 1.00 75.20 H new ATOM 0 HB2 GLN A 656 8.891 -5.343 7.343 1.00 23.34 H new ATOM 0 HB3 GLN A 656 9.586 -4.045 8.293 1.00 23.34 H new ATOM 0 HG2 GLN A 656 8.285 -4.780 10.262 1.00 5.43 H new ATOM 0 HG3 GLN A 656 7.569 -6.068 9.314 1.00 5.43 H new ATOM 0 HE21 GLN A 656 8.836 -7.850 8.658 1.00 23.13 H new ATOM 0 HE22 GLN A 656 10.401 -8.189 9.406 1.00 23.13 H new ATOM 1137 N GLU A 657 7.947 -3.605 5.390 1.00 53.22 N ATOM 1138 CA GLU A 657 8.295 -2.994 4.113 1.00 3.02 C ATOM 1139 C GLU A 657 7.256 -1.948 3.772 1.00 4.41 C ATOM 1140 O GLU A 657 7.578 -0.859 3.294 1.00 72.01 O ATOM 1141 CB GLU A 657 8.273 -4.047 3.007 1.00 71.23 C ATOM 1142 CG GLU A 657 9.166 -5.252 3.236 1.00 62.11 C ATOM 1143 CD GLU A 657 10.628 -4.914 3.210 1.00 14.34 C ATOM 1144 OE1 GLU A 657 11.230 -4.944 2.125 1.00 5.53 O ATOM 1145 OE2 GLU A 657 11.210 -4.640 4.274 1.00 53.15 O ATOM 0 H GLU A 657 7.714 -4.596 5.322 1.00 53.22 H new ATOM 0 HA GLU A 657 9.289 -2.553 4.191 1.00 3.02 H new ATOM 0 HB2 GLU A 657 7.248 -4.395 2.881 1.00 71.23 H new ATOM 0 HB3 GLU A 657 8.566 -3.572 2.071 1.00 71.23 H new ATOM 0 HG2 GLU A 657 8.920 -5.702 4.198 1.00 62.11 H new ATOM 0 HG3 GLU A 657 8.959 -6.001 2.472 1.00 62.11 H new ATOM 1152 N ALA A 658 6.013 -2.307 4.013 1.00 14.14 N ATOM 1153 CA ALA A 658 4.881 -1.469 3.751 1.00 35.22 C ATOM 1154 C ALA A 658 4.977 -0.172 4.524 1.00 61.34 C ATOM 1155 O ALA A 658 4.863 0.877 3.948 1.00 14.21 O ATOM 1156 CB ALA A 658 3.593 -2.204 4.081 1.00 11.44 C ATOM 0 H ALA A 658 5.764 -3.215 4.407 1.00 14.14 H new ATOM 0 HA ALA A 658 4.874 -1.223 2.689 1.00 35.22 H new ATOM 0 HB1 ALA A 658 2.741 -1.555 3.877 1.00 11.44 H new ATOM 0 HB2 ALA A 658 3.520 -3.102 3.468 1.00 11.44 H new ATOM 0 HB3 ALA A 658 3.593 -2.483 5.135 1.00 11.44 H new ATOM 1162 N MET A 659 5.241 -0.256 5.814 1.00 23.43 N ATOM 1163 CA MET A 659 5.319 0.936 6.675 1.00 62.13 C ATOM 1164 C MET A 659 6.423 1.855 6.218 1.00 11.23 C ATOM 1165 O MET A 659 6.234 3.066 6.149 1.00 70.21 O ATOM 1166 CB MET A 659 5.537 0.548 8.127 1.00 65.42 C ATOM 1167 CG MET A 659 4.520 -0.454 8.607 1.00 41.52 C ATOM 1168 SD MET A 659 4.739 -1.028 10.289 1.00 12.14 S ATOM 1169 CE MET A 659 4.340 0.432 11.195 1.00 33.34 C ATOM 0 H MET A 659 5.408 -1.136 6.302 1.00 23.43 H new ATOM 0 HA MET A 659 4.368 1.462 6.596 1.00 62.13 H new ATOM 0 HB2 MET A 659 6.538 0.132 8.244 1.00 65.42 H new ATOM 0 HB3 MET A 659 5.488 1.440 8.751 1.00 65.42 H new ATOM 0 HG2 MET A 659 3.528 -0.010 8.519 1.00 41.52 H new ATOM 0 HG3 MET A 659 4.543 -1.317 7.941 1.00 41.52 H new ATOM 0 HE1 MET A 659 3.850 0.158 12.129 1.00 33.34 H new ATOM 0 HE2 MET A 659 5.253 0.986 11.413 1.00 33.34 H new ATOM 0 HE3 MET A 659 3.670 1.056 10.603 1.00 33.34 H new ATOM 1179 N GLU A 660 7.564 1.281 5.862 1.00 24.24 N ATOM 1180 CA GLU A 660 8.673 2.072 5.381 1.00 65.23 C ATOM 1181 C GLU A 660 8.336 2.707 4.034 1.00 32.52 C ATOM 1182 O GLU A 660 8.633 3.884 3.795 1.00 1.45 O ATOM 1183 CB GLU A 660 9.934 1.235 5.298 1.00 23.34 C ATOM 1184 CG GLU A 660 10.417 0.734 6.647 1.00 35.23 C ATOM 1185 CD GLU A 660 11.657 -0.107 6.537 1.00 22.34 C ATOM 1186 OE1 GLU A 660 12.728 0.443 6.223 1.00 43.24 O ATOM 1187 OE2 GLU A 660 11.579 -1.336 6.732 1.00 63.42 O ATOM 0 H GLU A 660 7.739 0.277 5.899 1.00 24.24 H new ATOM 0 HA GLU A 660 8.857 2.877 6.092 1.00 65.23 H new ATOM 0 HB2 GLU A 660 9.752 0.381 4.646 1.00 23.34 H new ATOM 0 HB3 GLU A 660 10.724 1.827 4.835 1.00 23.34 H new ATOM 0 HG2 GLU A 660 10.616 1.586 7.298 1.00 35.23 H new ATOM 0 HG3 GLU A 660 9.626 0.150 7.119 1.00 35.23 H new ATOM 1194 N THR A 661 7.683 1.940 3.169 1.00 74.33 N ATOM 1195 CA THR A 661 7.266 2.446 1.884 1.00 3.32 C ATOM 1196 C THR A 661 6.201 3.538 2.073 1.00 21.45 C ATOM 1197 O THR A 661 6.212 4.550 1.392 1.00 64.11 O ATOM 1198 CB THR A 661 6.706 1.311 1.018 1.00 71.44 C ATOM 1199 OG1 THR A 661 7.713 0.288 0.886 1.00 20.42 O ATOM 1200 CG2 THR A 661 6.312 1.817 -0.361 1.00 3.43 C ATOM 0 H THR A 661 7.435 0.966 3.342 1.00 74.33 H new ATOM 0 HA THR A 661 8.132 2.874 1.379 1.00 3.32 H new ATOM 0 HB THR A 661 5.814 0.909 1.499 1.00 71.44 H new ATOM 0 HG1 THR A 661 7.664 -0.320 1.653 1.00 20.42 H new ATOM 0 HG21 THR A 661 5.918 0.991 -0.953 1.00 3.43 H new ATOM 0 HG22 THR A 661 5.548 2.588 -0.261 1.00 3.43 H new ATOM 0 HG23 THR A 661 7.187 2.235 -0.859 1.00 3.43 H new ATOM 1208 N LEU A 662 5.319 3.312 3.020 1.00 71.34 N ATOM 1209 CA LEU A 662 4.249 4.227 3.371 1.00 25.31 C ATOM 1210 C LEU A 662 4.800 5.577 3.800 1.00 61.05 C ATOM 1211 O LEU A 662 4.411 6.609 3.242 1.00 11.22 O ATOM 1212 CB LEU A 662 3.369 3.583 4.466 1.00 40.04 C ATOM 1213 CG LEU A 662 2.255 4.420 5.090 1.00 10.51 C ATOM 1214 CD1 LEU A 662 1.299 4.947 4.029 1.00 45.12 C ATOM 1215 CD2 LEU A 662 1.490 3.575 6.100 1.00 10.23 C ATOM 0 H LEU A 662 5.324 2.463 3.585 1.00 71.34 H new ATOM 0 HA LEU A 662 3.628 4.413 2.495 1.00 25.31 H new ATOM 0 HB2 LEU A 662 2.914 2.688 4.042 1.00 40.04 H new ATOM 0 HB3 LEU A 662 4.027 3.255 5.270 1.00 40.04 H new ATOM 0 HG LEU A 662 2.708 5.276 5.590 1.00 10.51 H new ATOM 0 HD11 LEU A 662 0.517 5.539 4.505 1.00 45.12 H new ATOM 0 HD12 LEU A 662 1.847 5.571 3.323 1.00 45.12 H new ATOM 0 HD13 LEU A 662 0.847 4.109 3.498 1.00 45.12 H new ATOM 0 HD21 LEU A 662 0.695 4.172 6.546 1.00 10.23 H new ATOM 0 HD22 LEU A 662 1.056 2.711 5.597 1.00 10.23 H new ATOM 0 HD23 LEU A 662 2.171 3.237 6.881 1.00 10.23 H new ATOM 1227 N ARG A 663 5.724 5.558 4.752 1.00 44.44 N ATOM 1228 CA ARG A 663 6.357 6.782 5.249 1.00 50.33 C ATOM 1229 C ARG A 663 6.995 7.560 4.103 1.00 23.25 C ATOM 1230 O ARG A 663 6.750 8.757 3.931 1.00 24.50 O ATOM 1231 CB ARG A 663 7.417 6.439 6.300 1.00 54.04 C ATOM 1232 CG ARG A 663 6.852 5.763 7.531 1.00 31.42 C ATOM 1233 CD ARG A 663 7.930 5.388 8.529 1.00 4.54 C ATOM 1234 NE ARG A 663 8.637 6.553 9.071 1.00 0.34 N ATOM 1235 CZ ARG A 663 9.517 6.499 10.086 1.00 22.43 C ATOM 1236 NH1 ARG A 663 9.758 5.336 10.704 1.00 65.44 N ATOM 1237 NH2 ARG A 663 10.137 7.606 10.496 1.00 31.45 N ATOM 0 H ARG A 663 6.056 4.704 5.201 1.00 44.44 H new ATOM 0 HA ARG A 663 5.588 7.404 5.707 1.00 50.33 H new ATOM 0 HB2 ARG A 663 8.166 5.788 5.850 1.00 54.04 H new ATOM 0 HB3 ARG A 663 7.929 7.354 6.600 1.00 54.04 H new ATOM 0 HG2 ARG A 663 6.133 6.428 8.010 1.00 31.42 H new ATOM 0 HG3 ARG A 663 6.308 4.866 7.233 1.00 31.42 H new ATOM 0 HD2 ARG A 663 7.480 4.829 9.349 1.00 4.54 H new ATOM 0 HD3 ARG A 663 8.649 4.725 8.048 1.00 4.54 H new ATOM 0 HE ARG A 663 8.449 7.463 8.651 1.00 0.34 H new ATOM 0 HH11 ARG A 663 9.274 4.490 10.405 1.00 65.44 H new ATOM 0 HH12 ARG A 663 10.426 5.296 11.474 1.00 65.44 H new ATOM 0 HH21 ARG A 663 9.944 8.497 10.039 1.00 31.45 H new ATOM 0 HH22 ARG A 663 10.804 7.561 11.266 1.00 31.45 H new ATOM 1251 N ARG A 664 7.765 6.859 3.296 1.00 3.13 N ATOM 1252 CA ARG A 664 8.457 7.468 2.176 1.00 73.34 C ATOM 1253 C ARG A 664 7.486 7.959 1.112 1.00 54.21 C ATOM 1254 O ARG A 664 7.622 9.053 0.621 1.00 44.24 O ATOM 1255 CB ARG A 664 9.480 6.496 1.581 1.00 54.02 C ATOM 1256 CG ARG A 664 10.273 7.070 0.422 1.00 31.12 C ATOM 1257 CD ARG A 664 11.300 6.079 -0.112 1.00 13.53 C ATOM 1258 NE ARG A 664 12.280 5.673 0.916 1.00 53.42 N ATOM 1259 CZ ARG A 664 13.495 5.164 0.664 1.00 31.04 C ATOM 1260 NH1 ARG A 664 13.921 5.037 -0.589 1.00 52.22 N ATOM 1261 NH2 ARG A 664 14.282 4.795 1.670 1.00 51.43 N ATOM 0 H ARG A 664 7.929 5.857 3.396 1.00 3.13 H new ATOM 0 HA ARG A 664 8.990 8.341 2.552 1.00 73.34 H new ATOM 0 HB2 ARG A 664 10.172 6.188 2.365 1.00 54.02 H new ATOM 0 HB3 ARG A 664 8.961 5.599 1.244 1.00 54.02 H new ATOM 0 HG2 ARG A 664 9.591 7.353 -0.380 1.00 31.12 H new ATOM 0 HG3 ARG A 664 10.780 7.979 0.744 1.00 31.12 H new ATOM 0 HD2 ARG A 664 10.786 5.195 -0.489 1.00 13.53 H new ATOM 0 HD3 ARG A 664 11.827 6.525 -0.956 1.00 13.53 H new ATOM 0 HE ARG A 664 12.012 5.789 1.893 1.00 53.42 H new ATOM 0 HH11 ARG A 664 13.323 5.327 -1.363 1.00 52.22 H new ATOM 0 HH12 ARG A 664 14.846 4.649 -0.776 1.00 52.22 H new ATOM 0 HH21 ARG A 664 13.962 4.899 2.633 1.00 51.43 H new ATOM 0 HH22 ARG A 664 15.206 4.408 1.479 1.00 51.43 H new ATOM 1275 N SER A 665 6.494 7.180 0.796 1.00 33.11 N ATOM 1276 CA SER A 665 5.573 7.546 -0.254 1.00 55.34 C ATOM 1277 C SER A 665 4.688 8.710 0.162 1.00 12.35 C ATOM 1278 O SER A 665 4.301 9.520 -0.665 1.00 42.43 O ATOM 1279 CB SER A 665 4.732 6.351 -0.693 1.00 53.54 C ATOM 1280 OG SER A 665 5.566 5.290 -1.120 1.00 1.25 O ATOM 0 H SER A 665 6.297 6.286 1.246 1.00 33.11 H new ATOM 0 HA SER A 665 6.167 7.871 -1.109 1.00 55.34 H new ATOM 0 HB2 SER A 665 4.103 6.018 0.133 1.00 53.54 H new ATOM 0 HB3 SER A 665 4.065 6.646 -1.503 1.00 53.54 H new ATOM 0 HG SER A 665 5.818 4.741 -0.348 1.00 1.25 H new ATOM 1286 N MET A 666 4.379 8.817 1.436 1.00 74.13 N ATOM 1287 CA MET A 666 3.551 9.919 1.871 1.00 54.31 C ATOM 1288 C MET A 666 4.372 11.195 1.958 1.00 31.13 C ATOM 1289 O MET A 666 3.894 12.262 1.619 1.00 32.45 O ATOM 1290 CB MET A 666 2.798 9.626 3.185 1.00 41.11 C ATOM 1291 CG MET A 666 3.656 9.486 4.434 1.00 22.23 C ATOM 1292 SD MET A 666 2.694 9.051 5.877 1.00 73.10 S ATOM 1293 CE MET A 666 1.459 10.351 5.891 1.00 43.24 C ATOM 0 H MET A 666 4.678 8.175 2.170 1.00 74.13 H new ATOM 0 HA MET A 666 2.776 10.059 1.117 1.00 54.31 H new ATOM 0 HB2 MET A 666 2.077 10.426 3.352 1.00 41.11 H new ATOM 0 HB3 MET A 666 2.228 8.706 3.056 1.00 41.11 H new ATOM 0 HG2 MET A 666 4.417 8.724 4.265 1.00 22.23 H new ATOM 0 HG3 MET A 666 4.179 10.424 4.619 1.00 22.23 H new ATOM 0 HE1 MET A 666 0.975 10.383 6.867 1.00 43.24 H new ATOM 0 HE2 MET A 666 1.938 11.310 5.692 1.00 43.24 H new ATOM 0 HE3 MET A 666 0.712 10.152 5.122 1.00 43.24 H new ATOM 1303 N SER A 667 5.622 11.060 2.356 1.00 54.25 N ATOM 1304 CA SER A 667 6.517 12.192 2.476 1.00 42.15 C ATOM 1305 C SER A 667 7.006 12.635 1.082 1.00 3.02 C ATOM 1306 O SER A 667 6.950 13.824 0.729 1.00 53.35 O ATOM 1307 CB SER A 667 7.709 11.803 3.372 1.00 74.13 C ATOM 1308 OG SER A 667 8.594 12.888 3.593 1.00 65.45 O ATOM 0 H SER A 667 6.044 10.165 2.604 1.00 54.25 H new ATOM 0 HA SER A 667 5.987 13.029 2.930 1.00 42.15 H new ATOM 0 HB2 SER A 667 7.337 11.440 4.330 1.00 74.13 H new ATOM 0 HB3 SER A 667 8.255 10.981 2.910 1.00 74.13 H new ATOM 0 HG SER A 667 9.333 12.596 4.167 1.00 65.45 H new ATOM 1314 N THR A 668 7.456 11.682 0.293 1.00 11.23 N ATOM 1315 CA THR A 668 7.980 11.964 -1.016 1.00 2.15 C ATOM 1316 C THR A 668 6.882 12.272 -2.017 1.00 74.25 C ATOM 1317 O THR A 668 6.931 13.285 -2.696 1.00 71.50 O ATOM 1318 CB THR A 668 8.882 10.826 -1.504 1.00 3.24 C ATOM 1319 OG1 THR A 668 9.969 10.659 -0.569 1.00 3.43 O ATOM 1320 CG2 THR A 668 9.445 11.103 -2.892 1.00 1.13 C ATOM 0 H THR A 668 7.467 10.694 0.545 1.00 11.23 H new ATOM 0 HA THR A 668 8.590 12.863 -0.933 1.00 2.15 H new ATOM 0 HB THR A 668 8.283 9.918 -1.566 1.00 3.24 H new ATOM 0 HG1 THR A 668 9.680 10.082 0.168 1.00 3.43 H new ATOM 0 HG21 THR A 668 10.079 10.272 -3.200 1.00 1.13 H new ATOM 0 HG22 THR A 668 8.625 11.216 -3.601 1.00 1.13 H new ATOM 0 HG23 THR A 668 10.034 12.020 -2.869 1.00 1.13 H new ATOM 1328 N GLU A 669 5.895 11.435 -2.096 1.00 41.45 N ATOM 1329 CA GLU A 669 4.830 11.682 -3.049 1.00 10.00 C ATOM 1330 C GLU A 669 3.751 12.570 -2.488 1.00 55.24 C ATOM 1331 O GLU A 669 3.482 13.619 -3.036 1.00 30.14 O ATOM 1332 CB GLU A 669 4.240 10.399 -3.623 1.00 55.04 C ATOM 1333 CG GLU A 669 5.182 9.634 -4.518 1.00 42.22 C ATOM 1334 CD GLU A 669 5.611 10.458 -5.710 1.00 3.12 C ATOM 1335 OE1 GLU A 669 4.782 10.683 -6.621 1.00 35.03 O ATOM 1336 OE2 GLU A 669 6.773 10.898 -5.754 1.00 45.53 O ATOM 0 H GLU A 669 5.794 10.591 -1.532 1.00 41.45 H new ATOM 0 HA GLU A 669 5.298 12.217 -3.876 1.00 10.00 H new ATOM 0 HB2 GLU A 669 3.933 9.753 -2.800 1.00 55.04 H new ATOM 0 HB3 GLU A 669 3.341 10.646 -4.187 1.00 55.04 H new ATOM 0 HG2 GLU A 669 6.061 9.332 -3.948 1.00 42.22 H new ATOM 0 HG3 GLU A 669 4.696 8.721 -4.862 1.00 42.22 H new ATOM 1343 N GLY A 670 3.174 12.169 -1.373 1.00 12.20 N ATOM 1344 CA GLY A 670 2.039 12.891 -0.791 1.00 33.31 C ATOM 1345 C GLY A 670 2.281 14.384 -0.605 1.00 2.34 C ATOM 1346 O GLY A 670 1.585 15.212 -1.205 1.00 50.14 O ATOM 0 H GLY A 670 3.466 11.347 -0.844 1.00 12.20 H new ATOM 0 HA2 GLY A 670 1.167 12.752 -1.430 1.00 33.31 H new ATOM 0 HA3 GLY A 670 1.799 12.449 0.176 1.00 33.31 H new ATOM 1350 N ASN A 671 3.296 14.727 0.165 1.00 60.23 N ATOM 1351 CA ASN A 671 3.587 16.136 0.489 1.00 4.02 C ATOM 1352 C ASN A 671 4.111 16.937 -0.698 1.00 4.43 C ATOM 1353 O ASN A 671 4.307 18.143 -0.600 1.00 12.22 O ATOM 1354 CB ASN A 671 4.565 16.256 1.665 1.00 14.30 C ATOM 1355 CG ASN A 671 3.992 15.769 2.980 1.00 12.34 C ATOM 1356 OD1 ASN A 671 4.101 14.599 3.326 1.00 53.42 O ATOM 1357 ND2 ASN A 671 3.392 16.664 3.728 1.00 53.23 N ATOM 0 H ASN A 671 3.941 14.058 0.585 1.00 60.23 H new ATOM 0 HA ASN A 671 2.627 16.567 0.773 1.00 4.02 H new ATOM 0 HB2 ASN A 671 5.466 15.686 1.437 1.00 14.30 H new ATOM 0 HB3 ASN A 671 4.865 17.298 1.772 1.00 14.30 H new ATOM 0 HD21 ASN A 671 2.998 16.394 4.629 1.00 53.23 H new ATOM 0 HD22 ASN A 671 3.319 17.630 3.408 1.00 53.23 H new ATOM 1364 N LYS A 672 4.335 16.286 -1.813 1.00 55.11 N ATOM 1365 CA LYS A 672 4.854 16.980 -2.974 1.00 75.23 C ATOM 1366 C LYS A 672 3.845 17.008 -4.113 1.00 34.40 C ATOM 1367 O LYS A 672 3.843 17.933 -4.931 1.00 12.24 O ATOM 1368 CB LYS A 672 6.198 16.403 -3.381 1.00 63.14 C ATOM 1369 CG LYS A 672 7.227 16.556 -2.270 1.00 10.13 C ATOM 1370 CD LYS A 672 8.562 15.932 -2.624 1.00 44.15 C ATOM 1371 CE LYS A 672 9.587 16.122 -1.504 1.00 43.01 C ATOM 1372 NZ LYS A 672 9.159 15.521 -0.213 1.00 14.43 N ATOM 0 H LYS A 672 4.170 15.288 -1.945 1.00 55.11 H new ATOM 0 HA LYS A 672 5.023 18.023 -2.707 1.00 75.23 H new ATOM 0 HB2 LYS A 672 6.083 15.348 -3.629 1.00 63.14 H new ATOM 0 HB3 LYS A 672 6.554 16.905 -4.281 1.00 63.14 H new ATOM 0 HG2 LYS A 672 7.370 17.615 -2.056 1.00 10.13 H new ATOM 0 HG3 LYS A 672 6.845 16.095 -1.359 1.00 10.13 H new ATOM 0 HD2 LYS A 672 8.427 14.868 -2.818 1.00 44.15 H new ATOM 0 HD3 LYS A 672 8.940 16.378 -3.544 1.00 44.15 H new ATOM 0 HE2 LYS A 672 10.535 15.678 -1.808 1.00 43.01 H new ATOM 0 HE3 LYS A 672 9.766 17.188 -1.360 1.00 43.01 H new ATOM 0 HZ1 LYS A 672 8.924 16.277 0.461 1.00 14.43 H new ATOM 0 HZ2 LYS A 672 8.322 14.924 -0.369 1.00 14.43 H new ATOM 0 HZ3 LYS A 672 9.931 14.941 0.173 1.00 14.43 H new ATOM 1386 N ARG A 673 2.981 16.011 -4.165 1.00 61.42 N ATOM 1387 CA ARG A 673 1.893 16.004 -5.131 1.00 2.04 C ATOM 1388 C ARG A 673 0.820 16.961 -4.661 1.00 42.55 C ATOM 1389 O ARG A 673 0.057 17.512 -5.456 1.00 41.24 O ATOM 1390 CB ARG A 673 1.255 14.615 -5.263 1.00 12.30 C ATOM 1391 CG ARG A 673 2.137 13.513 -5.826 1.00 75.33 C ATOM 1392 CD ARG A 673 1.340 12.220 -5.901 1.00 31.54 C ATOM 1393 NE ARG A 673 2.091 11.097 -6.463 1.00 64.22 N ATOM 1394 CZ ARG A 673 1.527 9.995 -6.969 1.00 13.32 C ATOM 1395 NH1 ARG A 673 0.201 9.855 -6.969 1.00 61.52 N ATOM 1396 NH2 ARG A 673 2.293 9.035 -7.457 1.00 22.43 N ATOM 0 H ARG A 673 3.009 15.196 -3.552 1.00 61.42 H new ATOM 0 HA ARG A 673 2.304 16.295 -6.098 1.00 2.04 H new ATOM 0 HB2 ARG A 673 0.908 14.304 -4.277 1.00 12.30 H new ATOM 0 HB3 ARG A 673 0.373 14.704 -5.898 1.00 12.30 H new ATOM 0 HG2 ARG A 673 2.497 13.790 -6.817 1.00 75.33 H new ATOM 0 HG3 ARG A 673 3.015 13.376 -5.195 1.00 75.33 H new ATOM 0 HD2 ARG A 673 1.001 11.954 -4.900 1.00 31.54 H new ATOM 0 HD3 ARG A 673 0.448 12.388 -6.505 1.00 31.54 H new ATOM 0 HE ARG A 673 3.109 11.159 -6.469 1.00 64.22 H new ATOM 0 HH11 ARG A 673 -0.390 10.591 -6.582 1.00 61.52 H new ATOM 0 HH12 ARG A 673 -0.223 9.012 -7.356 1.00 61.52 H new ATOM 0 HH21 ARG A 673 3.308 9.137 -7.446 1.00 22.43 H new ATOM 0 HH22 ARG A 673 1.869 8.192 -7.844 1.00 22.43 H new ATOM 1410 N GLY A 674 0.764 17.149 -3.351 1.00 63.44 N ATOM 1411 CA GLY A 674 -0.250 17.991 -2.759 1.00 24.52 C ATOM 1412 C GLY A 674 -1.380 17.158 -2.206 1.00 75.32 C ATOM 1413 O GLY A 674 -2.143 17.595 -1.343 1.00 63.11 O ATOM 0 H GLY A 674 1.410 16.728 -2.683 1.00 63.44 H new ATOM 0 HA2 GLY A 674 0.189 18.592 -1.962 1.00 24.52 H new ATOM 0 HA3 GLY A 674 -0.635 18.685 -3.506 1.00 24.52 H new ATOM 1417 N MET A 675 -1.478 15.947 -2.704 1.00 73.10 N ATOM 1418 CA MET A 675 -2.475 15.010 -2.270 1.00 24.22 C ATOM 1419 C MET A 675 -1.918 13.618 -2.327 1.00 14.51 C ATOM 1420 O MET A 675 -0.999 13.327 -3.104 1.00 74.35 O ATOM 1421 CB MET A 675 -3.779 15.107 -3.091 1.00 64.13 C ATOM 1422 CG MET A 675 -3.598 14.863 -4.581 1.00 45.54 C ATOM 1423 SD MET A 675 -5.139 14.969 -5.525 1.00 14.24 S ATOM 1424 CE MET A 675 -5.633 16.668 -5.199 1.00 54.05 C ATOM 0 H MET A 675 -0.859 15.586 -3.429 1.00 73.10 H new ATOM 0 HA MET A 675 -2.736 15.260 -1.242 1.00 24.22 H new ATOM 0 HB2 MET A 675 -4.495 14.384 -2.700 1.00 64.13 H new ATOM 0 HB3 MET A 675 -4.213 16.096 -2.946 1.00 64.13 H new ATOM 0 HG2 MET A 675 -2.889 15.590 -4.976 1.00 45.54 H new ATOM 0 HG3 MET A 675 -3.158 13.876 -4.728 1.00 45.54 H new ATOM 0 HE1 MET A 675 -6.365 16.983 -5.943 1.00 54.05 H new ATOM 0 HE2 MET A 675 -6.075 16.734 -4.205 1.00 54.05 H new ATOM 0 HE3 MET A 675 -4.759 17.317 -5.252 1.00 54.05 H new ATOM 1434 N ILE A 676 -2.454 12.793 -1.518 1.00 4.45 N ATOM 1435 CA ILE A 676 -2.054 11.438 -1.391 1.00 12.32 C ATOM 1436 C ILE A 676 -3.246 10.509 -1.661 1.00 74.13 C ATOM 1437 O ILE A 676 -4.381 10.847 -1.370 1.00 61.15 O ATOM 1438 CB ILE A 676 -1.432 11.185 0.015 1.00 34.21 C ATOM 1439 CG1 ILE A 676 -1.155 9.696 0.224 1.00 24.41 C ATOM 1440 CG2 ILE A 676 -2.328 11.739 1.102 1.00 51.41 C ATOM 1441 CD1 ILE A 676 -0.422 9.350 1.474 1.00 60.42 C ATOM 0 H ILE A 676 -3.220 13.049 -0.894 1.00 4.45 H new ATOM 0 HA ILE A 676 -1.286 11.219 -2.133 1.00 12.32 H new ATOM 0 HB ILE A 676 -0.478 11.710 0.071 1.00 34.21 H new ATOM 0 HG12 ILE A 676 -2.106 9.163 0.222 1.00 24.41 H new ATOM 0 HG13 ILE A 676 -0.582 9.328 -0.627 1.00 24.41 H new ATOM 0 HG21 ILE A 676 -1.876 11.552 2.076 1.00 51.41 H new ATOM 0 HG22 ILE A 676 -2.452 12.812 0.959 1.00 51.41 H new ATOM 0 HG23 ILE A 676 -3.302 11.252 1.054 1.00 51.41 H new ATOM 0 HD11 ILE A 676 -0.278 8.271 1.524 1.00 60.42 H new ATOM 0 HD12 ILE A 676 0.548 9.846 1.476 1.00 60.42 H new ATOM 0 HD13 ILE A 676 -1.000 9.679 2.338 1.00 60.42 H new ATOM 1453 N GLN A 677 -2.982 9.389 -2.269 1.00 11.03 N ATOM 1454 CA GLN A 677 -4.009 8.416 -2.587 1.00 13.11 C ATOM 1455 C GLN A 677 -3.842 7.181 -1.706 1.00 34.22 C ATOM 1456 O GLN A 677 -2.753 6.654 -1.591 1.00 75.40 O ATOM 1457 CB GLN A 677 -3.914 8.036 -4.064 1.00 30.01 C ATOM 1458 CG GLN A 677 -4.950 7.026 -4.499 1.00 43.52 C ATOM 1459 CD GLN A 677 -4.918 6.717 -5.987 1.00 5.51 C ATOM 1460 OE1 GLN A 677 -5.252 5.606 -6.407 1.00 52.44 O ATOM 1461 NE2 GLN A 677 -4.544 7.679 -6.794 1.00 14.31 N ATOM 0 H GLN A 677 -2.045 9.115 -2.564 1.00 11.03 H new ATOM 0 HA GLN A 677 -4.992 8.848 -2.397 1.00 13.11 H new ATOM 0 HB2 GLN A 677 -4.021 8.936 -4.669 1.00 30.01 H new ATOM 0 HB3 GLN A 677 -2.921 7.634 -4.263 1.00 30.01 H new ATOM 0 HG2 GLN A 677 -4.799 6.101 -3.942 1.00 43.52 H new ATOM 0 HG3 GLN A 677 -5.940 7.398 -4.236 1.00 43.52 H new ATOM 0 HE21 GLN A 677 -4.274 8.587 -6.415 1.00 14.31 H new ATOM 0 HE22 GLN A 677 -4.523 7.520 -7.801 1.00 14.31 H new ATOM 1470 N LEU A 678 -4.898 6.741 -1.075 1.00 54.43 N ATOM 1471 CA LEU A 678 -4.826 5.581 -0.205 1.00 32.54 C ATOM 1472 C LEU A 678 -5.808 4.536 -0.663 1.00 31.45 C ATOM 1473 O LEU A 678 -6.982 4.830 -0.869 1.00 22.05 O ATOM 1474 CB LEU A 678 -5.156 5.926 1.273 1.00 2.31 C ATOM 1475 CG LEU A 678 -4.345 7.018 1.975 1.00 34.25 C ATOM 1476 CD1 LEU A 678 -2.882 6.710 1.906 1.00 51.40 C ATOM 1477 CD2 LEU A 678 -4.660 8.407 1.435 1.00 22.31 C ATOM 0 H LEU A 678 -5.824 7.164 -1.143 1.00 54.43 H new ATOM 0 HA LEU A 678 -3.801 5.214 -0.259 1.00 32.54 H new ATOM 0 HB2 LEU A 678 -6.206 6.215 1.318 1.00 2.31 H new ATOM 0 HB3 LEU A 678 -5.052 5.011 1.856 1.00 2.31 H new ATOM 0 HG LEU A 678 -4.639 7.027 3.025 1.00 34.25 H new ATOM 0 HD11 LEU A 678 -2.320 7.497 2.410 1.00 51.40 H new ATOM 0 HD12 LEU A 678 -2.688 5.755 2.395 1.00 51.40 H new ATOM 0 HD13 LEU A 678 -2.571 6.653 0.863 1.00 51.40 H new ATOM 0 HD21 LEU A 678 -4.060 9.148 1.964 1.00 22.31 H new ATOM 0 HD22 LEU A 678 -4.428 8.445 0.371 1.00 22.31 H new ATOM 0 HD23 LEU A 678 -5.718 8.624 1.583 1.00 22.31 H new ATOM 1489 N ILE A 679 -5.343 3.337 -0.835 1.00 2.10 N ATOM 1490 CA ILE A 679 -6.215 2.247 -1.178 1.00 4.44 C ATOM 1491 C ILE A 679 -6.321 1.363 0.035 1.00 1.22 C ATOM 1492 O ILE A 679 -5.311 0.829 0.502 1.00 52.42 O ATOM 1493 CB ILE A 679 -5.723 1.381 -2.405 1.00 61.14 C ATOM 1494 CG1 ILE A 679 -5.621 2.191 -3.721 1.00 3.42 C ATOM 1495 CG2 ILE A 679 -6.652 0.190 -2.622 1.00 75.11 C ATOM 1496 CD1 ILE A 679 -4.528 3.231 -3.773 1.00 34.43 C ATOM 0 H ILE A 679 -4.359 3.084 -0.744 1.00 2.10 H new ATOM 0 HA ILE A 679 -7.172 2.673 -1.481 1.00 4.44 H new ATOM 0 HB ILE A 679 -4.719 1.040 -2.152 1.00 61.14 H new ATOM 0 HG12 ILE A 679 -5.470 1.492 -4.544 1.00 3.42 H new ATOM 0 HG13 ILE A 679 -6.576 2.687 -3.895 1.00 3.42 H new ATOM 0 HG21 ILE A 679 -6.300 -0.396 -3.471 1.00 75.11 H new ATOM 0 HG22 ILE A 679 -6.659 -0.433 -1.728 1.00 75.11 H new ATOM 0 HG23 ILE A 679 -7.662 0.548 -2.823 1.00 75.11 H new ATOM 0 HD11 ILE A 679 -4.551 3.735 -4.739 1.00 34.43 H new ATOM 0 HD12 ILE A 679 -4.683 3.961 -2.979 1.00 34.43 H new ATOM 0 HD13 ILE A 679 -3.560 2.748 -3.639 1.00 34.43 H new ATOM 1508 N VAL A 680 -7.504 1.227 0.554 1.00 33.41 N ATOM 1509 CA VAL A 680 -7.736 0.416 1.729 1.00 3.31 C ATOM 1510 C VAL A 680 -8.774 -0.651 1.431 1.00 73.10 C ATOM 1511 O VAL A 680 -9.550 -0.522 0.480 1.00 12.32 O ATOM 1512 CB VAL A 680 -8.169 1.268 2.959 1.00 24.01 C ATOM 1513 CG1 VAL A 680 -7.034 2.167 3.411 1.00 32.41 C ATOM 1514 CG2 VAL A 680 -9.401 2.104 2.642 1.00 32.22 C ATOM 0 H VAL A 680 -8.342 1.673 0.180 1.00 33.41 H new ATOM 0 HA VAL A 680 -6.791 -0.062 1.987 1.00 3.31 H new ATOM 0 HB VAL A 680 -8.420 0.581 3.767 1.00 24.01 H new ATOM 0 HG11 VAL A 680 -7.355 2.754 4.271 1.00 32.41 H new ATOM 0 HG12 VAL A 680 -6.175 1.556 3.689 1.00 32.41 H new ATOM 0 HG13 VAL A 680 -6.755 2.837 2.598 1.00 32.41 H new ATOM 0 HG21 VAL A 680 -9.680 2.688 3.519 1.00 32.22 H new ATOM 0 HG22 VAL A 680 -9.181 2.777 1.813 1.00 32.22 H new ATOM 0 HG23 VAL A 680 -10.226 1.447 2.367 1.00 32.22 H new ATOM 1524 N ALA A 681 -8.777 -1.687 2.214 1.00 61.44 N ATOM 1525 CA ALA A 681 -9.655 -2.799 2.017 1.00 61.03 C ATOM 1526 C ALA A 681 -10.460 -3.068 3.259 1.00 42.43 C ATOM 1527 O ALA A 681 -9.908 -3.279 4.344 1.00 54.12 O ATOM 1528 CB ALA A 681 -8.855 -4.034 1.665 1.00 34.13 C ATOM 0 H ALA A 681 -8.160 -1.784 3.020 1.00 61.44 H new ATOM 0 HA ALA A 681 -10.334 -2.556 1.200 1.00 61.03 H new ATOM 0 HB1 ALA A 681 -9.531 -4.876 1.517 1.00 34.13 H new ATOM 0 HB2 ALA A 681 -8.293 -3.854 0.749 1.00 34.13 H new ATOM 0 HB3 ALA A 681 -8.163 -4.263 2.476 1.00 34.13 H new ATOM 1534 N ARG A 682 -11.752 -3.101 3.111 1.00 31.34 N ATOM 1535 CA ARG A 682 -12.596 -3.381 4.230 1.00 0.42 C ATOM 1536 C ARG A 682 -13.213 -4.744 4.044 1.00 34.11 C ATOM 1537 O ARG A 682 -13.282 -5.254 2.910 1.00 44.05 O ATOM 1538 CB ARG A 682 -13.752 -2.391 4.356 1.00 14.03 C ATOM 1539 CG ARG A 682 -14.786 -2.507 3.246 1.00 11.50 C ATOM 1540 CD ARG A 682 -16.093 -1.951 3.710 1.00 34.30 C ATOM 1541 NE ARG A 682 -17.175 -2.136 2.747 1.00 64.14 N ATOM 1542 CZ ARG A 682 -18.474 -2.089 3.060 1.00 4.14 C ATOM 1543 NH1 ARG A 682 -18.862 -1.889 4.322 1.00 60.24 N ATOM 1544 NH2 ARG A 682 -19.374 -2.266 2.115 1.00 40.43 N ATOM 0 H ARG A 682 -12.240 -2.938 2.230 1.00 31.34 H new ATOM 0 HA ARG A 682 -11.973 -3.316 5.122 1.00 0.42 H new ATOM 0 HB2 ARG A 682 -14.245 -2.543 5.316 1.00 14.03 H new ATOM 0 HB3 ARG A 682 -13.351 -1.378 4.361 1.00 14.03 H new ATOM 0 HG2 ARG A 682 -14.445 -1.969 2.362 1.00 11.50 H new ATOM 0 HG3 ARG A 682 -14.907 -3.551 2.957 1.00 11.50 H new ATOM 0 HD2 ARG A 682 -16.369 -2.427 4.651 1.00 34.30 H new ATOM 0 HD3 ARG A 682 -15.975 -0.887 3.913 1.00 34.30 H new ATOM 0 HE ARG A 682 -16.924 -2.312 1.774 1.00 64.14 H new ATOM 0 HH11 ARG A 682 -18.165 -1.770 5.057 1.00 60.24 H new ATOM 0 HH12 ARG A 682 -19.855 -1.855 4.551 1.00 60.24 H new ATOM 0 HH21 ARG A 682 -19.078 -2.437 1.154 1.00 40.43 H new ATOM 0 HH22 ARG A 682 -20.367 -2.232 2.344 1.00 40.43 H new ATOM 1839 N GLU B 780 4.409 -3.293 15.391 1.00 63.22 N ATOM 1840 CA GLU B 780 4.673 -2.157 14.551 1.00 54.13 C ATOM 1841 C GLU B 780 3.506 -1.241 14.412 1.00 1.12 C ATOM 1842 O GLU B 780 2.464 -1.612 13.922 1.00 72.14 O ATOM 1843 CB GLU B 780 5.254 -2.571 13.224 1.00 63.54 C ATOM 1844 CG GLU B 780 6.696 -2.989 13.337 1.00 45.53 C ATOM 1845 CD GLU B 780 7.600 -1.822 13.681 1.00 22.24 C ATOM 1846 OE1 GLU B 780 7.664 -1.416 14.871 1.00 63.33 O ATOM 1847 OE2 GLU B 780 8.273 -1.296 12.773 1.00 22.44 O ATOM 0 HA GLU B 780 5.434 -1.567 15.061 1.00 54.13 H new ATOM 0 HB2 GLU B 780 4.670 -3.396 12.816 1.00 63.54 H new ATOM 0 HB3 GLU B 780 5.172 -1.743 12.520 1.00 63.54 H new ATOM 0 HG2 GLU B 780 6.791 -3.759 14.102 1.00 45.53 H new ATOM 0 HG3 GLU B 780 7.020 -3.433 12.396 1.00 45.53 H new ATOM 1854 N GLU B 781 3.723 -0.044 14.856 1.00 64.35 N ATOM 1855 CA GLU B 781 2.746 1.023 14.871 1.00 64.13 C ATOM 1856 C GLU B 781 3.331 2.269 14.267 1.00 63.32 C ATOM 1857 O GLU B 781 4.471 2.635 14.566 1.00 3.11 O ATOM 1858 CB GLU B 781 2.305 1.289 16.297 1.00 15.10 C ATOM 1859 CG GLU B 781 1.292 0.313 16.828 1.00 51.53 C ATOM 1860 CD GLU B 781 1.222 0.302 18.326 1.00 4.12 C ATOM 1861 OE1 GLU B 781 1.101 1.375 18.928 1.00 10.24 O ATOM 1862 OE2 GLU B 781 1.228 -0.775 18.923 1.00 14.24 O ATOM 0 H GLU B 781 4.625 0.240 15.238 1.00 64.35 H new ATOM 0 HA GLU B 781 1.880 0.724 14.280 1.00 64.13 H new ATOM 0 HB2 GLU B 781 3.182 1.272 16.944 1.00 15.10 H new ATOM 0 HB3 GLU B 781 1.887 2.294 16.353 1.00 15.10 H new ATOM 0 HG2 GLU B 781 0.310 0.561 16.425 1.00 51.53 H new ATOM 0 HG3 GLU B 781 1.538 -0.688 16.473 1.00 51.53 H new ATOM 1869 N LEU B 782 2.577 2.900 13.416 1.00 61.41 N ATOM 1870 CA LEU B 782 3.002 4.067 12.745 1.00 55.20 C ATOM 1871 C LEU B 782 1.890 5.086 12.729 1.00 1.35 C ATOM 1872 O LEU B 782 0.751 4.759 12.423 1.00 71.41 O ATOM 1873 CB LEU B 782 3.328 3.686 11.323 1.00 34.32 C ATOM 1874 CG LEU B 782 3.822 4.771 10.416 1.00 60.43 C ATOM 1875 CD1 LEU B 782 5.147 5.283 10.910 1.00 12.10 C ATOM 1876 CD2 LEU B 782 3.928 4.237 9.015 1.00 63.31 C ATOM 0 H LEU B 782 1.632 2.602 13.172 1.00 61.41 H new ATOM 0 HA LEU B 782 3.869 4.493 13.250 1.00 55.20 H new ATOM 0 HB2 LEU B 782 4.082 2.899 11.349 1.00 34.32 H new ATOM 0 HB3 LEU B 782 2.432 3.255 10.876 1.00 34.32 H new ATOM 0 HG LEU B 782 3.120 5.605 10.414 1.00 60.43 H new ATOM 0 HD11 LEU B 782 5.502 6.072 10.247 1.00 12.10 H new ATOM 0 HD12 LEU B 782 5.030 5.681 11.918 1.00 12.10 H new ATOM 0 HD13 LEU B 782 5.870 4.467 10.923 1.00 12.10 H new ATOM 0 HD21 LEU B 782 4.287 5.024 8.352 1.00 63.31 H new ATOM 0 HD22 LEU B 782 4.626 3.400 8.996 1.00 63.31 H new ATOM 0 HD23 LEU B 782 2.948 3.899 8.679 1.00 63.31 H new ATOM 1888 N ILE B 783 2.195 6.287 13.083 1.00 33.54 N ATOM 1889 CA ILE B 783 1.240 7.347 12.936 1.00 53.11 C ATOM 1890 C ILE B 783 1.558 8.072 11.662 1.00 34.21 C ATOM 1891 O ILE B 783 2.674 8.571 11.485 1.00 51.24 O ATOM 1892 CB ILE B 783 1.198 8.378 14.121 1.00 51.11 C ATOM 1893 CG1 ILE B 783 0.758 7.732 15.460 1.00 65.52 C ATOM 1894 CG2 ILE B 783 0.266 9.552 13.779 1.00 72.15 C ATOM 1895 CD1 ILE B 783 1.744 6.752 16.075 1.00 24.41 C ATOM 0 H ILE B 783 3.094 6.566 13.476 1.00 33.54 H new ATOM 0 HA ILE B 783 0.254 6.883 12.928 1.00 53.11 H new ATOM 0 HB ILE B 783 2.216 8.743 14.254 1.00 51.11 H new ATOM 0 HG12 ILE B 783 0.567 8.527 16.180 1.00 65.52 H new ATOM 0 HG13 ILE B 783 -0.188 7.214 15.299 1.00 65.52 H new ATOM 0 HG21 ILE B 783 0.248 10.257 14.610 1.00 72.15 H new ATOM 0 HG22 ILE B 783 0.629 10.056 12.884 1.00 72.15 H new ATOM 0 HG23 ILE B 783 -0.742 9.177 13.600 1.00 72.15 H new ATOM 0 HD11 ILE B 783 1.335 6.361 17.007 1.00 24.41 H new ATOM 0 HD12 ILE B 783 1.919 5.929 15.382 1.00 24.41 H new ATOM 0 HD13 ILE B 783 2.686 7.262 16.277 1.00 24.41 H new ATOM 1907 N ILE B 784 0.614 8.120 10.780 1.00 71.11 N ATOM 1908 CA ILE B 784 0.810 8.774 9.545 1.00 2.20 C ATOM 1909 C ILE B 784 0.204 10.138 9.575 1.00 22.43 C ATOM 1910 O ILE B 784 0.941 11.091 9.850 1.00 36.94 O ATOM 1911 CB ILE B 784 0.369 7.935 8.310 1.00 52.14 C ATOM 1912 CG1 ILE B 784 -1.014 7.295 8.504 1.00 1.35 C ATOM 1913 CG2 ILE B 784 1.421 6.892 7.969 1.00 24.42 C ATOM 1914 CD1 ILE B 784 -1.493 6.523 7.300 1.00 13.02 C ATOM 1915 OXT ILE B 784 -0.991 10.274 9.351 1.00 36.94 O ATOM 0 H ILE B 784 -0.310 7.705 10.903 1.00 71.11 H new ATOM 0 HA ILE B 784 1.886 8.889 9.413 1.00 2.20 H new ATOM 0 HB ILE B 784 0.278 8.619 7.466 1.00 52.14 H new ATOM 0 HG12 ILE B 784 -0.979 6.626 9.364 1.00 1.35 H new ATOM 0 HG13 ILE B 784 -1.738 8.076 8.737 1.00 1.35 H new ATOM 0 HG21 ILE B 784 1.095 6.316 7.103 1.00 24.42 H new ATOM 0 HG22 ILE B 784 2.364 7.388 7.740 1.00 24.42 H new ATOM 0 HG23 ILE B 784 1.559 6.223 8.819 1.00 24.42 H new ATOM 0 HD11 ILE B 784 -2.475 6.098 7.507 1.00 13.02 H new ATOM 0 HD12 ILE B 784 -1.560 7.192 6.442 1.00 13.02 H new ATOM 0 HD13 ILE B 784 -0.790 5.720 7.079 1.00 13.02 H new