USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 864 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 659 ASN : amide:sc= 0.878 K(o=-0.8,f=-13!) USER MOD Set 1.2: A 661 LYS NZ :NH3+ 149:sc= -1.67! (180deg=-3.62!) USER MOD Set 2.1: A 587 THR OG1 : rot 163:sc= 1.31 USER MOD Set 2.2: A 598 GLN : amide:sc= 0.0598 X(o=1.4,f=1.1) USER MOD Single : A 591 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 593 THR OG1 : rot -67:sc= 0.221 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot 121:sc= 1.2 USER MOD Single : A 609 THR OG1 : rot 179:sc= -0.996! USER MOD Single : A 610 LYS NZ :NH3+ -167:sc= -0.0305 (180deg=-0.181) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 10:sc= 0.739 USER MOD Single : A 615 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.14) USER MOD Single : A 618 THR OG1 : rot -50:sc= 1.75 USER MOD Single : A 620 LYS NZ :NH3+ 165:sc= -0.0264 (180deg=-0.202) USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= 1.11 K(o=1.1,f=-5.4!) USER MOD Single : A 626 ASN : amide:sc= 1.49 K(o=1.5,f=-6.9!) USER MOD Single : A 632 SER OG : rot 130:sc= 1.28 USER MOD Single : A 640 SER OG : rot -77:sc= 0.335 USER MOD Single : A 644 GLN : amide:sc= -2.38! C(o=-2.4!,f=-7.5!) USER MOD Single : A 646 SER OG : rot 178:sc= 0.546 USER MOD Single : A 648 SER OG : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 SER OG : rot 150:sc= 1.21 USER MOD Single : A 654 ASN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 658 SER OG : rot -72:sc= 0.221 USER MOD Single : A 663 SER OG : rot -111:sc= 0.565 USER MOD Single : A 664 TYR OH : rot 180:sc= -0.602 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 670 GLN : amide:sc= -2.3! K(o=-2.3!,f=-1.6) USER MOD Single : A 672 THR OG1 : rot 100:sc= 0.449 USER MOD Single : A 673 TYR OH : rot -165:sc= 1.24 USER MOD Single : A 677 THR OG1 : rot -140:sc= 0.602 USER MOD Single : A 679 TYR OH : rot 180:sc= 0.168 USER MOD Single : A 680 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 681 ASN : amide:sc= 0.141 K(o=0.14,f=-9.6!) USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 685 THR OG1 : rot 180:sc= 0 USER MOD Single : A 689 THR OG1 : rot 88:sc= -2.64! USER MOD Single : A 692 THR OG1 : rot 180:sc= 0 USER MOD Single : A 706 TYR OH : rot -22:sc= 1.45 USER MOD Single : A 707 GLN : amide:sc= -1.42! X(o=-1.4!,f=-1.5) USER MOD Single : A 712 SER OG : rot -30:sc= 0.117 USER MOD Single : A 713 THR OG1 : rot 180:sc= -0.0536 USER MOD Single : A 714 TYR OH : rot 30:sc= 0 USER MOD Single : A 715 ASN : amide:sc= -0.265 X(o=-0.27,f=0) USER MOD Single : A 719 TYR OH : rot 180:sc= 0.899 USER MOD Single : A 720 THR OG1 : rot 127:sc= 1.32 USER MOD Single : A 721 SER OG : rot 180:sc= 0 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 586 10.719 -9.384 11.038 1.00 43.23 N ATOM 115 CA ARG A 586 9.766 -9.488 9.967 1.00 21.12 C ATOM 116 C ARG A 586 10.526 -10.061 8.782 1.00 32.42 C ATOM 117 O ARG A 586 11.725 -9.804 8.641 1.00 72.13 O ATOM 118 CB ARG A 586 9.182 -8.097 9.614 1.00 1.53 C ATOM 119 CG ARG A 586 10.164 -7.157 8.945 1.00 63.52 C ATOM 120 CD ARG A 586 9.576 -5.770 8.729 1.00 3.15 C ATOM 121 NE ARG A 586 10.532 -4.873 8.057 1.00 1.34 N ATOM 122 CZ ARG A 586 10.221 -3.690 7.480 1.00 13.44 C ATOM 123 NH1 ARG A 586 8.970 -3.226 7.517 1.00 35.22 N ATOM 124 NH2 ARG A 586 11.163 -2.980 6.883 1.00 32.31 N ATOM 0 HA ARG A 586 8.925 -10.122 10.248 1.00 21.12 H new ATOM 0 HB2 ARG A 586 8.323 -8.233 8.957 1.00 1.53 H new ATOM 0 HB3 ARG A 586 8.814 -7.629 10.527 1.00 1.53 H new ATOM 0 HG2 ARG A 586 11.063 -7.078 9.557 1.00 63.52 H new ATOM 0 HG3 ARG A 586 10.468 -7.575 7.985 1.00 63.52 H new ATOM 0 HD2 ARG A 586 8.668 -5.848 8.131 1.00 3.15 H new ATOM 0 HD3 ARG A 586 9.289 -5.342 9.690 1.00 3.15 H new ATOM 0 HE ARG A 586 11.508 -5.168 8.024 1.00 1.34 H new ATOM 0 HH11 ARG A 586 8.240 -3.765 7.983 1.00 35.22 H new ATOM 0 HH12 ARG A 586 8.744 -2.333 7.079 1.00 35.22 H new ATOM 0 HH21 ARG A 586 12.123 -3.325 6.858 1.00 32.31 H new ATOM 0 HH22 ARG A 586 10.930 -2.088 6.447 1.00 32.31 H new ATOM 136 N THR A 587 9.894 -10.831 7.972 1.00 54.12 N ATOM 137 CA THR A 587 10.577 -11.381 6.836 1.00 63.04 C ATOM 138 C THR A 587 10.221 -10.548 5.620 1.00 4.04 C ATOM 139 O THR A 587 9.084 -10.146 5.479 1.00 23.34 O ATOM 140 CB THR A 587 10.179 -12.830 6.597 1.00 70.23 C ATOM 141 OG1 THR A 587 10.141 -13.515 7.859 1.00 50.22 O ATOM 142 CG2 THR A 587 11.238 -13.483 5.745 1.00 52.44 C ATOM 0 H THR A 587 8.914 -11.099 8.064 1.00 54.12 H new ATOM 0 HA THR A 587 11.651 -11.359 7.021 1.00 63.04 H new ATOM 0 HB THR A 587 9.206 -12.874 6.108 1.00 70.23 H new ATOM 0 HG1 THR A 587 9.634 -14.348 7.764 1.00 50.22 H new ATOM 0 HG21 THR A 587 10.969 -14.523 5.564 1.00 52.44 H new ATOM 0 HG22 THR A 587 11.315 -12.957 4.793 1.00 52.44 H new ATOM 0 HG23 THR A 587 12.197 -13.441 6.261 1.00 52.44 H new ATOM 148 N GLU A 588 11.176 -10.240 4.789 1.00 42.13 N ATOM 149 CA GLU A 588 10.908 -9.396 3.652 1.00 63.04 C ATOM 150 C GLU A 588 11.112 -10.129 2.336 1.00 70.22 C ATOM 151 O GLU A 588 11.979 -10.999 2.220 1.00 61.41 O ATOM 152 CB GLU A 588 11.770 -8.143 3.717 1.00 53.23 C ATOM 153 CG GLU A 588 11.570 -7.362 5.002 1.00 40.21 C ATOM 154 CD GLU A 588 12.373 -6.109 5.057 1.00 52.05 C ATOM 155 OE1 GLU A 588 13.540 -6.154 5.497 1.00 70.04 O ATOM 156 OE2 GLU A 588 11.860 -5.059 4.677 1.00 22.31 O ATOM 0 H GLU A 588 12.142 -10.556 4.873 1.00 42.13 H new ATOM 0 HA GLU A 588 9.858 -9.106 3.692 1.00 63.04 H new ATOM 0 HB2 GLU A 588 12.819 -8.424 3.627 1.00 53.23 H new ATOM 0 HB3 GLU A 588 11.537 -7.502 2.867 1.00 53.23 H new ATOM 0 HG2 GLU A 588 10.514 -7.114 5.109 1.00 40.21 H new ATOM 0 HG3 GLU A 588 11.836 -7.994 5.849 1.00 40.21 H new ATOM 163 N GLY A 589 10.291 -9.791 1.374 1.00 31.00 N ATOM 164 CA GLY A 589 10.393 -10.337 0.047 1.00 15.43 C ATOM 165 C GLY A 589 10.489 -9.213 -0.940 1.00 32.14 C ATOM 166 O GLY A 589 10.779 -8.085 -0.544 1.00 10.43 O ATOM 0 H GLY A 589 9.528 -9.124 1.492 1.00 31.00 H new ATOM 0 HA2 GLY A 589 11.270 -10.980 -0.029 1.00 15.43 H new ATOM 0 HA3 GLY A 589 9.524 -10.957 -0.172 1.00 15.43 H new ATOM 170 N ASP A 590 10.245 -9.475 -2.200 1.00 12.51 N ATOM 171 CA ASP A 590 10.330 -8.419 -3.197 1.00 13.30 C ATOM 172 C ASP A 590 9.371 -8.705 -4.349 1.00 22.24 C ATOM 173 O ASP A 590 9.070 -9.866 -4.634 1.00 10.13 O ATOM 174 CB ASP A 590 11.781 -8.265 -3.688 1.00 2.35 C ATOM 175 CG ASP A 590 11.984 -7.065 -4.584 1.00 63.42 C ATOM 176 OD1 ASP A 590 12.079 -5.933 -4.063 1.00 14.11 O ATOM 177 OD2 ASP A 590 12.057 -7.231 -5.807 1.00 22.51 O ATOM 0 H ASP A 590 9.989 -10.393 -2.563 1.00 12.51 H new ATOM 0 HA ASP A 590 10.033 -7.473 -2.745 1.00 13.30 H new ATOM 0 HB2 ASP A 590 12.442 -8.182 -2.826 1.00 2.35 H new ATOM 0 HB3 ASP A 590 12.072 -9.166 -4.227 1.00 2.35 H new ATOM 182 N ASN A 591 8.867 -7.651 -4.978 1.00 21.23 N ATOM 183 CA ASN A 591 7.898 -7.753 -6.087 1.00 33.02 C ATOM 184 C ASN A 591 6.567 -8.373 -5.688 1.00 32.52 C ATOM 185 O ASN A 591 6.286 -9.542 -5.998 1.00 71.33 O ATOM 186 CB ASN A 591 8.475 -8.400 -7.364 1.00 14.43 C ATOM 187 CG ASN A 591 9.325 -7.463 -8.209 1.00 60.20 C ATOM 188 OD1 ASN A 591 9.903 -6.491 -7.719 1.00 73.11 O ATOM 189 ND2 ASN A 591 9.424 -7.767 -9.484 1.00 50.52 N ATOM 0 H ASN A 591 9.114 -6.691 -4.739 1.00 21.23 H new ATOM 0 HA ASN A 591 7.685 -6.715 -6.342 1.00 33.02 H new ATOM 0 HB2 ASN A 591 9.078 -9.263 -7.080 1.00 14.43 H new ATOM 0 HB3 ASN A 591 7.651 -8.773 -7.973 1.00 14.43 H new ATOM 0 HD21 ASN A 591 9.994 -7.190 -10.103 1.00 50.52 H new ATOM 0 HD22 ASN A 591 8.931 -8.580 -9.854 1.00 50.52 H new ATOM 195 N CYS A 592 5.796 -7.608 -4.911 1.00 35.20 N ATOM 196 CA CYS A 592 4.416 -7.947 -4.496 1.00 64.22 C ATOM 197 C CYS A 592 4.307 -9.268 -3.741 1.00 54.54 C ATOM 198 O CYS A 592 3.209 -9.807 -3.575 1.00 4.01 O ATOM 199 CB CYS A 592 3.479 -7.955 -5.700 1.00 52.52 C ATOM 200 SG CYS A 592 3.309 -6.351 -6.541 1.00 41.43 S ATOM 0 H CYS A 592 6.114 -6.713 -4.540 1.00 35.20 H new ATOM 0 HA CYS A 592 4.116 -7.166 -3.797 1.00 64.22 H new ATOM 0 HB2 CYS A 592 3.840 -8.691 -6.419 1.00 52.52 H new ATOM 0 HB3 CYS A 592 2.493 -8.285 -5.374 1.00 52.52 H new ATOM 205 N THR A 593 5.415 -9.762 -3.242 1.00 55.14 N ATOM 206 CA THR A 593 5.424 -11.006 -2.541 1.00 40.13 C ATOM 207 C THR A 593 6.343 -10.933 -1.356 1.00 24.53 C ATOM 208 O THR A 593 7.307 -10.157 -1.345 1.00 3.03 O ATOM 209 CB THR A 593 5.845 -12.200 -3.452 1.00 4.42 C ATOM 210 OG1 THR A 593 7.076 -11.900 -4.122 1.00 23.40 O ATOM 211 CG2 THR A 593 4.782 -12.544 -4.480 1.00 34.22 C ATOM 0 H THR A 593 6.326 -9.310 -3.314 1.00 55.14 H new ATOM 0 HA THR A 593 4.402 -11.186 -2.208 1.00 40.13 H new ATOM 0 HB THR A 593 5.974 -13.066 -2.803 1.00 4.42 H new ATOM 0 HG1 THR A 593 6.932 -11.170 -4.760 1.00 23.40 H new ATOM 0 HG21 THR A 593 5.123 -13.381 -5.089 1.00 34.22 H new ATOM 0 HG22 THR A 593 3.858 -12.818 -3.970 1.00 34.22 H new ATOM 0 HG23 THR A 593 4.601 -11.680 -5.119 1.00 34.22 H new ATOM 217 N VAL A 594 6.028 -11.701 -0.370 1.00 73.10 N ATOM 218 CA VAL A 594 6.832 -11.842 0.796 1.00 31.13 C ATOM 219 C VAL A 594 6.828 -13.293 1.212 1.00 21.14 C ATOM 220 O VAL A 594 5.794 -13.939 1.195 1.00 65.24 O ATOM 221 CB VAL A 594 6.394 -10.900 1.949 1.00 12.44 C ATOM 222 CG1 VAL A 594 4.899 -11.009 2.228 1.00 12.43 C ATOM 223 CG2 VAL A 594 7.184 -11.214 3.193 1.00 63.24 C ATOM 0 H VAL A 594 5.178 -12.265 -0.352 1.00 73.10 H new ATOM 0 HA VAL A 594 7.851 -11.536 0.557 1.00 31.13 H new ATOM 0 HB VAL A 594 6.595 -9.874 1.642 1.00 12.44 H new ATOM 0 HG11 VAL A 594 4.631 -10.335 3.041 1.00 12.43 H new ATOM 0 HG12 VAL A 594 4.341 -10.737 1.332 1.00 12.43 H new ATOM 0 HG13 VAL A 594 4.655 -12.033 2.510 1.00 12.43 H new ATOM 0 HG21 VAL A 594 6.873 -10.550 3.999 1.00 63.24 H new ATOM 0 HG22 VAL A 594 7.006 -12.249 3.486 1.00 63.24 H new ATOM 0 HG23 VAL A 594 8.246 -11.071 2.995 1.00 63.24 H new ATOM 229 N PHE A 595 7.970 -13.802 1.552 1.00 1.44 N ATOM 230 CA PHE A 595 8.107 -15.192 1.841 1.00 74.22 C ATOM 231 C PHE A 595 8.879 -15.408 3.117 1.00 31.31 C ATOM 232 O PHE A 595 9.814 -14.680 3.403 1.00 3.34 O ATOM 233 CB PHE A 595 8.818 -15.900 0.658 1.00 62.44 C ATOM 234 CG PHE A 595 10.182 -15.331 0.329 1.00 1.44 C ATOM 235 CD1 PHE A 595 10.304 -14.221 -0.495 1.00 33.13 C ATOM 236 CD2 PHE A 595 11.335 -15.898 0.853 1.00 44.12 C ATOM 237 CE1 PHE A 595 11.538 -13.691 -0.786 1.00 53.23 C ATOM 238 CE2 PHE A 595 12.573 -15.369 0.561 1.00 44.12 C ATOM 239 CZ PHE A 595 12.673 -14.263 -0.259 1.00 54.42 C ATOM 0 H PHE A 595 8.833 -13.265 1.637 1.00 1.44 H new ATOM 0 HA PHE A 595 7.113 -15.618 1.976 1.00 74.22 H new ATOM 0 HB2 PHE A 595 8.925 -16.959 0.893 1.00 62.44 H new ATOM 0 HB3 PHE A 595 8.184 -15.832 -0.226 1.00 62.44 H new ATOM 0 HD1 PHE A 595 9.417 -13.768 -0.913 1.00 33.13 H new ATOM 0 HD2 PHE A 595 11.261 -16.763 1.496 1.00 44.12 H new ATOM 0 HE1 PHE A 595 11.617 -12.826 -1.428 1.00 53.23 H new ATOM 0 HE2 PHE A 595 13.464 -15.819 0.973 1.00 44.12 H new ATOM 0 HZ PHE A 595 13.643 -13.846 -0.487 1.00 54.42 H new ATOM 249 N ASP A 596 8.467 -16.387 3.882 1.00 41.25 N ATOM 250 CA ASP A 596 9.203 -16.802 5.054 1.00 53.41 C ATOM 251 C ASP A 596 9.929 -18.059 4.704 1.00 53.31 C ATOM 252 O ASP A 596 9.298 -19.090 4.454 1.00 1.44 O ATOM 253 CB ASP A 596 8.277 -17.110 6.255 1.00 62.00 C ATOM 254 CG ASP A 596 7.584 -15.920 6.841 1.00 1.55 C ATOM 255 OD1 ASP A 596 8.200 -15.217 7.676 1.00 71.15 O ATOM 256 OD2 ASP A 596 6.417 -15.710 6.533 1.00 75.33 O ATOM 0 H ASP A 596 7.614 -16.919 3.712 1.00 41.25 H new ATOM 0 HA ASP A 596 9.872 -15.991 5.344 1.00 53.41 H new ATOM 0 HB2 ASP A 596 7.523 -17.831 5.938 1.00 62.00 H new ATOM 0 HB3 ASP A 596 8.867 -17.589 7.036 1.00 62.00 H new ATOM 261 N SER A 597 11.238 -17.996 4.695 1.00 72.25 N ATOM 262 CA SER A 597 12.067 -19.155 4.413 1.00 24.54 C ATOM 263 C SER A 597 11.945 -20.144 5.574 1.00 43.44 C ATOM 264 O SER A 597 12.119 -21.344 5.424 1.00 44.43 O ATOM 265 CB SER A 597 13.514 -18.699 4.253 1.00 63.50 C ATOM 266 OG SER A 597 13.601 -17.636 3.309 1.00 22.03 O ATOM 0 H SER A 597 11.764 -17.142 4.882 1.00 72.25 H new ATOM 0 HA SER A 597 11.744 -19.643 3.494 1.00 24.54 H new ATOM 0 HB2 SER A 597 13.907 -18.371 5.216 1.00 63.50 H new ATOM 0 HB3 SER A 597 14.131 -19.536 3.925 1.00 63.50 H new ATOM 0 HG SER A 597 14.535 -17.354 3.219 1.00 22.03 H new ATOM 272 N GLN A 598 11.615 -19.588 6.721 1.00 20.31 N ATOM 273 CA GLN A 598 11.445 -20.312 7.966 1.00 72.42 C ATOM 274 C GLN A 598 10.287 -21.306 7.866 1.00 0.34 C ATOM 275 O GLN A 598 10.404 -22.455 8.280 1.00 72.02 O ATOM 276 CB GLN A 598 11.078 -19.280 9.016 1.00 65.24 C ATOM 277 CG GLN A 598 12.110 -18.195 9.192 1.00 14.20 C ATOM 278 CD GLN A 598 11.523 -16.946 9.795 1.00 31.30 C ATOM 279 OE1 GLN A 598 11.474 -16.778 11.008 1.00 21.41 O ATOM 280 NE2 GLN A 598 11.091 -16.048 8.939 1.00 24.10 N ATOM 0 H GLN A 598 11.452 -18.586 6.817 1.00 20.31 H new ATOM 0 HA GLN A 598 12.357 -20.859 8.206 1.00 72.42 H new ATOM 0 HB2 GLN A 598 10.127 -18.823 8.745 1.00 65.24 H new ATOM 0 HB3 GLN A 598 10.929 -19.784 9.971 1.00 65.24 H new ATOM 0 HG2 GLN A 598 12.915 -18.561 9.830 1.00 14.20 H new ATOM 0 HG3 GLN A 598 12.553 -17.956 8.225 1.00 14.20 H new ATOM 0 HE21 GLN A 598 11.151 -16.228 7.937 1.00 24.10 H new ATOM 0 HE22 GLN A 598 10.696 -15.170 9.277 1.00 24.10 H new ATOM 288 N ALA A 599 9.178 -20.849 7.313 1.00 72.35 N ATOM 289 CA ALA A 599 7.984 -21.670 7.216 1.00 64.12 C ATOM 290 C ALA A 599 7.807 -22.282 5.836 1.00 54.33 C ATOM 291 O ALA A 599 7.073 -23.247 5.671 1.00 11.21 O ATOM 292 CB ALA A 599 6.760 -20.841 7.576 1.00 75.01 C ATOM 0 H ALA A 599 9.079 -19.912 6.923 1.00 72.35 H new ATOM 0 HA ALA A 599 8.099 -22.494 7.920 1.00 64.12 H new ATOM 0 HB1 ALA A 599 5.866 -21.461 7.502 1.00 75.01 H new ATOM 0 HB2 ALA A 599 6.860 -20.468 8.595 1.00 75.01 H new ATOM 0 HB3 ALA A 599 6.676 -19.999 6.889 1.00 75.01 H new ATOM 298 N GLY A 600 8.497 -21.738 4.853 1.00 54.22 N ATOM 299 CA GLY A 600 8.253 -22.153 3.489 1.00 20.30 C ATOM 300 C GLY A 600 6.923 -21.582 3.048 1.00 43.25 C ATOM 301 O GLY A 600 6.059 -22.286 2.550 1.00 72.02 O ATOM 0 H GLY A 600 9.215 -21.023 4.970 1.00 54.22 H new ATOM 0 HA2 GLY A 600 9.052 -21.801 2.837 1.00 20.30 H new ATOM 0 HA3 GLY A 600 8.241 -23.241 3.420 1.00 20.30 H new ATOM 305 N PHE A 601 6.777 -20.298 3.254 1.00 23.22 N ATOM 306 CA PHE A 601 5.523 -19.598 3.046 1.00 15.24 C ATOM 307 C PHE A 601 5.746 -18.435 2.107 1.00 20.23 C ATOM 308 O PHE A 601 6.776 -17.802 2.178 1.00 4.30 O ATOM 309 CB PHE A 601 5.073 -19.073 4.425 1.00 42.04 C ATOM 310 CG PHE A 601 3.786 -18.290 4.474 1.00 73.03 C ATOM 311 CD1 PHE A 601 2.573 -18.946 4.552 1.00 20.35 C ATOM 312 CD2 PHE A 601 3.793 -16.894 4.474 1.00 22.34 C ATOM 313 CE1 PHE A 601 1.392 -18.246 4.626 1.00 23.42 C ATOM 314 CE2 PHE A 601 2.611 -16.192 4.554 1.00 53.04 C ATOM 315 CZ PHE A 601 1.406 -16.876 4.630 1.00 73.43 C ATOM 0 H PHE A 601 7.534 -19.695 3.576 1.00 23.22 H new ATOM 0 HA PHE A 601 4.770 -20.255 2.611 1.00 15.24 H new ATOM 0 HB2 PHE A 601 4.976 -19.926 5.097 1.00 42.04 H new ATOM 0 HB3 PHE A 601 5.868 -18.443 4.823 1.00 42.04 H new ATOM 0 HD1 PHE A 601 2.552 -20.026 4.555 1.00 20.35 H new ATOM 0 HD2 PHE A 601 4.731 -16.362 4.411 1.00 22.34 H new ATOM 0 HE1 PHE A 601 0.453 -18.776 4.681 1.00 23.42 H new ATOM 0 HE2 PHE A 601 2.622 -15.112 4.558 1.00 53.04 H new ATOM 0 HZ PHE A 601 0.478 -16.328 4.692 1.00 73.43 H new ATOM 325 N SER A 602 4.799 -18.164 1.233 1.00 64.50 N ATOM 326 CA SER A 602 4.878 -17.010 0.358 1.00 22.43 C ATOM 327 C SER A 602 3.522 -16.340 0.258 1.00 4.53 C ATOM 328 O SER A 602 2.541 -16.968 -0.136 1.00 10.52 O ATOM 329 CB SER A 602 5.363 -17.408 -1.043 1.00 11.13 C ATOM 330 OG SER A 602 6.672 -17.957 -1.003 1.00 23.44 O ATOM 0 H SER A 602 3.960 -18.731 1.108 1.00 64.50 H new ATOM 0 HA SER A 602 5.598 -16.312 0.785 1.00 22.43 H new ATOM 0 HB2 SER A 602 4.675 -18.135 -1.475 1.00 11.13 H new ATOM 0 HB3 SER A 602 5.353 -16.534 -1.695 1.00 11.13 H new ATOM 0 HG SER A 602 6.952 -18.202 -1.910 1.00 23.44 H new ATOM 336 N PHE A 603 3.469 -15.079 0.595 1.00 32.12 N ATOM 337 CA PHE A 603 2.258 -14.343 0.542 1.00 55.22 C ATOM 338 C PHE A 603 2.321 -13.456 -0.689 1.00 44.10 C ATOM 339 O PHE A 603 3.371 -12.846 -0.966 1.00 24.20 O ATOM 340 CB PHE A 603 2.132 -13.487 1.792 1.00 32.23 C ATOM 341 CG PHE A 603 0.720 -13.261 2.199 1.00 5.11 C ATOM 342 CD1 PHE A 603 -0.048 -12.267 1.640 1.00 52.32 C ATOM 343 CD2 PHE A 603 0.157 -14.074 3.151 1.00 52.53 C ATOM 344 CE1 PHE A 603 -1.355 -12.101 2.037 1.00 23.11 C ATOM 345 CE2 PHE A 603 -1.138 -13.916 3.549 1.00 61.10 C ATOM 346 CZ PHE A 603 -1.896 -12.930 2.994 1.00 51.41 C ATOM 0 H PHE A 603 4.275 -14.541 0.914 1.00 32.12 H new ATOM 0 HA PHE A 603 1.397 -15.009 0.490 1.00 55.22 H new ATOM 0 HB2 PHE A 603 2.668 -13.967 2.611 1.00 32.23 H new ATOM 0 HB3 PHE A 603 2.613 -12.525 1.617 1.00 32.23 H new ATOM 0 HD1 PHE A 603 0.375 -11.616 0.889 1.00 52.32 H new ATOM 0 HD2 PHE A 603 0.753 -14.857 3.595 1.00 52.53 H new ATOM 0 HE1 PHE A 603 -1.957 -11.320 1.597 1.00 23.11 H new ATOM 0 HE2 PHE A 603 -1.560 -14.568 4.299 1.00 61.10 H new ATOM 0 HZ PHE A 603 -2.922 -12.798 3.305 1.00 51.41 H new ATOM 356 N ASP A 604 1.240 -13.382 -1.414 1.00 34.02 N ATOM 357 CA ASP A 604 1.203 -12.634 -2.665 1.00 31.42 C ATOM 358 C ASP A 604 0.104 -11.592 -2.639 1.00 3.50 C ATOM 359 O ASP A 604 -1.044 -11.903 -2.333 1.00 3.23 O ATOM 360 CB ASP A 604 0.995 -13.596 -3.849 1.00 32.13 C ATOM 361 CG ASP A 604 0.865 -12.895 -5.195 1.00 23.24 C ATOM 362 OD1 ASP A 604 -0.242 -12.449 -5.540 1.00 11.41 O ATOM 363 OD2 ASP A 604 1.862 -12.803 -5.940 1.00 10.01 O ATOM 0 H ASP A 604 0.358 -13.831 -1.167 1.00 34.02 H new ATOM 0 HA ASP A 604 2.157 -12.120 -2.786 1.00 31.42 H new ATOM 0 HB2 ASP A 604 1.833 -14.292 -3.892 1.00 32.13 H new ATOM 0 HB3 ASP A 604 0.098 -14.189 -3.670 1.00 32.13 H new ATOM 368 N LEU A 605 0.456 -10.361 -2.945 1.00 31.00 N ATOM 369 CA LEU A 605 -0.512 -9.273 -2.991 1.00 30.54 C ATOM 370 C LEU A 605 -0.480 -8.620 -4.355 1.00 33.23 C ATOM 371 O LEU A 605 -0.907 -7.485 -4.518 1.00 71.34 O ATOM 372 CB LEU A 605 -0.207 -8.223 -1.913 1.00 33.43 C ATOM 373 CG LEU A 605 -0.198 -8.714 -0.466 1.00 23.21 C ATOM 374 CD1 LEU A 605 0.136 -7.583 0.463 1.00 45.54 C ATOM 375 CD2 LEU A 605 -1.529 -9.322 -0.088 1.00 73.40 C ATOM 0 H LEU A 605 1.412 -10.082 -3.168 1.00 31.00 H new ATOM 0 HA LEU A 605 -1.503 -9.686 -2.803 1.00 30.54 H new ATOM 0 HB2 LEU A 605 0.767 -7.784 -2.130 1.00 33.43 H new ATOM 0 HB3 LEU A 605 -0.943 -7.424 -1.997 1.00 33.43 H new ATOM 0 HG LEU A 605 0.565 -9.487 -0.376 1.00 23.21 H new ATOM 0 HD11 LEU A 605 0.139 -7.945 1.491 1.00 45.54 H new ATOM 0 HD12 LEU A 605 1.121 -7.187 0.215 1.00 45.54 H new ATOM 0 HD13 LEU A 605 -0.609 -6.794 0.359 1.00 45.54 H new ATOM 0 HD21 LEU A 605 -1.493 -9.662 0.947 1.00 73.40 H new ATOM 0 HD22 LEU A 605 -2.315 -8.574 -0.197 1.00 73.40 H new ATOM 0 HD23 LEU A 605 -1.741 -10.168 -0.741 1.00 73.40 H new ATOM 383 N THR A 606 -0.022 -9.364 -5.342 1.00 24.05 N ATOM 384 CA THR A 606 0.104 -8.877 -6.687 1.00 13.34 C ATOM 385 C THR A 606 -1.248 -8.306 -7.265 1.00 5.21 C ATOM 386 O THR A 606 -1.261 -7.187 -7.795 1.00 21.14 O ATOM 387 CB THR A 606 0.698 -9.972 -7.593 1.00 54.42 C ATOM 388 OG1 THR A 606 1.949 -10.421 -7.025 1.00 62.41 O ATOM 389 CG2 THR A 606 0.967 -9.425 -8.960 1.00 62.20 C ATOM 0 H THR A 606 0.274 -10.333 -5.224 1.00 24.05 H new ATOM 0 HA THR A 606 0.791 -8.031 -6.665 1.00 13.34 H new ATOM 0 HB THR A 606 -0.012 -10.796 -7.666 1.00 54.42 H new ATOM 0 HG1 THR A 606 1.899 -11.383 -6.844 1.00 62.41 H new ATOM 0 HG21 THR A 606 1.387 -10.210 -9.590 1.00 62.20 H new ATOM 0 HG22 THR A 606 0.035 -9.067 -9.398 1.00 62.20 H new ATOM 0 HG23 THR A 606 1.675 -8.599 -8.889 1.00 62.20 H new ATOM 395 N PRO A 607 -2.407 -9.037 -7.151 1.00 60.22 N ATOM 396 CA PRO A 607 -3.707 -8.524 -7.636 1.00 55.01 C ATOM 397 C PRO A 607 -4.239 -7.369 -6.771 1.00 2.34 C ATOM 398 O PRO A 607 -5.180 -6.676 -7.148 1.00 24.41 O ATOM 399 CB PRO A 607 -4.637 -9.739 -7.504 1.00 65.31 C ATOM 400 CG PRO A 607 -4.030 -10.554 -6.423 1.00 42.14 C ATOM 401 CD PRO A 607 -2.552 -10.406 -6.591 1.00 41.42 C ATOM 0 HA PRO A 607 -3.632 -8.123 -8.647 1.00 55.01 H new ATOM 0 HB2 PRO A 607 -5.653 -9.436 -7.250 1.00 65.31 H new ATOM 0 HB3 PRO A 607 -4.695 -10.298 -8.438 1.00 65.31 H new ATOM 0 HG2 PRO A 607 -4.350 -10.204 -5.441 1.00 42.14 H new ATOM 0 HG3 PRO A 607 -4.331 -11.599 -6.503 1.00 42.14 H new ATOM 0 HD2 PRO A 607 -2.027 -10.510 -5.642 1.00 41.42 H new ATOM 0 HD3 PRO A 607 -2.146 -11.161 -7.264 1.00 41.42 H new ATOM 409 N LEU A 608 -3.624 -7.166 -5.624 1.00 30.33 N ATOM 410 CA LEU A 608 -4.078 -6.172 -4.677 1.00 22.24 C ATOM 411 C LEU A 608 -3.473 -4.797 -5.074 1.00 14.30 C ATOM 412 O LEU A 608 -3.972 -3.752 -4.703 1.00 21.01 O ATOM 413 CB LEU A 608 -3.645 -6.627 -3.258 1.00 5.24 C ATOM 414 CG LEU A 608 -4.533 -6.242 -2.069 1.00 60.21 C ATOM 415 CD1 LEU A 608 -4.064 -6.954 -0.828 1.00 50.55 C ATOM 416 CD2 LEU A 608 -4.476 -4.792 -1.810 1.00 21.23 C ATOM 0 H LEU A 608 -2.798 -7.684 -5.324 1.00 30.33 H new ATOM 0 HA LEU A 608 -5.163 -6.066 -4.681 1.00 22.24 H new ATOM 0 HB2 LEU A 608 -3.557 -7.713 -3.269 1.00 5.24 H new ATOM 0 HB3 LEU A 608 -2.648 -6.229 -3.071 1.00 5.24 H new ATOM 0 HG LEU A 608 -5.556 -6.528 -2.316 1.00 60.21 H new ATOM 0 HD11 LEU A 608 -4.699 -6.676 0.013 1.00 50.55 H new ATOM 0 HD12 LEU A 608 -4.119 -8.031 -0.984 1.00 50.55 H new ATOM 0 HD13 LEU A 608 -3.034 -6.671 -0.614 1.00 50.55 H new ATOM 0 HD21 LEU A 608 -5.115 -4.549 -0.962 1.00 21.23 H new ATOM 0 HD22 LEU A 608 -3.449 -4.503 -1.586 1.00 21.23 H new ATOM 0 HD23 LEU A 608 -4.821 -4.251 -2.691 1.00 21.23 H new ATOM 424 N THR A 609 -2.408 -4.840 -5.846 1.00 40.41 N ATOM 425 CA THR A 609 -1.745 -3.653 -6.367 1.00 34.02 C ATOM 426 C THR A 609 -2.598 -3.010 -7.485 1.00 13.53 C ATOM 427 O THR A 609 -3.152 -3.724 -8.333 1.00 64.45 O ATOM 428 CB THR A 609 -0.362 -4.051 -6.938 1.00 44.42 C ATOM 429 OG1 THR A 609 0.400 -4.704 -5.915 1.00 74.42 O ATOM 430 CG2 THR A 609 0.399 -2.834 -7.436 1.00 35.54 C ATOM 0 H THR A 609 -1.968 -5.713 -6.137 1.00 40.41 H new ATOM 0 HA THR A 609 -1.620 -2.931 -5.560 1.00 34.02 H new ATOM 0 HB THR A 609 -0.518 -4.724 -7.781 1.00 44.42 H new ATOM 0 HG1 THR A 609 1.269 -4.975 -6.277 1.00 74.42 H new ATOM 0 HG21 THR A 609 1.366 -3.146 -7.831 1.00 35.54 H new ATOM 0 HG22 THR A 609 -0.174 -2.344 -8.223 1.00 35.54 H new ATOM 0 HG23 THR A 609 0.551 -2.138 -6.611 1.00 35.54 H new ATOM 436 N LYS A 610 -2.722 -1.683 -7.477 1.00 22.23 N ATOM 437 CA LYS A 610 -3.497 -0.982 -8.497 1.00 15.11 C ATOM 438 C LYS A 610 -2.640 0.010 -9.234 1.00 2.44 C ATOM 439 O LYS A 610 -1.823 0.672 -8.638 1.00 61.24 O ATOM 440 CB LYS A 610 -4.665 -0.213 -7.893 1.00 23.00 C ATOM 441 CG LYS A 610 -5.696 -1.056 -7.180 1.00 33.34 C ATOM 442 CD LYS A 610 -6.946 -0.235 -6.885 1.00 71.23 C ATOM 443 CE LYS A 610 -8.051 -1.076 -6.252 1.00 12.33 C ATOM 444 NZ LYS A 610 -8.502 -2.185 -7.131 1.00 44.54 N ATOM 0 H LYS A 610 -2.297 -1.075 -6.777 1.00 22.23 H new ATOM 0 HA LYS A 610 -3.871 -1.749 -9.175 1.00 15.11 H new ATOM 0 HB2 LYS A 610 -4.270 0.520 -7.190 1.00 23.00 H new ATOM 0 HB3 LYS A 610 -5.162 0.343 -8.688 1.00 23.00 H new ATOM 0 HG2 LYS A 610 -5.957 -1.918 -7.794 1.00 33.34 H new ATOM 0 HG3 LYS A 610 -5.279 -1.441 -6.250 1.00 33.34 H new ATOM 0 HD2 LYS A 610 -6.689 0.587 -6.217 1.00 71.23 H new ATOM 0 HD3 LYS A 610 -7.314 0.209 -7.810 1.00 71.23 H new ATOM 0 HE2 LYS A 610 -7.693 -1.488 -5.309 1.00 12.33 H new ATOM 0 HE3 LYS A 610 -8.901 -0.435 -6.018 1.00 12.33 H new ATOM 0 HZ1 LYS A 610 -9.388 -2.584 -6.760 1.00 44.54 H new ATOM 0 HZ2 LYS A 610 -8.662 -1.823 -8.093 1.00 44.54 H new ATOM 0 HZ3 LYS A 610 -7.773 -2.926 -7.157 1.00 44.54 H new ATOM 458 N LYS A 611 -2.838 0.133 -10.526 1.00 34.33 N ATOM 459 CA LYS A 611 -2.104 1.127 -11.302 1.00 14.32 C ATOM 460 C LYS A 611 -2.666 2.537 -11.067 1.00 4.24 C ATOM 461 O LYS A 611 -2.016 3.539 -11.369 1.00 35.11 O ATOM 462 CB LYS A 611 -2.093 0.787 -12.794 1.00 53.32 C ATOM 463 CG LYS A 611 -3.464 0.684 -13.433 1.00 71.40 C ATOM 464 CD LYS A 611 -3.344 0.377 -14.908 1.00 74.33 C ATOM 465 CE LYS A 611 -4.701 0.229 -15.562 1.00 21.53 C ATOM 466 NZ LYS A 611 -4.578 -0.032 -17.000 1.00 60.52 N ATOM 0 H LYS A 611 -3.493 -0.433 -11.065 1.00 34.33 H new ATOM 0 HA LYS A 611 -1.071 1.110 -10.954 1.00 14.32 H new ATOM 0 HB2 LYS A 611 -1.518 1.548 -13.321 1.00 53.32 H new ATOM 0 HB3 LYS A 611 -1.571 -0.160 -12.933 1.00 53.32 H new ATOM 0 HG2 LYS A 611 -4.043 -0.097 -12.940 1.00 71.40 H new ATOM 0 HG3 LYS A 611 -4.007 1.619 -13.294 1.00 71.40 H new ATOM 0 HD2 LYS A 611 -2.787 1.174 -15.401 1.00 74.33 H new ATOM 0 HD3 LYS A 611 -2.773 -0.542 -15.043 1.00 74.33 H new ATOM 0 HE2 LYS A 611 -5.247 -0.587 -15.088 1.00 21.53 H new ATOM 0 HE3 LYS A 611 -5.283 1.137 -15.404 1.00 21.53 H new ATOM 0 HZ1 LYS A 611 -5.526 -0.128 -17.418 1.00 60.52 H new ATOM 0 HZ2 LYS A 611 -4.078 0.758 -17.455 1.00 60.52 H new ATOM 0 HZ3 LYS A 611 -4.043 -0.912 -17.149 1.00 60.52 H new ATOM 480 N ASP A 612 -3.883 2.601 -10.540 1.00 41.24 N ATOM 481 CA ASP A 612 -4.544 3.881 -10.242 1.00 3.21 C ATOM 482 C ASP A 612 -4.297 4.267 -8.776 1.00 53.20 C ATOM 483 O ASP A 612 -4.542 5.408 -8.355 1.00 2.45 O ATOM 484 CB ASP A 612 -6.051 3.768 -10.552 1.00 21.13 C ATOM 485 CG ASP A 612 -6.842 5.040 -10.309 1.00 3.34 C ATOM 486 OD1 ASP A 612 -6.799 5.970 -11.165 1.00 73.04 O ATOM 487 OD2 ASP A 612 -7.540 5.127 -9.282 1.00 70.33 O ATOM 0 H ASP A 612 -4.441 1.780 -10.306 1.00 41.24 H new ATOM 0 HA ASP A 612 -4.127 4.669 -10.869 1.00 3.21 H new ATOM 0 HB2 ASP A 612 -6.173 3.473 -11.594 1.00 21.13 H new ATOM 0 HB3 ASP A 612 -6.475 2.970 -9.943 1.00 21.13 H new ATOM 492 N ALA A 613 -3.781 3.292 -8.020 1.00 75.34 N ATOM 493 CA ALA A 613 -3.415 3.434 -6.604 1.00 32.22 C ATOM 494 C ALA A 613 -4.620 3.606 -5.660 1.00 34.14 C ATOM 495 O ALA A 613 -5.776 3.669 -6.079 1.00 74.33 O ATOM 496 CB ALA A 613 -2.383 4.546 -6.399 1.00 72.25 C ATOM 0 H ALA A 613 -3.601 2.357 -8.385 1.00 75.34 H new ATOM 0 HA ALA A 613 -2.957 2.484 -6.326 1.00 32.22 H new ATOM 0 HB1 ALA A 613 -2.136 4.622 -5.340 1.00 72.25 H new ATOM 0 HB2 ALA A 613 -1.481 4.315 -6.966 1.00 72.25 H new ATOM 0 HB3 ALA A 613 -2.796 5.494 -6.745 1.00 72.25 H new ATOM 502 N TYR A 614 -4.323 3.624 -4.393 1.00 22.11 N ATOM 503 CA TYR A 614 -5.297 3.802 -3.315 1.00 65.52 C ATOM 504 C TYR A 614 -5.249 5.208 -2.758 1.00 64.43 C ATOM 505 O TYR A 614 -4.199 5.854 -2.780 1.00 31.12 O ATOM 506 CB TYR A 614 -5.037 2.782 -2.206 1.00 0.31 C ATOM 507 CG TYR A 614 -5.288 1.379 -2.657 1.00 74.45 C ATOM 508 CD1 TYR A 614 -4.369 0.704 -3.450 1.00 3.10 C ATOM 509 CD2 TYR A 614 -6.458 0.738 -2.324 1.00 21.35 C ATOM 510 CE1 TYR A 614 -4.623 -0.561 -3.895 1.00 4.05 C ATOM 511 CE2 TYR A 614 -6.711 -0.531 -2.755 1.00 63.44 C ATOM 512 CZ TYR A 614 -5.802 -1.175 -3.539 1.00 61.51 C ATOM 513 OH TYR A 614 -6.083 -2.423 -3.993 1.00 1.34 O ATOM 0 H TYR A 614 -3.368 3.513 -4.053 1.00 22.11 H new ATOM 0 HA TYR A 614 -6.294 3.640 -3.725 1.00 65.52 H new ATOM 0 HB2 TYR A 614 -4.005 2.873 -1.866 1.00 0.31 H new ATOM 0 HB3 TYR A 614 -5.675 3.007 -1.352 1.00 0.31 H new ATOM 0 HD1 TYR A 614 -3.441 1.187 -3.718 1.00 3.10 H new ATOM 0 HD2 TYR A 614 -7.188 1.247 -1.712 1.00 21.35 H new ATOM 0 HE1 TYR A 614 -3.907 -1.074 -4.519 1.00 4.05 H new ATOM 0 HE2 TYR A 614 -7.630 -1.024 -2.475 1.00 63.44 H new ATOM 0 HH TYR A 614 -5.287 -2.802 -4.421 1.00 1.34 H new ATOM 523 N LYS A 615 -6.379 5.681 -2.271 1.00 52.12 N ATOM 524 CA LYS A 615 -6.478 7.017 -1.737 1.00 42.44 C ATOM 525 C LYS A 615 -7.001 7.015 -0.315 1.00 22.33 C ATOM 526 O LYS A 615 -7.852 6.218 0.031 1.00 13.22 O ATOM 527 CB LYS A 615 -7.329 7.912 -2.671 1.00 32.11 C ATOM 528 CG LYS A 615 -8.769 7.443 -2.952 1.00 41.50 C ATOM 529 CD LYS A 615 -9.780 7.731 -1.827 1.00 31.10 C ATOM 530 CE LYS A 615 -9.946 9.228 -1.564 1.00 32.34 C ATOM 531 NZ LYS A 615 -11.030 9.499 -0.582 1.00 34.30 N ATOM 0 H LYS A 615 -7.249 5.149 -2.236 1.00 52.12 H new ATOM 0 HA LYS A 615 -5.475 7.442 -1.695 1.00 42.44 H new ATOM 0 HB2 LYS A 615 -7.375 8.911 -2.237 1.00 32.11 H new ATOM 0 HB3 LYS A 615 -6.808 8.002 -3.624 1.00 32.11 H new ATOM 0 HG2 LYS A 615 -9.119 7.923 -3.866 1.00 41.50 H new ATOM 0 HG3 LYS A 615 -8.755 6.370 -3.141 1.00 41.50 H new ATOM 0 HD2 LYS A 615 -10.746 7.302 -2.092 1.00 31.10 H new ATOM 0 HD3 LYS A 615 -9.452 7.238 -0.912 1.00 31.10 H new ATOM 0 HE2 LYS A 615 -9.007 9.638 -1.192 1.00 32.34 H new ATOM 0 HE3 LYS A 615 -10.168 9.739 -2.501 1.00 32.34 H new ATOM 0 HZ1 LYS A 615 -11.204 10.523 -0.531 1.00 34.30 H new ATOM 0 HZ2 LYS A 615 -11.900 9.014 -0.882 1.00 34.30 H new ATOM 0 HZ3 LYS A 615 -10.745 9.149 0.355 1.00 34.30 H new ATOM 545 N VAL A 616 -6.445 7.866 0.494 1.00 45.31 N ATOM 546 CA VAL A 616 -6.877 8.071 1.862 1.00 63.42 C ATOM 547 C VAL A 616 -6.955 9.567 2.032 1.00 22.41 C ATOM 548 O VAL A 616 -6.110 10.266 1.506 1.00 73.31 O ATOM 549 CB VAL A 616 -5.823 7.548 2.884 1.00 34.42 C ATOM 550 CG1 VAL A 616 -6.361 7.578 4.307 1.00 24.42 C ATOM 551 CG2 VAL A 616 -5.286 6.179 2.512 1.00 72.33 C ATOM 0 H VAL A 616 -5.658 8.456 0.223 1.00 45.31 H new ATOM 0 HA VAL A 616 -7.816 7.547 2.041 1.00 63.42 H new ATOM 0 HB VAL A 616 -4.977 8.233 2.841 1.00 34.42 H new ATOM 0 HG11 VAL A 616 -5.599 7.206 4.992 1.00 24.42 H new ATOM 0 HG12 VAL A 616 -6.622 8.602 4.576 1.00 24.42 H new ATOM 0 HG13 VAL A 616 -7.248 6.948 4.374 1.00 24.42 H new ATOM 0 HG21 VAL A 616 -4.556 5.860 3.256 1.00 72.33 H new ATOM 0 HG22 VAL A 616 -6.107 5.463 2.479 1.00 72.33 H new ATOM 0 HG23 VAL A 616 -4.809 6.229 1.533 1.00 72.33 H new ATOM 557 N GLU A 617 -7.932 10.077 2.702 1.00 34.13 N ATOM 558 CA GLU A 617 -7.972 11.507 2.886 1.00 31.53 C ATOM 559 C GLU A 617 -8.230 11.884 4.313 1.00 30.34 C ATOM 560 O GLU A 617 -8.831 11.123 5.075 1.00 73.33 O ATOM 561 CB GLU A 617 -8.954 12.203 1.943 1.00 53.14 C ATOM 562 CG GLU A 617 -10.384 11.767 2.097 1.00 54.44 C ATOM 563 CD GLU A 617 -11.305 12.527 1.199 1.00 11.43 C ATOM 564 OE1 GLU A 617 -11.466 12.117 0.031 1.00 11.45 O ATOM 565 OE2 GLU A 617 -11.886 13.550 1.650 1.00 31.04 O ATOM 0 H GLU A 617 -8.698 9.553 3.125 1.00 34.13 H new ATOM 0 HA GLU A 617 -6.977 11.867 2.623 1.00 31.53 H new ATOM 0 HB2 GLU A 617 -8.896 13.279 2.108 1.00 53.14 H new ATOM 0 HB3 GLU A 617 -8.641 12.021 0.915 1.00 53.14 H new ATOM 0 HG2 GLU A 617 -10.463 10.702 1.879 1.00 54.44 H new ATOM 0 HG3 GLU A 617 -10.694 11.904 3.133 1.00 54.44 H new ATOM 572 N THR A 618 -7.746 13.032 4.666 1.00 3.11 N ATOM 573 CA THR A 618 -7.948 13.612 5.957 1.00 35.54 C ATOM 574 C THR A 618 -8.239 15.075 5.742 1.00 22.33 C ATOM 575 O THR A 618 -8.299 15.524 4.591 1.00 24.32 O ATOM 576 CB THR A 618 -6.682 13.472 6.848 1.00 62.35 C ATOM 577 OG1 THR A 618 -5.539 14.048 6.186 1.00 75.13 O ATOM 578 CG2 THR A 618 -6.397 12.024 7.201 1.00 1.40 C ATOM 0 H THR A 618 -7.181 13.611 4.044 1.00 3.11 H new ATOM 0 HA THR A 618 -8.767 13.102 6.464 1.00 35.54 H new ATOM 0 HB THR A 618 -6.875 14.011 7.776 1.00 62.35 H new ATOM 0 HG1 THR A 618 -5.474 13.692 5.275 1.00 75.13 H new ATOM 0 HG21 THR A 618 -5.504 11.970 7.824 1.00 1.40 H new ATOM 0 HG22 THR A 618 -7.245 11.608 7.745 1.00 1.40 H new ATOM 0 HG23 THR A 618 -6.236 11.452 6.287 1.00 1.40 H new ATOM 584 N ASP A 619 -8.417 15.819 6.811 1.00 13.40 N ATOM 585 CA ASP A 619 -8.618 17.267 6.715 1.00 70.34 C ATOM 586 C ASP A 619 -7.328 17.952 6.363 1.00 25.12 C ATOM 587 O ASP A 619 -7.320 19.086 5.888 1.00 4.51 O ATOM 588 CB ASP A 619 -9.166 17.861 8.016 1.00 60.34 C ATOM 589 CG ASP A 619 -10.566 17.426 8.326 1.00 43.04 C ATOM 590 OD1 ASP A 619 -11.515 18.073 7.851 1.00 63.35 O ATOM 591 OD2 ASP A 619 -10.747 16.441 9.064 1.00 74.32 O ATOM 0 H ASP A 619 -8.428 15.454 7.763 1.00 13.40 H new ATOM 0 HA ASP A 619 -9.355 17.434 5.929 1.00 70.34 H new ATOM 0 HB2 ASP A 619 -8.513 17.574 8.841 1.00 60.34 H new ATOM 0 HB3 ASP A 619 -9.138 18.949 7.950 1.00 60.34 H new ATOM 596 N LYS A 620 -6.235 17.270 6.608 1.00 12.43 N ATOM 597 CA LYS A 620 -4.933 17.825 6.367 1.00 70.22 C ATOM 598 C LYS A 620 -4.428 17.466 4.975 1.00 0.12 C ATOM 599 O LYS A 620 -4.251 18.336 4.115 1.00 15.00 O ATOM 600 CB LYS A 620 -3.898 17.414 7.461 1.00 14.23 C ATOM 601 CG LYS A 620 -4.221 17.901 8.892 1.00 54.11 C ATOM 602 CD LYS A 620 -5.370 17.133 9.557 1.00 2.12 C ATOM 603 CE LYS A 620 -4.947 15.726 10.003 1.00 43.23 C ATOM 604 NZ LYS A 620 -3.955 15.775 11.110 1.00 50.52 N ATOM 0 H LYS A 620 -6.227 16.320 6.978 1.00 12.43 H new ATOM 0 HA LYS A 620 -5.040 18.908 6.422 1.00 70.22 H new ATOM 0 HB2 LYS A 620 -3.820 16.327 7.474 1.00 14.23 H new ATOM 0 HB3 LYS A 620 -2.920 17.800 7.176 1.00 14.23 H new ATOM 0 HG2 LYS A 620 -3.327 17.807 9.509 1.00 54.11 H new ATOM 0 HG3 LYS A 620 -4.475 18.960 8.858 1.00 54.11 H new ATOM 0 HD2 LYS A 620 -5.727 17.694 10.421 1.00 2.12 H new ATOM 0 HD3 LYS A 620 -6.204 17.056 8.860 1.00 2.12 H new ATOM 0 HE2 LYS A 620 -5.825 15.167 10.326 1.00 43.23 H new ATOM 0 HE3 LYS A 620 -4.521 15.188 9.156 1.00 43.23 H new ATOM 0 HZ1 LYS A 620 -3.883 14.837 11.553 1.00 50.52 H new ATOM 0 HZ2 LYS A 620 -3.026 16.052 10.732 1.00 50.52 H new ATOM 0 HZ3 LYS A 620 -4.261 16.471 11.820 1.00 50.52 H new ATOM 618 N TYR A 621 -4.234 16.189 4.732 1.00 44.03 N ATOM 619 CA TYR A 621 -3.651 15.765 3.476 1.00 4.44 C ATOM 620 C TYR A 621 -4.483 14.670 2.859 1.00 51.24 C ATOM 621 O TYR A 621 -5.334 14.061 3.525 1.00 72.24 O ATOM 622 CB TYR A 621 -2.249 15.167 3.705 1.00 23.14 C ATOM 623 CG TYR A 621 -1.314 15.981 4.561 1.00 32.35 C ATOM 624 CD1 TYR A 621 -0.589 17.041 4.042 1.00 75.53 C ATOM 625 CD2 TYR A 621 -1.156 15.668 5.903 1.00 21.22 C ATOM 626 CE1 TYR A 621 0.268 17.771 4.840 1.00 33.23 C ATOM 627 CE2 TYR A 621 -0.308 16.382 6.709 1.00 75.15 C ATOM 628 CZ TYR A 621 0.405 17.437 6.173 1.00 21.35 C ATOM 629 OH TYR A 621 1.267 18.150 6.969 1.00 53.54 O ATOM 0 H TYR A 621 -4.467 15.434 5.377 1.00 44.03 H new ATOM 0 HA TYR A 621 -3.603 16.641 2.829 1.00 4.44 H new ATOM 0 HB2 TYR A 621 -2.365 14.184 4.162 1.00 23.14 H new ATOM 0 HB3 TYR A 621 -1.779 15.013 2.734 1.00 23.14 H new ATOM 0 HD1 TYR A 621 -0.696 17.300 2.999 1.00 75.53 H new ATOM 0 HD2 TYR A 621 -1.714 14.843 6.322 1.00 21.22 H new ATOM 0 HE1 TYR A 621 0.827 18.597 4.425 1.00 33.23 H new ATOM 0 HE2 TYR A 621 -0.198 16.123 7.752 1.00 75.15 H new ATOM 0 HH TYR A 621 1.246 17.789 7.880 1.00 53.54 H new ATOM 639 N GLU A 622 -4.251 14.429 1.607 1.00 21.41 N ATOM 640 CA GLU A 622 -4.769 13.276 0.954 1.00 73.12 C ATOM 641 C GLU A 622 -3.582 12.380 0.638 1.00 54.40 C ATOM 642 O GLU A 622 -2.569 12.839 0.105 1.00 32.12 O ATOM 643 CB GLU A 622 -5.582 13.614 -0.305 1.00 73.44 C ATOM 644 CG GLU A 622 -4.825 14.366 -1.378 1.00 53.22 C ATOM 645 CD GLU A 622 -5.651 14.569 -2.613 1.00 25.12 C ATOM 646 OE1 GLU A 622 -5.628 13.691 -3.511 1.00 11.25 O ATOM 647 OE2 GLU A 622 -6.334 15.583 -2.719 1.00 70.30 O ATOM 0 H GLU A 622 -3.691 15.035 1.007 1.00 21.41 H new ATOM 0 HA GLU A 622 -5.478 12.768 1.608 1.00 73.12 H new ATOM 0 HB2 GLU A 622 -5.961 12.686 -0.733 1.00 73.44 H new ATOM 0 HB3 GLU A 622 -6.448 14.207 -0.011 1.00 73.44 H new ATOM 0 HG2 GLU A 622 -4.511 15.335 -0.989 1.00 53.22 H new ATOM 0 HG3 GLU A 622 -3.919 13.817 -1.634 1.00 53.22 H new ATOM 654 N PHE A 623 -3.694 11.147 0.982 1.00 13.14 N ATOM 655 CA PHE A 623 -2.616 10.214 0.856 1.00 11.32 C ATOM 656 C PHE A 623 -2.927 9.244 -0.245 1.00 63.50 C ATOM 657 O PHE A 623 -4.070 8.835 -0.420 1.00 24.24 O ATOM 658 CB PHE A 623 -2.427 9.443 2.176 1.00 11.21 C ATOM 659 CG PHE A 623 -2.192 10.315 3.384 1.00 61.11 C ATOM 660 CD1 PHE A 623 -3.259 10.901 4.058 1.00 23.54 C ATOM 661 CD2 PHE A 623 -0.915 10.547 3.843 1.00 73.33 C ATOM 662 CE1 PHE A 623 -3.043 11.701 5.158 1.00 11.34 C ATOM 663 CE2 PHE A 623 -0.691 11.347 4.947 1.00 42.04 C ATOM 664 CZ PHE A 623 -1.757 11.925 5.604 1.00 43.42 C ATOM 0 H PHE A 623 -4.549 10.745 1.366 1.00 13.14 H new ATOM 0 HA PHE A 623 -1.699 10.756 0.625 1.00 11.32 H new ATOM 0 HB2 PHE A 623 -3.311 8.830 2.353 1.00 11.21 H new ATOM 0 HB3 PHE A 623 -1.583 8.762 2.066 1.00 11.21 H new ATOM 0 HD1 PHE A 623 -4.268 10.726 3.715 1.00 23.54 H new ATOM 0 HD2 PHE A 623 -0.076 10.097 3.333 1.00 73.33 H new ATOM 0 HE1 PHE A 623 -3.879 12.152 5.671 1.00 11.34 H new ATOM 0 HE2 PHE A 623 0.317 11.519 5.295 1.00 42.04 H new ATOM 0 HZ PHE A 623 -1.585 12.552 6.466 1.00 43.42 H new ATOM 674 N HIS A 624 -1.943 8.912 -1.006 1.00 43.33 N ATOM 675 CA HIS A 624 -2.091 7.949 -2.056 1.00 51.20 C ATOM 676 C HIS A 624 -1.050 6.883 -1.879 1.00 31.04 C ATOM 677 O HIS A 624 0.150 7.179 -1.810 1.00 24.23 O ATOM 678 CB HIS A 624 -2.032 8.600 -3.449 1.00 2.11 C ATOM 679 CG HIS A 624 -3.149 9.587 -3.687 1.00 73.35 C ATOM 680 ND1 HIS A 624 -4.335 9.255 -4.298 1.00 23.23 N ATOM 681 CD2 HIS A 624 -3.255 10.904 -3.367 1.00 63.34 C ATOM 682 CE1 HIS A 624 -5.119 10.313 -4.337 1.00 33.02 C ATOM 683 NE2 HIS A 624 -4.486 11.320 -3.783 1.00 43.14 N ATOM 0 H HIS A 624 -1.004 9.300 -0.922 1.00 43.33 H new ATOM 0 HA HIS A 624 -3.079 7.494 -1.992 1.00 51.20 H new ATOM 0 HB2 HIS A 624 -1.075 9.108 -3.566 1.00 2.11 H new ATOM 0 HB3 HIS A 624 -2.075 7.821 -4.210 1.00 2.11 H new ATOM 0 HD2 HIS A 624 -2.506 11.507 -2.876 1.00 63.34 H new ATOM 0 HE1 HIS A 624 -6.115 10.346 -4.754 1.00 33.02 H new ATOM 0 HE2 HIS A 624 -4.856 12.265 -3.680 1.00 43.14 H new ATOM 692 N ILE A 625 -1.507 5.659 -1.769 1.00 75.31 N ATOM 693 CA ILE A 625 -0.653 4.523 -1.465 1.00 61.14 C ATOM 694 C ILE A 625 -0.905 3.430 -2.487 1.00 5.02 C ATOM 695 O ILE A 625 -1.979 3.372 -3.077 1.00 11.32 O ATOM 696 CB ILE A 625 -1.005 3.951 -0.061 1.00 33.13 C ATOM 697 CG1 ILE A 625 -0.980 5.053 0.995 1.00 24.12 C ATOM 698 CG2 ILE A 625 -0.042 2.831 0.334 1.00 40.12 C ATOM 699 CD1 ILE A 625 -1.366 4.577 2.365 1.00 45.51 C ATOM 0 H ILE A 625 -2.490 5.415 -1.888 1.00 75.31 H new ATOM 0 HA ILE A 625 0.387 4.848 -1.486 1.00 61.14 H new ATOM 0 HB ILE A 625 -2.013 3.539 -0.116 1.00 33.13 H new ATOM 0 HG12 ILE A 625 0.021 5.483 1.037 1.00 24.12 H new ATOM 0 HG13 ILE A 625 -1.657 5.851 0.692 1.00 24.12 H new ATOM 0 HG21 ILE A 625 -0.311 2.450 1.319 1.00 40.12 H new ATOM 0 HG22 ILE A 625 -0.103 2.024 -0.396 1.00 40.12 H new ATOM 0 HG23 ILE A 625 0.976 3.219 0.361 1.00 40.12 H new ATOM 0 HD11 ILE A 625 -1.326 5.412 3.065 1.00 45.51 H new ATOM 0 HD12 ILE A 625 -2.378 4.174 2.338 1.00 45.51 H new ATOM 0 HD13 ILE A 625 -0.674 3.799 2.688 1.00 45.51 H new ATOM 706 N ASN A 626 0.065 2.593 -2.713 1.00 22.52 N ATOM 707 CA ASN A 626 -0.096 1.483 -3.608 1.00 32.43 C ATOM 708 C ASN A 626 0.703 0.325 -3.062 1.00 2.10 C ATOM 709 O ASN A 626 1.661 0.547 -2.349 1.00 44.30 O ATOM 710 CB ASN A 626 0.323 1.878 -5.017 1.00 31.32 C ATOM 711 CG ASN A 626 -0.071 0.879 -6.058 1.00 42.54 C ATOM 712 OD1 ASN A 626 -1.003 0.077 -5.861 1.00 53.15 O ATOM 713 ND2 ASN A 626 0.541 0.976 -7.192 1.00 61.33 N ATOM 0 H ASN A 626 0.988 2.659 -2.284 1.00 22.52 H new ATOM 0 HA ASN A 626 -1.141 1.180 -3.676 1.00 32.43 H new ATOM 0 HB2 ASN A 626 -0.122 2.842 -5.263 1.00 31.32 H new ATOM 0 HB3 ASN A 626 1.405 2.010 -5.042 1.00 31.32 H new ATOM 0 HD21 ASN A 626 0.266 0.380 -7.973 1.00 61.33 H new ATOM 0 HD22 ASN A 626 1.299 1.648 -7.306 1.00 61.33 H new ATOM 719 N VAL A 627 0.284 -0.894 -3.356 1.00 13.23 N ATOM 720 CA VAL A 627 0.906 -2.104 -2.786 1.00 2.35 C ATOM 721 C VAL A 627 2.329 -2.320 -3.297 1.00 71.43 C ATOM 722 O VAL A 627 3.212 -2.784 -2.580 1.00 13.24 O ATOM 723 CB VAL A 627 0.055 -3.359 -3.085 1.00 65.51 C ATOM 724 CG1 VAL A 627 0.650 -4.603 -2.434 1.00 20.03 C ATOM 725 CG2 VAL A 627 -1.362 -3.150 -2.620 1.00 24.35 C ATOM 0 H VAL A 627 -0.491 -1.085 -3.991 1.00 13.23 H new ATOM 0 HA VAL A 627 0.954 -1.947 -1.708 1.00 2.35 H new ATOM 0 HB VAL A 627 0.055 -3.516 -4.164 1.00 65.51 H new ATOM 0 HG11 VAL A 627 0.027 -5.467 -2.664 1.00 20.03 H new ATOM 0 HG12 VAL A 627 1.657 -4.769 -2.818 1.00 20.03 H new ATOM 0 HG13 VAL A 627 0.692 -4.464 -1.354 1.00 20.03 H new ATOM 0 HG21 VAL A 627 -1.951 -4.041 -2.836 1.00 24.35 H new ATOM 0 HG22 VAL A 627 -1.369 -2.962 -1.546 1.00 24.35 H new ATOM 0 HG23 VAL A 627 -1.793 -2.295 -3.140 1.00 24.35 H new ATOM 731 N CYS A 628 2.526 -1.971 -4.513 1.00 53.24 N ATOM 732 CA CYS A 628 3.787 -2.137 -5.166 1.00 63.30 C ATOM 733 C CYS A 628 4.007 -1.009 -6.130 1.00 13.33 C ATOM 734 O CYS A 628 3.057 -0.533 -6.779 1.00 10.31 O ATOM 735 CB CYS A 628 3.819 -3.439 -5.977 1.00 1.30 C ATOM 736 SG CYS A 628 3.547 -4.987 -5.057 1.00 51.25 S ATOM 0 H CYS A 628 1.806 -1.553 -5.102 1.00 53.24 H new ATOM 0 HA CYS A 628 4.558 -2.158 -4.395 1.00 63.30 H new ATOM 0 HB2 CYS A 628 3.062 -3.371 -6.759 1.00 1.30 H new ATOM 0 HB3 CYS A 628 4.786 -3.505 -6.475 1.00 1.30 H new ATOM 741 N GLY A 629 5.224 -0.589 -6.231 1.00 10.13 N ATOM 742 CA GLY A 629 5.597 0.359 -7.215 1.00 1.24 C ATOM 743 C GLY A 629 5.229 1.755 -6.827 1.00 71.41 C ATOM 744 O GLY A 629 5.267 2.101 -5.649 1.00 51.32 O ATOM 0 H GLY A 629 5.987 -0.898 -5.629 1.00 10.13 H new ATOM 0 HA2 GLY A 629 6.673 0.302 -7.381 1.00 1.24 H new ATOM 0 HA3 GLY A 629 5.115 0.108 -8.160 1.00 1.24 H new ATOM 748 N PRO A 630 4.906 2.593 -7.793 1.00 3.32 N ATOM 749 CA PRO A 630 4.527 3.948 -7.537 1.00 72.34 C ATOM 750 C PRO A 630 3.021 4.131 -7.407 1.00 60.15 C ATOM 751 O PRO A 630 2.218 3.216 -7.688 1.00 42.43 O ATOM 752 CB PRO A 630 5.018 4.653 -8.791 1.00 32.11 C ATOM 753 CG PRO A 630 4.788 3.655 -9.879 1.00 64.51 C ATOM 754 CD PRO A 630 4.910 2.292 -9.239 1.00 63.12 C ATOM 0 HA PRO A 630 4.937 4.320 -6.598 1.00 72.34 H new ATOM 0 HB2 PRO A 630 4.467 5.576 -8.972 1.00 32.11 H new ATOM 0 HB3 PRO A 630 6.071 4.922 -8.712 1.00 32.11 H new ATOM 0 HG2 PRO A 630 3.803 3.788 -10.326 1.00 64.51 H new ATOM 0 HG3 PRO A 630 5.519 3.776 -10.678 1.00 64.51 H new ATOM 0 HD2 PRO A 630 4.080 1.642 -9.517 1.00 63.12 H new ATOM 0 HD3 PRO A 630 5.827 1.786 -9.542 1.00 63.12 H new ATOM 762 N VAL A 631 2.651 5.299 -7.002 1.00 33.13 N ATOM 763 CA VAL A 631 1.282 5.690 -6.924 1.00 22.53 C ATOM 764 C VAL A 631 1.028 6.694 -8.007 1.00 62.23 C ATOM 765 O VAL A 631 1.897 7.537 -8.305 1.00 35.43 O ATOM 766 CB VAL A 631 0.925 6.327 -5.546 1.00 54.34 C ATOM 767 CG1 VAL A 631 1.108 5.332 -4.453 1.00 41.51 C ATOM 768 CG2 VAL A 631 1.765 7.566 -5.254 1.00 41.11 C ATOM 0 H VAL A 631 3.305 6.025 -6.709 1.00 33.13 H new ATOM 0 HA VAL A 631 0.662 4.802 -7.041 1.00 22.53 H new ATOM 0 HB VAL A 631 -0.120 6.633 -5.594 1.00 54.34 H new ATOM 0 HG11 VAL A 631 0.855 5.791 -3.497 1.00 41.51 H new ATOM 0 HG12 VAL A 631 0.457 4.475 -4.628 1.00 41.51 H new ATOM 0 HG13 VAL A 631 2.146 5.000 -4.433 1.00 41.51 H new ATOM 0 HG21 VAL A 631 1.483 7.977 -4.285 1.00 41.11 H new ATOM 0 HG22 VAL A 631 2.821 7.295 -5.240 1.00 41.11 H new ATOM 0 HG23 VAL A 631 1.593 8.313 -6.029 1.00 41.11 H new ATOM 774 N SER A 632 -0.101 6.611 -8.638 1.00 2.32 N ATOM 775 CA SER A 632 -0.362 7.576 -9.657 1.00 35.32 C ATOM 776 C SER A 632 -1.054 8.785 -9.047 1.00 43.22 C ATOM 777 O SER A 632 -2.114 8.664 -8.427 1.00 53.05 O ATOM 778 CB SER A 632 -1.218 6.940 -10.735 1.00 2.43 C ATOM 779 OG SER A 632 -0.572 5.777 -11.244 1.00 12.12 O ATOM 0 H SER A 632 -0.829 5.916 -8.476 1.00 2.32 H new ATOM 0 HA SER A 632 0.572 7.911 -10.108 1.00 35.32 H new ATOM 0 HB2 SER A 632 -2.194 6.676 -10.328 1.00 2.43 H new ATOM 0 HB3 SER A 632 -1.391 7.653 -11.541 1.00 2.43 H new ATOM 0 HG SER A 632 -1.200 5.025 -11.239 1.00 12.12 H new ATOM 785 N VAL A 633 -0.446 9.949 -9.238 1.00 64.34 N ATOM 786 CA VAL A 633 -0.942 11.230 -8.743 1.00 14.54 C ATOM 787 C VAL A 633 -0.366 12.297 -9.667 1.00 2.33 C ATOM 788 O VAL A 633 0.772 12.166 -10.111 1.00 65.52 O ATOM 789 CB VAL A 633 -0.442 11.556 -7.269 1.00 2.12 C ATOM 790 CG1 VAL A 633 -1.089 12.826 -6.734 1.00 5.42 C ATOM 791 CG2 VAL A 633 -0.678 10.412 -6.295 1.00 11.42 C ATOM 0 H VAL A 633 0.429 10.032 -9.755 1.00 64.34 H new ATOM 0 HA VAL A 633 -2.031 11.201 -8.724 1.00 14.54 H new ATOM 0 HB VAL A 633 0.635 11.704 -7.347 1.00 2.12 H new ATOM 0 HG11 VAL A 633 -0.727 13.022 -5.725 1.00 5.42 H new ATOM 0 HG12 VAL A 633 -0.832 13.665 -7.381 1.00 5.42 H new ATOM 0 HG13 VAL A 633 -2.172 12.702 -6.713 1.00 5.42 H new ATOM 0 HG21 VAL A 633 -0.316 10.695 -5.307 1.00 11.42 H new ATOM 0 HG22 VAL A 633 -1.745 10.194 -6.242 1.00 11.42 H new ATOM 0 HG23 VAL A 633 -0.143 9.526 -6.638 1.00 11.42 H new ATOM 797 N GLY A 634 -1.108 13.344 -9.935 1.00 63.23 N ATOM 798 CA GLY A 634 -0.611 14.407 -10.798 1.00 41.33 C ATOM 799 C GLY A 634 0.261 15.415 -10.048 1.00 10.34 C ATOM 800 O GLY A 634 0.599 16.472 -10.579 1.00 55.10 O ATOM 0 H GLY A 634 -2.051 13.490 -9.575 1.00 63.23 H new ATOM 0 HA2 GLY A 634 -0.034 13.969 -11.613 1.00 41.33 H new ATOM 0 HA3 GLY A 634 -1.455 14.928 -11.249 1.00 41.33 H new ATOM 804 N ALA A 635 0.631 15.084 -8.826 1.00 31.23 N ATOM 805 CA ALA A 635 1.441 15.963 -7.994 1.00 75.23 C ATOM 806 C ALA A 635 2.647 15.220 -7.417 1.00 55.42 C ATOM 807 O ALA A 635 3.401 15.765 -6.607 1.00 63.25 O ATOM 808 CB ALA A 635 0.590 16.555 -6.877 1.00 53.42 C ATOM 0 H ALA A 635 0.381 14.201 -8.380 1.00 31.23 H new ATOM 0 HA ALA A 635 1.818 16.774 -8.617 1.00 75.23 H new ATOM 0 HB1 ALA A 635 1.204 17.211 -6.260 1.00 53.42 H new ATOM 0 HB2 ALA A 635 -0.231 17.127 -7.309 1.00 53.42 H new ATOM 0 HB3 ALA A 635 0.187 15.751 -6.262 1.00 53.42 H new ATOM 814 N CYS A 636 2.833 13.985 -7.846 1.00 34.43 N ATOM 815 CA CYS A 636 3.938 13.165 -7.378 1.00 13.23 C ATOM 816 C CYS A 636 4.522 12.354 -8.528 1.00 41.14 C ATOM 817 O CYS A 636 3.783 11.903 -9.410 1.00 1.40 O ATOM 818 CB CYS A 636 3.525 12.266 -6.183 1.00 61.52 C ATOM 819 SG CYS A 636 3.184 13.202 -4.639 1.00 55.30 S ATOM 0 H CYS A 636 2.227 13.523 -8.524 1.00 34.43 H new ATOM 0 HA CYS A 636 4.718 13.829 -7.006 1.00 13.23 H new ATOM 0 HB2 CYS A 636 2.636 11.698 -6.457 1.00 61.52 H new ATOM 0 HB3 CYS A 636 4.318 11.543 -5.992 1.00 61.52 H new ATOM 824 N PRO A 637 5.855 12.183 -8.548 1.00 62.21 N ATOM 825 CA PRO A 637 6.567 11.504 -9.643 1.00 74.02 C ATOM 826 C PRO A 637 6.252 9.995 -9.729 1.00 22.32 C ATOM 827 O PRO A 637 5.867 9.374 -8.731 1.00 73.41 O ATOM 828 CB PRO A 637 8.044 11.717 -9.276 1.00 53.32 C ATOM 829 CG PRO A 637 8.038 11.875 -7.800 1.00 15.14 C ATOM 830 CD PRO A 637 6.790 12.632 -7.490 1.00 74.25 C ATOM 0 HA PRO A 637 6.280 11.901 -10.617 1.00 74.02 H new ATOM 0 HB2 PRO A 637 8.656 10.869 -9.582 1.00 53.32 H new ATOM 0 HB3 PRO A 637 8.453 12.599 -9.769 1.00 53.32 H new ATOM 0 HG2 PRO A 637 8.045 10.906 -7.301 1.00 15.14 H new ATOM 0 HG3 PRO A 637 8.921 12.415 -7.459 1.00 15.14 H new ATOM 0 HD2 PRO A 637 6.414 12.399 -6.494 1.00 74.25 H new ATOM 0 HD3 PRO A 637 6.952 13.709 -7.526 1.00 74.25 H new ATOM 838 N PRO A 638 6.430 9.381 -10.923 1.00 71.54 N ATOM 839 CA PRO A 638 6.190 7.931 -11.146 1.00 41.44 C ATOM 840 C PRO A 638 7.179 7.010 -10.388 1.00 60.05 C ATOM 841 O PRO A 638 7.255 5.810 -10.661 1.00 32.45 O ATOM 842 CB PRO A 638 6.381 7.764 -12.663 1.00 11.03 C ATOM 843 CG PRO A 638 6.281 9.139 -13.218 1.00 12.02 C ATOM 844 CD PRO A 638 6.841 10.042 -12.170 1.00 74.13 C ATOM 0 HA PRO A 638 5.206 7.641 -10.776 1.00 41.44 H new ATOM 0 HB2 PRO A 638 7.348 7.316 -12.892 1.00 11.03 H new ATOM 0 HB3 PRO A 638 5.618 7.111 -13.087 1.00 11.03 H new ATOM 0 HG2 PRO A 638 6.841 9.226 -14.149 1.00 12.02 H new ATOM 0 HG3 PRO A 638 5.246 9.396 -13.443 1.00 12.02 H new ATOM 0 HD2 PRO A 638 7.925 10.127 -12.245 1.00 74.13 H new ATOM 0 HD3 PRO A 638 6.436 11.051 -12.246 1.00 74.13 H new ATOM 852 N ASP A 639 7.925 7.568 -9.463 1.00 33.21 N ATOM 853 CA ASP A 639 8.824 6.798 -8.624 1.00 3.13 C ATOM 854 C ASP A 639 8.458 6.984 -7.166 1.00 42.03 C ATOM 855 O ASP A 639 9.171 6.555 -6.285 1.00 4.31 O ATOM 856 CB ASP A 639 10.307 7.157 -8.857 1.00 45.41 C ATOM 857 CG ASP A 639 10.658 8.582 -8.502 1.00 32.21 C ATOM 858 OD1 ASP A 639 10.318 9.489 -9.282 1.00 30.24 O ATOM 859 OD2 ASP A 639 11.281 8.811 -7.446 1.00 11.55 O ATOM 0 H ASP A 639 7.928 8.569 -9.268 1.00 33.21 H new ATOM 0 HA ASP A 639 8.706 5.750 -8.900 1.00 3.13 H new ATOM 0 HB2 ASP A 639 10.930 6.483 -8.269 1.00 45.41 H new ATOM 0 HB3 ASP A 639 10.552 6.984 -9.905 1.00 45.41 H new ATOM 864 N SER A 640 7.333 7.613 -6.907 1.00 64.30 N ATOM 865 CA SER A 640 6.876 7.758 -5.544 1.00 52.22 C ATOM 866 C SER A 640 5.833 6.683 -5.251 1.00 43.44 C ATOM 867 O SER A 640 4.856 6.556 -5.978 1.00 33.51 O ATOM 868 CB SER A 640 6.323 9.178 -5.284 1.00 41.03 C ATOM 869 OG SER A 640 5.253 9.513 -6.160 1.00 24.12 O ATOM 0 H SER A 640 6.725 8.028 -7.613 1.00 64.30 H new ATOM 0 HA SER A 640 7.719 7.626 -4.866 1.00 52.22 H new ATOM 0 HB2 SER A 640 5.979 9.248 -4.252 1.00 41.03 H new ATOM 0 HB3 SER A 640 7.127 9.905 -5.402 1.00 41.03 H new ATOM 0 HG SER A 640 5.612 9.736 -7.044 1.00 24.12 H new ATOM 875 N GLY A 641 6.057 5.895 -4.213 1.00 13.42 N ATOM 876 CA GLY A 641 5.116 4.832 -3.884 1.00 72.45 C ATOM 877 C GLY A 641 4.214 5.213 -2.747 1.00 52.34 C ATOM 878 O GLY A 641 3.299 4.482 -2.387 1.00 51.43 O ATOM 0 H GLY A 641 6.864 5.966 -3.593 1.00 13.42 H new ATOM 0 HA2 GLY A 641 4.514 4.596 -4.761 1.00 72.45 H new ATOM 0 HA3 GLY A 641 5.667 3.928 -3.623 1.00 72.45 H new ATOM 882 N ALA A 642 4.498 6.340 -2.172 1.00 11.34 N ATOM 883 CA ALA A 642 3.680 6.920 -1.149 1.00 22.40 C ATOM 884 C ALA A 642 3.708 8.433 -1.330 1.00 53.13 C ATOM 885 O ALA A 642 4.785 9.039 -1.365 1.00 41.23 O ATOM 886 CB ALA A 642 4.180 6.512 0.229 1.00 3.52 C ATOM 0 H ALA A 642 5.322 6.895 -2.404 1.00 11.34 H new ATOM 0 HA ALA A 642 2.654 6.562 -1.230 1.00 22.40 H new ATOM 0 HB1 ALA A 642 3.547 6.962 0.994 1.00 3.52 H new ATOM 0 HB2 ALA A 642 4.146 5.426 0.322 1.00 3.52 H new ATOM 0 HB3 ALA A 642 5.206 6.855 0.360 1.00 3.52 H new ATOM 892 N CYS A 643 2.552 9.027 -1.460 1.00 75.42 N ATOM 893 CA CYS A 643 2.428 10.456 -1.758 1.00 34.22 C ATOM 894 C CYS A 643 1.302 11.106 -0.973 1.00 74.05 C ATOM 895 O CYS A 643 0.215 10.533 -0.847 1.00 31.45 O ATOM 896 CB CYS A 643 2.174 10.633 -3.277 1.00 35.43 C ATOM 897 SG CYS A 643 1.581 12.293 -3.800 1.00 45.20 S ATOM 0 H CYS A 643 1.658 8.545 -1.365 1.00 75.42 H new ATOM 0 HA CYS A 643 3.356 10.946 -1.464 1.00 34.22 H new ATOM 0 HB2 CYS A 643 3.100 10.414 -3.809 1.00 35.43 H new ATOM 0 HB3 CYS A 643 1.442 9.890 -3.593 1.00 35.43 H new ATOM 902 N GLN A 644 1.568 12.279 -0.419 1.00 51.42 N ATOM 903 CA GLN A 644 0.540 13.073 0.211 1.00 34.13 C ATOM 904 C GLN A 644 0.469 14.476 -0.321 1.00 74.25 C ATOM 905 O GLN A 644 1.485 15.146 -0.527 1.00 2.53 O ATOM 906 CB GLN A 644 0.488 12.997 1.762 1.00 52.02 C ATOM 907 CG GLN A 644 1.797 13.024 2.507 1.00 72.15 C ATOM 908 CD GLN A 644 2.608 14.259 2.344 1.00 54.15 C ATOM 909 OE1 GLN A 644 3.397 14.352 1.456 1.00 42.23 O ATOM 910 NE2 GLN A 644 2.453 15.192 3.235 1.00 51.24 N ATOM 0 H GLN A 644 2.497 12.699 -0.396 1.00 51.42 H new ATOM 0 HA GLN A 644 -0.385 12.582 -0.093 1.00 34.13 H new ATOM 0 HB2 GLN A 644 -0.119 13.829 2.119 1.00 52.02 H new ATOM 0 HB3 GLN A 644 -0.035 12.081 2.036 1.00 52.02 H new ATOM 0 HG2 GLN A 644 1.592 12.884 3.568 1.00 72.15 H new ATOM 0 HG3 GLN A 644 2.396 12.173 2.182 1.00 72.15 H new ATOM 0 HE21 GLN A 644 1.767 15.076 3.981 1.00 51.24 H new ATOM 0 HE22 GLN A 644 3.017 16.040 3.189 1.00 51.24 H new ATOM 918 N VAL A 645 -0.726 14.896 -0.582 1.00 62.01 N ATOM 919 CA VAL A 645 -0.981 16.202 -1.088 1.00 41.44 C ATOM 920 C VAL A 645 -1.724 16.986 -0.024 1.00 40.51 C ATOM 921 O VAL A 645 -2.707 16.492 0.544 1.00 40.24 O ATOM 922 CB VAL A 645 -1.833 16.146 -2.396 1.00 0.03 C ATOM 923 CG1 VAL A 645 -2.064 17.535 -2.973 1.00 14.13 C ATOM 924 CG2 VAL A 645 -1.180 15.238 -3.435 1.00 50.34 C ATOM 0 H VAL A 645 -1.565 14.331 -0.447 1.00 62.01 H new ATOM 0 HA VAL A 645 -0.034 16.684 -1.331 1.00 41.44 H new ATOM 0 HB VAL A 645 -2.804 15.728 -2.133 1.00 0.03 H new ATOM 0 HG11 VAL A 645 -2.660 17.457 -3.882 1.00 14.13 H new ATOM 0 HG12 VAL A 645 -2.593 18.149 -2.244 1.00 14.13 H new ATOM 0 HG13 VAL A 645 -1.104 17.996 -3.207 1.00 14.13 H new ATOM 0 HG21 VAL A 645 -1.793 15.216 -4.336 1.00 50.34 H new ATOM 0 HG22 VAL A 645 -0.189 15.619 -3.680 1.00 50.34 H new ATOM 0 HG23 VAL A 645 -1.091 14.229 -3.032 1.00 50.34 H new ATOM 930 N SER A 646 -1.243 18.166 0.272 1.00 61.12 N ATOM 931 CA SER A 646 -1.879 19.027 1.220 1.00 35.33 C ATOM 932 C SER A 646 -3.156 19.529 0.616 1.00 72.54 C ATOM 933 O SER A 646 -3.187 19.910 -0.560 1.00 34.42 O ATOM 934 CB SER A 646 -0.951 20.214 1.535 1.00 15.32 C ATOM 935 OG SER A 646 -1.581 21.182 2.361 1.00 75.11 O ATOM 0 H SER A 646 -0.395 18.553 -0.143 1.00 61.12 H new ATOM 0 HA SER A 646 -2.089 18.487 2.143 1.00 35.33 H new ATOM 0 HB2 SER A 646 -0.051 19.848 2.029 1.00 15.32 H new ATOM 0 HB3 SER A 646 -0.635 20.684 0.603 1.00 15.32 H new ATOM 0 HG SER A 646 -0.947 21.901 2.564 1.00 75.11 H new ATOM 941 N ARG A 647 -4.189 19.570 1.396 1.00 24.01 N ATOM 942 CA ARG A 647 -5.444 20.020 0.886 1.00 23.15 C ATOM 943 C ARG A 647 -5.554 21.507 1.083 1.00 12.40 C ATOM 944 O ARG A 647 -6.209 22.197 0.312 1.00 5.13 O ATOM 945 CB ARG A 647 -6.603 19.283 1.559 1.00 51.53 C ATOM 946 CG ARG A 647 -6.477 17.770 1.457 1.00 61.31 C ATOM 947 CD ARG A 647 -7.670 17.047 2.048 1.00 43.30 C ATOM 948 NE ARG A 647 -8.890 17.239 1.259 1.00 35.14 N ATOM 949 CZ ARG A 647 -9.993 16.493 1.369 1.00 24.21 C ATOM 950 NH1 ARG A 647 -10.109 15.599 2.352 1.00 61.21 N ATOM 951 NH2 ARG A 647 -10.997 16.675 0.524 1.00 73.25 N ATOM 0 H ARG A 647 -4.189 19.300 2.380 1.00 24.01 H new ATOM 0 HA ARG A 647 -5.499 19.800 -0.180 1.00 23.15 H new ATOM 0 HB2 ARG A 647 -6.649 19.569 2.610 1.00 51.53 H new ATOM 0 HB3 ARG A 647 -7.542 19.597 1.102 1.00 51.53 H new ATOM 0 HG2 ARG A 647 -6.367 17.488 0.410 1.00 61.31 H new ATOM 0 HG3 ARG A 647 -5.571 17.449 1.970 1.00 61.31 H new ATOM 0 HD2 ARG A 647 -7.449 15.982 2.115 1.00 43.30 H new ATOM 0 HD3 ARG A 647 -7.839 17.402 3.065 1.00 43.30 H new ATOM 0 HE ARG A 647 -8.898 17.997 0.576 1.00 35.14 H new ATOM 0 HH11 ARG A 647 -9.353 15.481 3.026 1.00 61.21 H new ATOM 0 HH12 ARG A 647 -10.954 15.033 2.430 1.00 61.21 H new ATOM 0 HH21 ARG A 647 -10.926 17.383 -0.207 1.00 73.25 H new ATOM 0 HH22 ARG A 647 -11.841 16.108 0.605 1.00 73.25 H new ATOM 963 N SER A 648 -4.877 22.001 2.098 1.00 33.21 N ATOM 964 CA SER A 648 -4.923 23.396 2.420 1.00 35.52 C ATOM 965 C SER A 648 -3.948 24.240 1.582 1.00 23.53 C ATOM 966 O SER A 648 -4.310 25.323 1.099 1.00 41.44 O ATOM 967 CB SER A 648 -4.660 23.575 3.905 1.00 4.41 C ATOM 968 OG SER A 648 -5.586 22.802 4.656 1.00 43.04 O ATOM 0 H SER A 648 -4.285 21.444 2.715 1.00 33.21 H new ATOM 0 HA SER A 648 -5.920 23.761 2.173 1.00 35.52 H new ATOM 0 HB2 SER A 648 -3.641 23.269 4.142 1.00 4.41 H new ATOM 0 HB3 SER A 648 -4.748 24.627 4.175 1.00 4.41 H new ATOM 0 HG SER A 648 -5.410 22.920 5.613 1.00 43.04 H new ATOM 974 N ASP A 649 -2.727 23.754 1.363 1.00 31.43 N ATOM 975 CA ASP A 649 -1.758 24.592 0.645 1.00 0.32 C ATOM 976 C ASP A 649 -1.537 24.095 -0.776 1.00 3.04 C ATOM 977 O ASP A 649 -0.949 24.781 -1.599 1.00 12.11 O ATOM 978 CB ASP A 649 -0.421 24.649 1.395 1.00 70.11 C ATOM 979 CG ASP A 649 0.470 25.775 0.899 1.00 30.54 C ATOM 980 OD1 ASP A 649 1.236 25.585 -0.057 1.00 75.43 O ATOM 981 OD2 ASP A 649 0.393 26.887 1.474 1.00 52.44 O ATOM 0 H ASP A 649 -2.393 22.835 1.653 1.00 31.43 H new ATOM 0 HA ASP A 649 -2.175 25.598 0.594 1.00 0.32 H new ATOM 0 HB2 ASP A 649 -0.610 24.780 2.460 1.00 70.11 H new ATOM 0 HB3 ASP A 649 0.099 23.698 1.278 1.00 70.11 H new ATOM 986 N ARG A 650 -2.065 22.906 -1.065 1.00 10.50 N ATOM 987 CA ARG A 650 -1.930 22.258 -2.389 1.00 43.00 C ATOM 988 C ARG A 650 -0.502 21.794 -2.673 1.00 2.41 C ATOM 989 O ARG A 650 -0.124 21.586 -3.825 1.00 33.30 O ATOM 990 CB ARG A 650 -2.444 23.149 -3.552 1.00 24.42 C ATOM 991 CG ARG A 650 -3.952 23.303 -3.644 1.00 34.34 C ATOM 992 CD ARG A 650 -4.582 24.075 -2.490 1.00 73.45 C ATOM 993 NE ARG A 650 -6.039 24.132 -2.648 1.00 34.44 N ATOM 994 CZ ARG A 650 -6.915 24.650 -1.772 1.00 71.50 C ATOM 995 NH1 ARG A 650 -6.501 25.216 -0.632 1.00 12.32 N ATOM 996 NH2 ARG A 650 -8.209 24.600 -2.050 1.00 24.20 N ATOM 0 H ARG A 650 -2.601 22.356 -0.393 1.00 10.50 H new ATOM 0 HA ARG A 650 -2.568 21.376 -2.339 1.00 43.00 H new ATOM 0 HB2 ARG A 650 -2.001 24.140 -3.450 1.00 24.42 H new ATOM 0 HB3 ARG A 650 -2.081 22.733 -4.492 1.00 24.42 H new ATOM 0 HG2 ARG A 650 -4.196 23.808 -4.578 1.00 34.34 H new ATOM 0 HG3 ARG A 650 -4.403 22.312 -3.690 1.00 34.34 H new ATOM 0 HD2 ARG A 650 -4.331 23.596 -1.544 1.00 73.45 H new ATOM 0 HD3 ARG A 650 -4.174 25.085 -2.454 1.00 73.45 H new ATOM 0 HE ARG A 650 -6.424 23.740 -3.507 1.00 34.44 H new ATOM 0 HH11 ARG A 650 -5.505 25.259 -0.416 1.00 12.32 H new ATOM 0 HH12 ARG A 650 -7.182 25.604 0.021 1.00 12.32 H new ATOM 0 HH21 ARG A 650 -8.528 24.172 -2.919 1.00 24.20 H new ATOM 0 HH22 ARG A 650 -8.887 24.989 -1.395 1.00 24.20 H new ATOM 1008 N LYS A 651 0.248 21.560 -1.630 1.00 33.55 N ATOM 1009 CA LYS A 651 1.610 21.032 -1.765 1.00 11.35 C ATOM 1010 C LYS A 651 1.587 19.530 -1.809 1.00 33.52 C ATOM 1011 O LYS A 651 0.583 18.921 -1.503 1.00 10.23 O ATOM 1012 CB LYS A 651 2.507 21.465 -0.617 1.00 44.34 C ATOM 1013 CG LYS A 651 2.813 22.926 -0.567 1.00 13.21 C ATOM 1014 CD LYS A 651 3.692 23.254 0.625 1.00 34.02 C ATOM 1015 CE LYS A 651 4.089 24.714 0.643 1.00 20.33 C ATOM 1016 NZ LYS A 651 4.953 25.034 1.789 1.00 21.53 N ATOM 0 H LYS A 651 -0.048 21.722 -0.667 1.00 33.55 H new ATOM 0 HA LYS A 651 2.012 21.435 -2.695 1.00 11.35 H new ATOM 0 HB2 LYS A 651 2.034 21.177 0.322 1.00 44.34 H new ATOM 0 HB3 LYS A 651 3.446 20.915 -0.683 1.00 44.34 H new ATOM 0 HG2 LYS A 651 3.313 23.229 -1.487 1.00 13.21 H new ATOM 0 HG3 LYS A 651 1.885 23.494 -0.507 1.00 13.21 H new ATOM 0 HD2 LYS A 651 3.162 23.010 1.546 1.00 34.02 H new ATOM 0 HD3 LYS A 651 4.588 22.634 0.598 1.00 34.02 H new ATOM 0 HE2 LYS A 651 4.609 24.960 -0.283 1.00 20.33 H new ATOM 0 HE3 LYS A 651 3.193 25.333 0.680 1.00 20.33 H new ATOM 0 HZ1 LYS A 651 5.202 26.043 1.765 1.00 21.53 H new ATOM 0 HZ2 LYS A 651 4.448 24.823 2.674 1.00 21.53 H new ATOM 0 HZ3 LYS A 651 5.820 24.462 1.740 1.00 21.53 H new ATOM 1030 N SER A 652 2.681 18.953 -2.163 1.00 41.42 N ATOM 1031 CA SER A 652 2.807 17.518 -2.227 1.00 3.25 C ATOM 1032 C SER A 652 4.216 17.109 -1.844 1.00 53.44 C ATOM 1033 O SER A 652 5.180 17.843 -2.123 1.00 40.54 O ATOM 1034 CB SER A 652 2.441 17.012 -3.628 1.00 40.41 C ATOM 1035 OG SER A 652 3.227 17.652 -4.632 1.00 0.50 O ATOM 0 H SER A 652 3.529 19.458 -2.421 1.00 41.42 H new ATOM 0 HA SER A 652 2.114 17.064 -1.519 1.00 3.25 H new ATOM 0 HB2 SER A 652 2.591 15.934 -3.678 1.00 40.41 H new ATOM 0 HB3 SER A 652 1.384 17.196 -3.819 1.00 40.41 H new ATOM 0 HG SER A 652 3.347 17.044 -5.391 1.00 0.50 H new ATOM 1041 N TRP A 653 4.341 15.987 -1.192 1.00 75.42 N ATOM 1042 CA TRP A 653 5.623 15.478 -0.755 1.00 1.03 C ATOM 1043 C TRP A 653 5.627 13.968 -0.919 1.00 3.22 C ATOM 1044 O TRP A 653 4.556 13.340 -0.989 1.00 0.11 O ATOM 1045 CB TRP A 653 5.872 15.800 0.727 1.00 71.31 C ATOM 1046 CG TRP A 653 5.842 17.255 1.113 1.00 23.12 C ATOM 1047 CD1 TRP A 653 6.895 18.119 1.164 1.00 73.32 C ATOM 1048 CD2 TRP A 653 4.694 17.998 1.542 1.00 24.34 C ATOM 1049 NE1 TRP A 653 6.471 19.350 1.607 1.00 4.11 N ATOM 1050 CE2 TRP A 653 5.121 19.297 1.843 1.00 3.30 C ATOM 1051 CE3 TRP A 653 3.348 17.680 1.700 1.00 13.11 C ATOM 1052 CZ2 TRP A 653 4.244 20.277 2.294 1.00 33.41 C ATOM 1053 CZ3 TRP A 653 2.483 18.647 2.142 1.00 61.11 C ATOM 1054 CH2 TRP A 653 2.931 19.930 2.438 1.00 12.34 C ATOM 0 H TRP A 653 3.552 15.390 -0.944 1.00 75.42 H new ATOM 0 HA TRP A 653 6.403 15.946 -1.355 1.00 1.03 H new ATOM 0 HB2 TRP A 653 5.124 15.274 1.321 1.00 71.31 H new ATOM 0 HB3 TRP A 653 6.844 15.393 1.006 1.00 71.31 H new ATOM 0 HD1 TRP A 653 7.912 17.873 0.896 1.00 73.32 H new ATOM 0 HE1 TRP A 653 7.064 20.169 1.739 1.00 4.11 H new ATOM 0 HE3 TRP A 653 2.990 16.686 1.477 1.00 13.11 H new ATOM 0 HZ2 TRP A 653 4.588 21.275 2.522 1.00 33.41 H new ATOM 0 HZ3 TRP A 653 1.436 18.409 2.262 1.00 61.11 H new ATOM 0 HH2 TRP A 653 2.225 20.668 2.789 1.00 12.34 H new ATOM 1065 N ASN A 654 6.793 13.377 -1.009 1.00 54.15 N ATOM 1066 CA ASN A 654 6.865 11.939 -1.074 1.00 3.22 C ATOM 1067 C ASN A 654 6.984 11.393 0.319 1.00 44.43 C ATOM 1068 O ASN A 654 7.757 11.894 1.131 1.00 2.15 O ATOM 1069 CB ASN A 654 8.049 11.413 -1.913 1.00 73.15 C ATOM 1070 CG ASN A 654 8.032 11.830 -3.368 1.00 1.40 C ATOM 1071 OD1 ASN A 654 6.979 12.104 -3.949 1.00 14.33 O ATOM 1072 ND2 ASN A 654 9.188 11.822 -3.979 1.00 3.13 N ATOM 0 H ASN A 654 7.691 13.860 -1.039 1.00 54.15 H new ATOM 0 HA ASN A 654 5.952 11.603 -1.566 1.00 3.22 H new ATOM 0 HB2 ASN A 654 8.978 11.760 -1.461 1.00 73.15 H new ATOM 0 HB3 ASN A 654 8.057 10.324 -1.862 1.00 73.15 H new ATOM 0 HD21 ASN A 654 9.241 12.048 -4.972 1.00 3.13 H new ATOM 0 HD22 ASN A 654 10.036 11.590 -3.462 1.00 3.13 H new ATOM 1078 N LEU A 655 6.220 10.392 0.605 1.00 41.05 N ATOM 1079 CA LEU A 655 6.278 9.716 1.887 1.00 4.05 C ATOM 1080 C LEU A 655 7.193 8.527 1.782 1.00 51.14 C ATOM 1081 O LEU A 655 7.539 7.895 2.782 1.00 22.12 O ATOM 1082 CB LEU A 655 4.899 9.268 2.292 1.00 55.31 C ATOM 1083 CG LEU A 655 3.879 10.337 2.578 1.00 60.05 C ATOM 1084 CD1 LEU A 655 2.534 9.691 2.837 1.00 41.42 C ATOM 1085 CD2 LEU A 655 4.285 11.151 3.789 1.00 3.34 C ATOM 0 H LEU A 655 5.529 10.007 -0.039 1.00 41.05 H new ATOM 0 HA LEU A 655 6.661 10.402 2.642 1.00 4.05 H new ATOM 0 HB2 LEU A 655 4.506 8.631 1.500 1.00 55.31 H new ATOM 0 HB3 LEU A 655 4.995 8.647 3.183 1.00 55.31 H new ATOM 0 HG LEU A 655 3.815 11.000 1.715 1.00 60.05 H new ATOM 0 HD11 LEU A 655 1.793 10.463 3.044 1.00 41.42 H new ATOM 0 HD12 LEU A 655 2.229 9.122 1.959 1.00 41.42 H new ATOM 0 HD13 LEU A 655 2.611 9.022 3.694 1.00 41.42 H new ATOM 0 HD21 LEU A 655 3.535 11.919 3.980 1.00 3.34 H new ATOM 0 HD22 LEU A 655 4.364 10.497 4.657 1.00 3.34 H new ATOM 0 HD23 LEU A 655 5.249 11.624 3.603 1.00 3.34 H new ATOM 1093 N GLY A 656 7.566 8.228 0.566 1.00 11.02 N ATOM 1094 CA GLY A 656 8.462 7.166 0.301 1.00 3.21 C ATOM 1095 C GLY A 656 8.556 6.904 -1.173 1.00 23.40 C ATOM 1096 O GLY A 656 7.575 7.103 -1.922 1.00 41.03 O ATOM 0 H GLY A 656 7.247 8.726 -0.265 1.00 11.02 H new ATOM 0 HA2 GLY A 656 9.449 7.410 0.695 1.00 3.21 H new ATOM 0 HA3 GLY A 656 8.127 6.265 0.815 1.00 3.21 H new ATOM 1100 N ARG A 657 9.699 6.478 -1.597 1.00 62.24 N ATOM 1101 CA ARG A 657 9.972 6.238 -2.970 1.00 14.03 C ATOM 1102 C ARG A 657 9.566 4.789 -3.287 1.00 61.23 C ATOM 1103 O ARG A 657 9.631 3.916 -2.404 1.00 61.32 O ATOM 1104 CB ARG A 657 11.456 6.511 -3.240 1.00 30.13 C ATOM 1105 CG ARG A 657 11.787 6.727 -4.689 1.00 42.22 C ATOM 1106 CD ARG A 657 13.215 7.179 -4.881 1.00 42.25 C ATOM 1107 NE ARG A 657 13.446 7.688 -6.235 1.00 10.44 N ATOM 1108 CZ ARG A 657 14.645 7.918 -6.773 1.00 21.01 C ATOM 1109 NH1 ARG A 657 15.759 7.627 -6.096 1.00 14.22 N ATOM 1110 NH2 ARG A 657 14.734 8.436 -7.992 1.00 71.30 N ATOM 0 H ARG A 657 10.488 6.283 -0.980 1.00 62.24 H new ATOM 0 HA ARG A 657 9.402 6.901 -3.621 1.00 14.03 H new ATOM 0 HB2 ARG A 657 11.761 7.391 -2.674 1.00 30.13 H new ATOM 0 HB3 ARG A 657 12.043 5.672 -2.866 1.00 30.13 H new ATOM 0 HG2 ARG A 657 11.622 5.801 -5.241 1.00 42.22 H new ATOM 0 HG3 ARG A 657 11.111 7.472 -5.108 1.00 42.22 H new ATOM 0 HD2 ARG A 657 13.451 7.957 -4.155 1.00 42.25 H new ATOM 0 HD3 ARG A 657 13.890 6.345 -4.686 1.00 42.25 H new ATOM 0 HE ARG A 657 12.627 7.882 -6.811 1.00 10.44 H new ATOM 0 HH11 ARG A 657 15.697 7.226 -5.160 1.00 14.22 H new ATOM 0 HH12 ARG A 657 16.672 7.806 -6.515 1.00 14.22 H new ATOM 0 HH21 ARG A 657 13.887 8.657 -8.515 1.00 71.30 H new ATOM 0 HH22 ARG A 657 15.650 8.613 -8.405 1.00 71.30 H new ATOM 1122 N SER A 658 9.134 4.560 -4.508 1.00 60.34 N ATOM 1123 CA SER A 658 8.546 3.304 -4.947 1.00 1.15 C ATOM 1124 C SER A 658 9.406 2.071 -4.709 1.00 42.44 C ATOM 1125 O SER A 658 10.639 2.131 -4.724 1.00 23.23 O ATOM 1126 CB SER A 658 8.188 3.399 -6.430 1.00 42.11 C ATOM 1127 OG SER A 658 9.332 3.708 -7.226 1.00 21.41 O ATOM 0 H SER A 658 9.182 5.261 -5.248 1.00 60.34 H new ATOM 0 HA SER A 658 7.659 3.165 -4.329 1.00 1.15 H new ATOM 0 HB2 SER A 658 7.757 2.455 -6.762 1.00 42.11 H new ATOM 0 HB3 SER A 658 7.426 4.165 -6.573 1.00 42.11 H new ATOM 0 HG SER A 658 9.592 4.641 -7.077 1.00 21.41 H new ATOM 1133 N ASN A 659 8.729 0.970 -4.487 1.00 52.41 N ATOM 1134 CA ASN A 659 9.321 -0.349 -4.365 1.00 34.23 C ATOM 1135 C ASN A 659 8.172 -1.328 -4.338 1.00 15.33 C ATOM 1136 O ASN A 659 7.031 -0.914 -4.213 1.00 52.51 O ATOM 1137 CB ASN A 659 10.194 -0.522 -3.086 1.00 23.21 C ATOM 1138 CG ASN A 659 9.405 -0.583 -1.787 1.00 42.02 C ATOM 1139 OD1 ASN A 659 8.987 -1.652 -1.364 1.00 34.24 O ATOM 1140 ND2 ASN A 659 9.234 0.520 -1.130 1.00 4.25 N ATOM 0 H ASN A 659 7.714 0.963 -4.382 1.00 52.41 H new ATOM 0 HA ASN A 659 9.997 -0.515 -5.203 1.00 34.23 H new ATOM 0 HB2 ASN A 659 10.781 -1.435 -3.183 1.00 23.21 H new ATOM 0 HB3 ASN A 659 10.900 0.306 -3.029 1.00 23.21 H new ATOM 0 HD21 ASN A 659 8.741 0.511 -0.237 1.00 4.25 H new ATOM 0 HD22 ASN A 659 9.593 1.398 -1.505 1.00 4.25 H new ATOM 1146 N ALA A 660 8.449 -2.585 -4.478 1.00 54.25 N ATOM 1147 CA ALA A 660 7.410 -3.599 -4.447 1.00 33.34 C ATOM 1148 C ALA A 660 7.773 -4.636 -3.407 1.00 33.00 C ATOM 1149 O ALA A 660 7.326 -5.783 -3.454 1.00 21.21 O ATOM 1150 CB ALA A 660 7.286 -4.238 -5.823 1.00 53.12 C ATOM 0 H ALA A 660 9.391 -2.950 -4.617 1.00 54.25 H new ATOM 0 HA ALA A 660 6.451 -3.152 -4.186 1.00 33.34 H new ATOM 0 HB1 ALA A 660 6.506 -5.000 -5.802 1.00 53.12 H new ATOM 0 HB2 ALA A 660 7.027 -3.475 -6.557 1.00 53.12 H new ATOM 0 HB3 ALA A 660 8.235 -4.698 -6.097 1.00 53.12 H new ATOM 1156 N LYS A 661 8.539 -4.206 -2.449 1.00 72.01 N ATOM 1157 CA LYS A 661 9.059 -5.028 -1.441 1.00 2.14 C ATOM 1158 C LYS A 661 8.074 -5.081 -0.290 1.00 42.13 C ATOM 1159 O LYS A 661 7.764 -4.044 0.336 1.00 62.15 O ATOM 1160 CB LYS A 661 10.458 -4.456 -1.046 1.00 31.44 C ATOM 1161 CG LYS A 661 11.191 -5.102 0.131 1.00 43.44 C ATOM 1162 CD LYS A 661 10.534 -4.829 1.486 1.00 35.11 C ATOM 1163 CE LYS A 661 10.695 -3.383 2.003 1.00 72.15 C ATOM 1164 NZ LYS A 661 10.090 -2.356 1.117 1.00 51.21 N ATOM 0 H LYS A 661 8.820 -3.229 -2.361 1.00 72.01 H new ATOM 0 HA LYS A 661 9.200 -6.058 -1.769 1.00 2.14 H new ATOM 0 HB2 LYS A 661 11.105 -4.523 -1.920 1.00 31.44 H new ATOM 0 HB3 LYS A 661 10.335 -3.396 -0.822 1.00 31.44 H new ATOM 0 HG2 LYS A 661 11.240 -6.179 -0.029 1.00 43.44 H new ATOM 0 HG3 LYS A 661 12.218 -4.736 0.154 1.00 43.44 H new ATOM 0 HD2 LYS A 661 9.471 -5.057 1.411 1.00 35.11 H new ATOM 0 HD3 LYS A 661 10.956 -5.513 2.223 1.00 35.11 H new ATOM 0 HE2 LYS A 661 10.242 -3.308 2.991 1.00 72.15 H new ATOM 0 HE3 LYS A 661 11.757 -3.166 2.122 1.00 72.15 H new ATOM 0 HZ1 LYS A 661 9.760 -1.554 1.691 1.00 51.21 H new ATOM 0 HZ2 LYS A 661 10.801 -2.024 0.434 1.00 51.21 H new ATOM 0 HZ3 LYS A 661 9.285 -2.770 0.605 1.00 51.21 H new ATOM 1178 N LEU A 662 7.582 -6.261 -0.022 1.00 34.34 N ATOM 1179 CA LEU A 662 6.677 -6.468 1.070 1.00 65.04 C ATOM 1180 C LEU A 662 7.442 -7.050 2.228 1.00 64.32 C ATOM 1181 O LEU A 662 8.341 -7.886 2.039 1.00 13.22 O ATOM 1182 CB LEU A 662 5.562 -7.453 0.704 1.00 14.24 C ATOM 1183 CG LEU A 662 4.656 -7.119 -0.469 1.00 53.21 C ATOM 1184 CD1 LEU A 662 3.586 -8.181 -0.600 1.00 12.33 C ATOM 1185 CD2 LEU A 662 4.026 -5.752 -0.320 1.00 45.34 C ATOM 0 H LEU A 662 7.799 -7.103 -0.555 1.00 34.34 H new ATOM 0 HA LEU A 662 6.229 -5.506 1.321 1.00 65.04 H new ATOM 0 HB2 LEU A 662 6.026 -8.418 0.500 1.00 14.24 H new ATOM 0 HB3 LEU A 662 4.931 -7.582 1.584 1.00 14.24 H new ATOM 0 HG LEU A 662 5.264 -7.098 -1.373 1.00 53.21 H new ATOM 0 HD11 LEU A 662 2.936 -7.941 -1.442 1.00 12.33 H new ATOM 0 HD12 LEU A 662 4.054 -9.151 -0.768 1.00 12.33 H new ATOM 0 HD13 LEU A 662 2.995 -8.217 0.315 1.00 12.33 H new ATOM 0 HD21 LEU A 662 3.386 -5.551 -1.179 1.00 45.34 H new ATOM 0 HD22 LEU A 662 3.430 -5.724 0.592 1.00 45.34 H new ATOM 0 HD23 LEU A 662 4.808 -4.995 -0.266 1.00 45.34 H new ATOM 1193 N SER A 663 7.108 -6.625 3.384 1.00 34.14 N ATOM 1194 CA SER A 663 7.672 -7.132 4.578 1.00 62.01 C ATOM 1195 C SER A 663 6.546 -7.868 5.309 1.00 23.24 C ATOM 1196 O SER A 663 5.387 -7.575 5.090 1.00 2.04 O ATOM 1197 CB SER A 663 8.193 -5.960 5.407 1.00 61.41 C ATOM 1198 OG SER A 663 9.041 -5.110 4.622 1.00 51.22 O ATOM 0 H SER A 663 6.414 -5.893 3.534 1.00 34.14 H new ATOM 0 HA SER A 663 8.505 -7.810 4.393 1.00 62.01 H new ATOM 0 HB2 SER A 663 7.353 -5.383 5.795 1.00 61.41 H new ATOM 0 HB3 SER A 663 8.746 -6.336 6.268 1.00 61.41 H new ATOM 0 HG SER A 663 9.966 -5.191 4.936 1.00 51.22 H new ATOM 1204 N TYR A 664 6.856 -8.835 6.101 1.00 33.53 N ATOM 1205 CA TYR A 664 5.832 -9.573 6.793 1.00 75.12 C ATOM 1206 C TYR A 664 6.171 -9.748 8.237 1.00 55.14 C ATOM 1207 O TYR A 664 7.195 -10.336 8.577 1.00 4.11 O ATOM 1208 CB TYR A 664 5.656 -10.909 6.117 1.00 21.25 C ATOM 1209 CG TYR A 664 4.597 -11.845 6.663 1.00 23.11 C ATOM 1210 CD1 TYR A 664 3.246 -11.509 6.660 1.00 65.04 C ATOM 1211 CD2 TYR A 664 4.947 -13.088 7.143 1.00 20.23 C ATOM 1212 CE1 TYR A 664 2.304 -12.365 7.107 1.00 0.31 C ATOM 1213 CE2 TYR A 664 3.993 -13.969 7.593 1.00 41.05 C ATOM 1214 CZ TYR A 664 2.669 -13.606 7.571 1.00 73.44 C ATOM 1215 OH TYR A 664 1.711 -14.482 8.021 1.00 23.13 O ATOM 0 H TYR A 664 7.810 -9.141 6.292 1.00 33.53 H new ATOM 0 HA TYR A 664 4.897 -9.015 6.750 1.00 75.12 H new ATOM 0 HB2 TYR A 664 5.431 -10.725 5.067 1.00 21.25 H new ATOM 0 HB3 TYR A 664 6.613 -11.430 6.151 1.00 21.25 H new ATOM 0 HD1 TYR A 664 2.945 -10.540 6.291 1.00 65.04 H new ATOM 0 HD2 TYR A 664 5.988 -13.375 7.166 1.00 20.23 H new ATOM 0 HE1 TYR A 664 1.264 -12.075 7.100 1.00 0.31 H new ATOM 0 HE2 TYR A 664 4.283 -14.942 7.962 1.00 41.05 H new ATOM 0 HH TYR A 664 2.139 -15.314 8.312 1.00 23.13 H new ATOM 1225 N TYR A 665 5.316 -9.251 9.069 1.00 13.43 N ATOM 1226 CA TYR A 665 5.429 -9.410 10.487 1.00 45.12 C ATOM 1227 C TYR A 665 4.775 -10.762 10.787 1.00 12.31 C ATOM 1228 O TYR A 665 4.478 -11.506 9.849 1.00 73.25 O ATOM 1229 CB TYR A 665 4.667 -8.237 11.156 1.00 62.03 C ATOM 1230 CG TYR A 665 4.804 -8.135 12.649 1.00 52.41 C ATOM 1231 CD1 TYR A 665 5.978 -7.680 13.208 1.00 22.02 C ATOM 1232 CD2 TYR A 665 3.764 -8.501 13.497 1.00 51.10 C ATOM 1233 CE1 TYR A 665 6.123 -7.585 14.565 1.00 43.55 C ATOM 1234 CE2 TYR A 665 3.901 -8.414 14.861 1.00 1.03 C ATOM 1235 CZ TYR A 665 5.083 -7.956 15.392 1.00 14.11 C ATOM 1236 OH TYR A 665 5.227 -7.873 16.751 1.00 61.42 O ATOM 0 H TYR A 665 4.501 -8.711 8.779 1.00 13.43 H new ATOM 0 HA TYR A 665 6.453 -9.394 10.860 1.00 45.12 H new ATOM 0 HB2 TYR A 665 5.015 -7.303 10.714 1.00 62.03 H new ATOM 0 HB3 TYR A 665 3.609 -8.330 10.913 1.00 62.03 H new ATOM 0 HD1 TYR A 665 6.797 -7.394 12.565 1.00 22.02 H new ATOM 0 HD2 TYR A 665 2.836 -8.859 13.077 1.00 51.10 H new ATOM 0 HE1 TYR A 665 7.048 -7.221 14.987 1.00 43.55 H new ATOM 0 HE2 TYR A 665 3.088 -8.703 15.510 1.00 1.03 H new ATOM 0 HH TYR A 665 4.401 -8.171 17.186 1.00 61.42 H new ATOM 1246 N ASP A 666 4.569 -11.115 12.024 1.00 64.02 N ATOM 1247 CA ASP A 666 3.871 -12.358 12.296 1.00 23.13 C ATOM 1248 C ASP A 666 2.387 -12.196 11.947 1.00 31.33 C ATOM 1249 O ASP A 666 1.577 -11.763 12.772 1.00 60.31 O ATOM 1250 CB ASP A 666 4.045 -12.816 13.749 1.00 64.22 C ATOM 1251 CG ASP A 666 3.484 -14.209 13.992 1.00 44.12 C ATOM 1252 OD1 ASP A 666 2.288 -14.351 14.316 1.00 50.44 O ATOM 1253 OD2 ASP A 666 4.245 -15.183 13.873 1.00 74.52 O ATOM 0 H ASP A 666 4.861 -10.584 12.845 1.00 64.02 H new ATOM 0 HA ASP A 666 4.309 -13.136 11.671 1.00 23.13 H new ATOM 0 HB2 ASP A 666 5.104 -12.805 14.006 1.00 64.22 H new ATOM 0 HB3 ASP A 666 3.549 -12.107 14.412 1.00 64.22 H new ATOM 1258 N GLY A 667 2.076 -12.432 10.685 1.00 73.12 N ATOM 1259 CA GLY A 667 0.725 -12.353 10.199 1.00 33.43 C ATOM 1260 C GLY A 667 0.424 -11.077 9.452 1.00 0.12 C ATOM 1261 O GLY A 667 -0.204 -11.106 8.385 1.00 54.50 O ATOM 0 H GLY A 667 2.761 -12.684 9.972 1.00 73.12 H new ATOM 0 HA2 GLY A 667 0.534 -13.202 9.542 1.00 33.43 H new ATOM 0 HA3 GLY A 667 0.039 -12.441 11.042 1.00 33.43 H new ATOM 1265 N MET A 668 0.851 -9.966 9.991 1.00 61.41 N ATOM 1266 CA MET A 668 0.603 -8.692 9.362 1.00 2.20 C ATOM 1267 C MET A 668 1.619 -8.417 8.293 1.00 54.12 C ATOM 1268 O MET A 668 2.814 -8.319 8.573 1.00 34.14 O ATOM 1269 CB MET A 668 0.615 -7.512 10.360 1.00 50.12 C ATOM 1270 CG MET A 668 -0.457 -7.524 11.441 1.00 13.02 C ATOM 1271 SD MET A 668 -0.261 -8.849 12.641 1.00 52.11 S ATOM 1272 CE MET A 668 -1.625 -8.486 13.733 1.00 41.43 C ATOM 0 H MET A 668 1.373 -9.915 10.866 1.00 61.41 H new ATOM 0 HA MET A 668 -0.396 -8.766 8.932 1.00 2.20 H new ATOM 0 HB2 MET A 668 1.590 -7.487 10.847 1.00 50.12 H new ATOM 0 HB3 MET A 668 0.518 -6.586 9.794 1.00 50.12 H new ATOM 0 HG2 MET A 668 -0.444 -6.568 11.964 1.00 13.02 H new ATOM 0 HG3 MET A 668 -1.435 -7.615 10.969 1.00 13.02 H new ATOM 0 HE1 MET A 668 -1.650 -9.218 14.540 1.00 41.43 H new ATOM 0 HE2 MET A 668 -1.500 -7.488 14.152 1.00 41.43 H new ATOM 0 HE3 MET A 668 -2.560 -8.530 13.174 1.00 41.43 H new ATOM 1282 N ILE A 669 1.171 -8.318 7.077 1.00 21.13 N ATOM 1283 CA ILE A 669 2.038 -7.885 6.017 1.00 33.21 C ATOM 1284 C ILE A 669 2.321 -6.392 6.226 1.00 20.20 C ATOM 1285 O ILE A 669 1.428 -5.627 6.574 1.00 65.44 O ATOM 1286 CB ILE A 669 1.439 -8.118 4.588 1.00 73.03 C ATOM 1287 CG1 ILE A 669 1.431 -9.584 4.140 1.00 21.03 C ATOM 1288 CG2 ILE A 669 2.107 -7.259 3.522 1.00 34.22 C ATOM 1289 CD1 ILE A 669 0.468 -10.492 4.859 1.00 32.02 C ATOM 0 H ILE A 669 0.215 -8.530 6.793 1.00 21.13 H new ATOM 0 HA ILE A 669 2.950 -8.480 6.060 1.00 33.21 H new ATOM 0 HB ILE A 669 0.399 -7.807 4.690 1.00 73.03 H new ATOM 0 HG12 ILE A 669 1.202 -9.616 3.075 1.00 21.03 H new ATOM 0 HG13 ILE A 669 2.437 -9.985 4.262 1.00 21.03 H new ATOM 0 HG21 ILE A 669 1.652 -7.462 2.553 1.00 34.22 H new ATOM 0 HG22 ILE A 669 1.977 -6.205 3.770 1.00 34.22 H new ATOM 0 HG23 ILE A 669 3.171 -7.494 3.480 1.00 34.22 H new ATOM 0 HD11 ILE A 669 0.552 -11.502 4.458 1.00 32.02 H new ATOM 0 HD12 ILE A 669 0.704 -10.504 5.923 1.00 32.02 H new ATOM 0 HD13 ILE A 669 -0.550 -10.128 4.717 1.00 32.02 H new ATOM 1296 N GLN A 670 3.536 -6.001 6.059 1.00 64.35 N ATOM 1297 CA GLN A 670 3.913 -4.638 6.216 1.00 11.53 C ATOM 1298 C GLN A 670 4.526 -4.159 4.938 1.00 72.13 C ATOM 1299 O GLN A 670 5.434 -4.763 4.413 1.00 34.51 O ATOM 1300 CB GLN A 670 4.888 -4.452 7.369 1.00 51.23 C ATOM 1301 CG GLN A 670 4.366 -4.955 8.697 1.00 62.33 C ATOM 1302 CD GLN A 670 5.292 -4.635 9.836 1.00 53.54 C ATOM 1303 OE1 GLN A 670 6.204 -5.395 10.150 1.00 63.41 O ATOM 1304 NE2 GLN A 670 5.051 -3.521 10.480 1.00 15.14 N ATOM 0 H GLN A 670 4.304 -6.623 5.807 1.00 64.35 H new ATOM 0 HA GLN A 670 3.023 -4.054 6.450 1.00 11.53 H new ATOM 0 HB2 GLN A 670 5.817 -4.971 7.134 1.00 51.23 H new ATOM 0 HB3 GLN A 670 5.129 -3.393 7.461 1.00 51.23 H new ATOM 0 HG2 GLN A 670 3.389 -4.512 8.891 1.00 62.33 H new ATOM 0 HG3 GLN A 670 4.222 -6.034 8.642 1.00 62.33 H new ATOM 0 HE21 GLN A 670 4.283 -2.918 10.186 1.00 15.14 H new ATOM 0 HE22 GLN A 670 5.631 -3.256 11.276 1.00 15.14 H new ATOM 1312 N LEU A 671 4.041 -3.101 4.451 1.00 73.12 N ATOM 1313 CA LEU A 671 4.525 -2.563 3.207 1.00 23.24 C ATOM 1314 C LEU A 671 5.372 -1.392 3.623 1.00 53.34 C ATOM 1315 O LEU A 671 4.980 -0.664 4.531 1.00 40.24 O ATOM 1316 CB LEU A 671 3.331 -2.071 2.394 1.00 30.13 C ATOM 1317 CG LEU A 671 3.401 -2.110 0.854 1.00 31.31 C ATOM 1318 CD1 LEU A 671 2.229 -1.395 0.265 1.00 42.23 C ATOM 1319 CD2 LEU A 671 4.691 -1.589 0.259 1.00 62.41 C ATOM 0 H LEU A 671 3.293 -2.561 4.885 1.00 73.12 H new ATOM 0 HA LEU A 671 5.076 -3.284 2.604 1.00 23.24 H new ATOM 0 HB2 LEU A 671 2.464 -2.657 2.698 1.00 30.13 H new ATOM 0 HB3 LEU A 671 3.137 -1.039 2.687 1.00 30.13 H new ATOM 0 HG LEU A 671 3.373 -3.167 0.591 1.00 31.31 H new ATOM 0 HD11 LEU A 671 2.291 -1.430 -0.823 1.00 42.23 H new ATOM 0 HD12 LEU A 671 1.307 -1.876 0.592 1.00 42.23 H new ATOM 0 HD13 LEU A 671 2.233 -0.356 0.595 1.00 42.23 H new ATOM 0 HD21 LEU A 671 4.644 -1.657 -0.828 1.00 62.41 H new ATOM 0 HD22 LEU A 671 4.832 -0.548 0.551 1.00 62.41 H new ATOM 0 HD23 LEU A 671 5.527 -2.185 0.624 1.00 62.41 H new ATOM 1327 N THR A 672 6.507 -1.195 3.040 1.00 73.03 N ATOM 1328 CA THR A 672 7.332 -0.117 3.506 1.00 25.12 C ATOM 1329 C THR A 672 7.883 0.690 2.354 1.00 23.32 C ATOM 1330 O THR A 672 8.401 0.133 1.398 1.00 32.44 O ATOM 1331 CB THR A 672 8.479 -0.638 4.424 1.00 2.12 C ATOM 1332 OG1 THR A 672 7.905 -1.400 5.507 1.00 54.51 O ATOM 1333 CG2 THR A 672 9.271 0.524 5.017 1.00 51.20 C ATOM 0 H THR A 672 6.881 -1.742 2.265 1.00 73.03 H new ATOM 0 HA THR A 672 6.702 0.543 4.103 1.00 25.12 H new ATOM 0 HB THR A 672 9.148 -1.256 3.825 1.00 2.12 H new ATOM 0 HG1 THR A 672 7.978 -2.357 5.308 1.00 54.51 H new ATOM 0 HG21 THR A 672 10.066 0.135 5.654 1.00 51.20 H new ATOM 0 HG22 THR A 672 9.708 1.115 4.212 1.00 51.20 H new ATOM 0 HG23 THR A 672 8.606 1.153 5.609 1.00 51.20 H new ATOM 1339 N TYR A 673 7.714 1.989 2.445 1.00 60.52 N ATOM 1340 CA TYR A 673 8.241 2.935 1.496 1.00 24.32 C ATOM 1341 C TYR A 673 9.199 3.867 2.188 1.00 34.33 C ATOM 1342 O TYR A 673 8.804 4.635 3.074 1.00 61.12 O ATOM 1343 CB TYR A 673 7.127 3.736 0.819 1.00 42.15 C ATOM 1344 CG TYR A 673 6.327 2.919 -0.130 1.00 34.43 C ATOM 1345 CD1 TYR A 673 6.810 2.685 -1.394 1.00 21.42 C ATOM 1346 CD2 TYR A 673 5.112 2.367 0.225 1.00 31.31 C ATOM 1347 CE1 TYR A 673 6.128 1.923 -2.286 1.00 54.14 C ATOM 1348 CE2 TYR A 673 4.406 1.600 -0.671 1.00 61.02 C ATOM 1349 CZ TYR A 673 4.925 1.380 -1.936 1.00 61.41 C ATOM 1350 OH TYR A 673 4.256 0.589 -2.832 1.00 23.11 O ATOM 0 H TYR A 673 7.191 2.426 3.204 1.00 60.52 H new ATOM 0 HA TYR A 673 8.766 2.378 0.720 1.00 24.32 H new ATOM 0 HB2 TYR A 673 6.467 4.149 1.582 1.00 42.15 H new ATOM 0 HB3 TYR A 673 7.565 4.580 0.286 1.00 42.15 H new ATOM 0 HD1 TYR A 673 7.756 3.118 -1.685 1.00 21.42 H new ATOM 0 HD2 TYR A 673 4.714 2.539 1.214 1.00 31.31 H new ATOM 0 HE1 TYR A 673 6.536 1.746 -3.270 1.00 54.14 H new ATOM 0 HE2 TYR A 673 3.455 1.173 -0.391 1.00 61.02 H new ATOM 0 HH TYR A 673 3.328 0.476 -2.539 1.00 23.11 H new ATOM 1360 N ARG A 674 10.443 3.777 1.822 1.00 22.03 N ATOM 1361 CA ARG A 674 11.469 4.619 2.383 1.00 2.44 C ATOM 1362 C ARG A 674 11.883 5.652 1.364 1.00 73.50 C ATOM 1363 O ARG A 674 11.348 5.661 0.266 1.00 52.24 O ATOM 1364 CB ARG A 674 12.671 3.781 2.808 1.00 73.44 C ATOM 1365 CG ARG A 674 12.366 2.789 3.915 1.00 41.53 C ATOM 1366 CD ARG A 674 13.585 1.956 4.264 1.00 31.12 C ATOM 1367 NE ARG A 674 14.705 2.784 4.702 1.00 42.53 N ATOM 1368 CZ ARG A 674 15.836 2.327 5.229 1.00 21.35 C ATOM 1369 NH1 ARG A 674 16.018 1.025 5.400 1.00 1.42 N ATOM 1370 NH2 ARG A 674 16.793 3.178 5.569 1.00 75.14 N ATOM 0 H ARG A 674 10.781 3.116 1.123 1.00 22.03 H new ATOM 0 HA ARG A 674 11.076 5.123 3.266 1.00 2.44 H new ATOM 0 HB2 ARG A 674 13.049 3.239 1.941 1.00 73.44 H new ATOM 0 HB3 ARG A 674 13.468 4.447 3.139 1.00 73.44 H new ATOM 0 HG2 ARG A 674 12.024 3.324 4.801 1.00 41.53 H new ATOM 0 HG3 ARG A 674 11.552 2.134 3.604 1.00 41.53 H new ATOM 0 HD2 ARG A 674 13.327 1.248 5.052 1.00 31.12 H new ATOM 0 HD3 ARG A 674 13.885 1.370 3.395 1.00 31.12 H new ATOM 0 HE ARG A 674 14.612 3.794 4.595 1.00 42.53 H new ATOM 0 HH11 ARG A 674 15.288 0.368 5.126 1.00 1.42 H new ATOM 0 HH12 ARG A 674 16.888 0.681 5.805 1.00 1.42 H new ATOM 0 HH21 ARG A 674 16.660 4.179 5.426 1.00 75.14 H new ATOM 0 HH22 ARG A 674 17.663 2.832 5.974 1.00 75.14 H new ATOM 1382 N ASP A 675 12.815 6.522 1.740 1.00 13.53 N ATOM 1383 CA ASP A 675 13.361 7.601 0.868 1.00 23.21 C ATOM 1384 C ASP A 675 12.357 8.769 0.752 1.00 65.44 C ATOM 1385 O ASP A 675 12.410 9.574 -0.170 1.00 64.30 O ATOM 1386 CB ASP A 675 13.770 7.064 -0.543 1.00 12.23 C ATOM 1387 CG ASP A 675 14.560 8.065 -1.365 1.00 20.32 C ATOM 1388 OD1 ASP A 675 15.764 8.280 -1.062 1.00 53.32 O ATOM 1389 OD2 ASP A 675 14.015 8.625 -2.330 1.00 14.45 O ATOM 0 H ASP A 675 13.231 6.512 2.671 1.00 13.53 H new ATOM 0 HA ASP A 675 14.269 7.975 1.340 1.00 23.21 H new ATOM 0 HB2 ASP A 675 14.363 6.158 -0.420 1.00 12.23 H new ATOM 0 HB3 ASP A 675 12.871 6.784 -1.092 1.00 12.23 H new ATOM 1394 N GLY A 676 11.464 8.871 1.726 1.00 41.41 N ATOM 1395 CA GLY A 676 10.495 9.957 1.748 1.00 4.00 C ATOM 1396 C GLY A 676 11.151 11.334 1.827 1.00 0.32 C ATOM 1397 O GLY A 676 12.326 11.457 2.166 1.00 44.35 O ATOM 0 H GLY A 676 11.390 8.219 2.507 1.00 41.41 H new ATOM 0 HA2 GLY A 676 9.877 9.905 0.851 1.00 4.00 H new ATOM 0 HA3 GLY A 676 9.830 9.827 2.602 1.00 4.00 H new ATOM 1401 N THR A 677 10.402 12.350 1.536 1.00 54.45 N ATOM 1402 CA THR A 677 10.903 13.705 1.518 1.00 45.10 C ATOM 1403 C THR A 677 11.140 14.209 2.959 1.00 11.13 C ATOM 1404 O THR A 677 10.260 14.088 3.800 1.00 70.22 O ATOM 1405 CB THR A 677 9.875 14.627 0.813 1.00 31.34 C ATOM 1406 OG1 THR A 677 9.549 14.076 -0.479 1.00 45.53 O ATOM 1407 CG2 THR A 677 10.432 16.035 0.626 1.00 14.51 C ATOM 0 H THR A 677 9.413 12.271 1.300 1.00 54.45 H new ATOM 0 HA THR A 677 11.849 13.724 0.976 1.00 45.10 H new ATOM 0 HB THR A 677 8.985 14.687 1.439 1.00 31.34 H new ATOM 0 HG1 THR A 677 9.477 14.801 -1.135 1.00 45.53 H new ATOM 0 HG21 THR A 677 9.688 16.658 0.129 1.00 14.51 H new ATOM 0 HG22 THR A 677 10.672 16.463 1.599 1.00 14.51 H new ATOM 0 HG23 THR A 677 11.334 15.991 0.016 1.00 14.51 H new ATOM 1413 N PRO A 678 12.353 14.710 3.268 1.00 0.23 N ATOM 1414 CA PRO A 678 12.657 15.303 4.577 1.00 34.51 C ATOM 1415 C PRO A 678 11.994 16.666 4.740 1.00 21.43 C ATOM 1416 O PRO A 678 12.026 17.498 3.825 1.00 60.23 O ATOM 1417 CB PRO A 678 14.186 15.482 4.550 1.00 42.33 C ATOM 1418 CG PRO A 678 14.643 14.654 3.409 1.00 24.32 C ATOM 1419 CD PRO A 678 13.536 14.709 2.405 1.00 11.30 C ATOM 0 HA PRO A 678 12.298 14.682 5.398 1.00 34.51 H new ATOM 0 HB2 PRO A 678 14.460 16.528 4.414 1.00 42.33 H new ATOM 0 HB3 PRO A 678 14.640 15.153 5.485 1.00 42.33 H new ATOM 0 HG2 PRO A 678 15.572 15.042 2.990 1.00 24.32 H new ATOM 0 HG3 PRO A 678 14.838 13.628 3.722 1.00 24.32 H new ATOM 0 HD2 PRO A 678 13.591 15.603 1.784 1.00 11.30 H new ATOM 0 HD3 PRO A 678 13.551 13.852 1.732 1.00 11.30 H new ATOM 1427 N TYR A 679 11.398 16.896 5.880 1.00 22.13 N ATOM 1428 CA TYR A 679 10.738 18.180 6.123 1.00 21.14 C ATOM 1429 C TYR A 679 11.458 18.918 7.240 1.00 4.13 C ATOM 1430 O TYR A 679 12.067 19.971 7.028 1.00 74.21 O ATOM 1431 CB TYR A 679 9.285 17.985 6.573 1.00 24.50 C ATOM 1432 CG TYR A 679 8.516 16.945 5.818 1.00 13.25 C ATOM 1433 CD1 TYR A 679 8.529 15.662 6.268 1.00 64.04 C ATOM 1434 CD2 TYR A 679 7.771 17.235 4.684 1.00 42.13 C ATOM 1435 CE1 TYR A 679 7.846 14.687 5.642 1.00 34.20 C ATOM 1436 CE2 TYR A 679 7.064 16.228 4.037 1.00 74.13 C ATOM 1437 CZ TYR A 679 7.111 14.959 4.529 1.00 54.14 C ATOM 1438 OH TYR A 679 6.402 13.941 3.912 1.00 5.11 O ATOM 0 H TYR A 679 11.348 16.232 6.652 1.00 22.13 H new ATOM 0 HA TYR A 679 10.763 18.742 5.189 1.00 21.14 H new ATOM 0 HB2 TYR A 679 9.282 17.720 7.630 1.00 24.50 H new ATOM 0 HB3 TYR A 679 8.763 18.937 6.482 1.00 24.50 H new ATOM 0 HD1 TYR A 679 9.102 15.420 7.151 1.00 64.04 H new ATOM 0 HD2 TYR A 679 7.740 18.245 4.303 1.00 42.13 H new ATOM 0 HE1 TYR A 679 7.881 13.678 6.026 1.00 34.20 H new ATOM 0 HE2 TYR A 679 6.484 16.450 3.154 1.00 74.13 H new ATOM 0 HH TYR A 679 5.928 14.298 3.132 1.00 5.11 H new ATOM 1448 N ASN A 680 11.401 18.338 8.425 1.00 72.01 N ATOM 1449 CA ASN A 680 11.945 18.945 9.625 1.00 24.44 C ATOM 1450 C ASN A 680 13.204 18.225 10.077 1.00 20.33 C ATOM 1451 O ASN A 680 13.759 17.398 9.324 1.00 40.40 O ATOM 1452 CB ASN A 680 10.895 18.946 10.751 1.00 31.55 C ATOM 1453 CG ASN A 680 9.658 19.761 10.420 1.00 2.12 C ATOM 1454 OD1 ASN A 680 9.719 20.742 9.686 1.00 44.31 O ATOM 1455 ND2 ASN A 680 8.534 19.367 10.961 1.00 33.32 N ATOM 0 H ASN A 680 10.973 17.426 8.582 1.00 72.01 H new ATOM 0 HA ASN A 680 12.209 19.976 9.392 1.00 24.44 H new ATOM 0 HB2 ASN A 680 10.598 17.919 10.962 1.00 31.55 H new ATOM 0 HB3 ASN A 680 11.348 19.340 11.660 1.00 31.55 H new ATOM 0 HD21 ASN A 680 7.672 19.880 10.777 1.00 33.32 H new ATOM 0 HD22 ASN A 680 8.520 18.546 11.567 1.00 33.32 H new ATOM 1461 N ASN A 681 13.638 18.535 11.319 1.00 22.03 N ATOM 1462 CA ASN A 681 14.895 18.047 11.925 1.00 34.24 C ATOM 1463 C ASN A 681 16.062 18.855 11.373 1.00 44.11 C ATOM 1464 O ASN A 681 16.087 19.188 10.196 1.00 3.11 O ATOM 1465 CB ASN A 681 15.072 16.483 11.776 1.00 44.14 C ATOM 1466 CG ASN A 681 16.364 15.880 12.377 1.00 2.33 C ATOM 1467 OD1 ASN A 681 17.424 16.486 12.385 1.00 42.20 O ATOM 1468 ND2 ASN A 681 16.260 14.679 12.895 1.00 72.00 N ATOM 0 H ASN A 681 13.110 19.146 11.942 1.00 22.03 H new ATOM 0 HA ASN A 681 14.860 18.207 13.003 1.00 34.24 H new ATOM 0 HB2 ASN A 681 14.217 15.996 12.244 1.00 44.14 H new ATOM 0 HB3 ASN A 681 15.039 16.234 10.715 1.00 44.14 H new ATOM 0 HD21 ASN A 681 17.075 14.233 13.316 1.00 72.00 H new ATOM 0 HD22 ASN A 681 15.364 14.192 12.877 1.00 72.00 H new ATOM 1474 N GLU A 682 17.002 19.195 12.234 1.00 54.11 N ATOM 1475 CA GLU A 682 18.151 20.024 11.879 1.00 71.43 C ATOM 1476 C GLU A 682 18.974 19.375 10.754 1.00 1.00 C ATOM 1477 O GLU A 682 19.439 20.055 9.828 1.00 60.10 O ATOM 1478 CB GLU A 682 19.007 20.245 13.119 1.00 31.54 C ATOM 1479 CG GLU A 682 20.152 21.215 12.943 1.00 61.42 C ATOM 1480 CD GLU A 682 20.896 21.427 14.228 1.00 13.15 C ATOM 1481 OE1 GLU A 682 20.360 22.115 15.127 1.00 1.43 O ATOM 1482 OE2 GLU A 682 22.021 20.917 14.369 1.00 62.22 O ATOM 0 H GLU A 682 16.994 18.903 13.211 1.00 54.11 H new ATOM 0 HA GLU A 682 17.797 20.986 11.508 1.00 71.43 H new ATOM 0 HB2 GLU A 682 18.367 20.605 13.924 1.00 31.54 H new ATOM 0 HB3 GLU A 682 19.411 19.284 13.439 1.00 31.54 H new ATOM 0 HG2 GLU A 682 20.836 20.837 12.183 1.00 61.42 H new ATOM 0 HG3 GLU A 682 19.769 22.169 12.581 1.00 61.42 H new ATOM 1489 N LYS A 683 19.128 18.071 10.826 1.00 23.12 N ATOM 1490 CA LYS A 683 19.848 17.323 9.804 1.00 60.20 C ATOM 1491 C LYS A 683 18.906 16.998 8.643 1.00 71.44 C ATOM 1492 O LYS A 683 19.352 16.680 7.532 1.00 14.14 O ATOM 1493 CB LYS A 683 20.437 16.030 10.411 1.00 70.11 C ATOM 1494 CG LYS A 683 21.233 15.141 9.441 1.00 32.32 C ATOM 1495 CD LYS A 683 22.424 15.874 8.815 1.00 52.03 C ATOM 1496 CE LYS A 683 23.425 16.344 9.860 1.00 35.43 C ATOM 1497 NZ LYS A 683 24.568 17.060 9.252 1.00 23.04 N ATOM 0 H LYS A 683 18.763 17.498 11.586 1.00 23.12 H new ATOM 0 HA LYS A 683 20.671 17.928 9.425 1.00 60.20 H new ATOM 0 HB2 LYS A 683 21.088 16.304 11.241 1.00 70.11 H new ATOM 0 HB3 LYS A 683 19.620 15.441 10.828 1.00 70.11 H new ATOM 0 HG2 LYS A 683 21.592 14.260 9.973 1.00 32.32 H new ATOM 0 HG3 LYS A 683 20.571 14.789 8.650 1.00 32.32 H new ATOM 0 HD2 LYS A 683 22.924 15.213 8.107 1.00 52.03 H new ATOM 0 HD3 LYS A 683 22.063 16.732 8.249 1.00 52.03 H new ATOM 0 HE2 LYS A 683 22.924 17.000 10.572 1.00 35.43 H new ATOM 0 HE3 LYS A 683 23.793 15.485 10.421 1.00 35.43 H new ATOM 0 HZ1 LYS A 683 25.225 17.363 9.999 1.00 23.04 H new ATOM 0 HZ2 LYS A 683 25.062 16.427 8.591 1.00 23.04 H new ATOM 0 HZ3 LYS A 683 24.221 17.895 8.738 1.00 23.04 H new ATOM 1511 N ARG A 684 17.607 17.139 8.914 1.00 42.45 N ATOM 1512 CA ARG A 684 16.523 16.840 7.974 1.00 22.20 C ATOM 1513 C ARG A 684 16.400 15.360 7.726 1.00 4.23 C ATOM 1514 O ARG A 684 17.245 14.741 7.078 1.00 63.55 O ATOM 1515 CB ARG A 684 16.636 17.632 6.672 1.00 41.44 C ATOM 1516 CG ARG A 684 16.487 19.126 6.859 1.00 35.54 C ATOM 1517 CD ARG A 684 16.697 19.851 5.558 1.00 2.45 C ATOM 1518 NE ARG A 684 18.064 19.669 5.051 1.00 71.24 N ATOM 1519 CZ ARG A 684 18.459 19.903 3.803 1.00 14.02 C ATOM 1520 NH1 ARG A 684 17.592 20.340 2.902 1.00 33.24 N ATOM 1521 NH2 ARG A 684 19.728 19.706 3.466 1.00 45.43 N ATOM 0 H ARG A 684 17.270 17.473 9.817 1.00 42.45 H new ATOM 0 HA ARG A 684 15.598 17.169 8.448 1.00 22.20 H new ATOM 0 HB2 ARG A 684 17.603 17.426 6.214 1.00 41.44 H new ATOM 0 HB3 ARG A 684 15.873 17.283 5.976 1.00 41.44 H new ATOM 0 HG2 ARG A 684 15.495 19.351 7.250 1.00 35.54 H new ATOM 0 HG3 ARG A 684 17.208 19.478 7.597 1.00 35.54 H new ATOM 0 HD2 ARG A 684 15.983 19.487 4.819 1.00 2.45 H new ATOM 0 HD3 ARG A 684 16.499 20.914 5.697 1.00 2.45 H new ATOM 0 HE ARG A 684 18.768 19.336 5.710 1.00 71.24 H new ATOM 0 HH11 ARG A 684 16.619 20.498 3.165 1.00 33.24 H new ATOM 0 HH12 ARG A 684 17.897 20.519 1.945 1.00 33.24 H new ATOM 0 HH21 ARG A 684 20.396 19.376 4.163 1.00 45.43 H new ATOM 0 HH22 ARG A 684 20.035 19.884 2.510 1.00 45.43 H new ATOM 1533 N THR A 685 15.349 14.792 8.244 1.00 12.32 N ATOM 1534 CA THR A 685 15.163 13.372 8.166 1.00 52.51 C ATOM 1535 C THR A 685 14.036 13.012 7.177 1.00 23.13 C ATOM 1536 O THR A 685 12.971 13.655 7.162 1.00 41.45 O ATOM 1537 CB THR A 685 14.888 12.758 9.574 1.00 61.13 C ATOM 1538 OG1 THR A 685 14.817 11.328 9.495 1.00 25.33 O ATOM 1539 CG2 THR A 685 13.595 13.292 10.177 1.00 35.25 C ATOM 0 H THR A 685 14.604 15.294 8.727 1.00 12.32 H new ATOM 0 HA THR A 685 16.090 12.939 7.790 1.00 52.51 H new ATOM 0 HB THR A 685 15.717 13.049 10.219 1.00 61.13 H new ATOM 0 HG1 THR A 685 14.646 10.959 10.387 1.00 25.33 H new ATOM 0 HG21 THR A 685 13.437 12.842 11.157 1.00 35.25 H new ATOM 0 HG22 THR A 685 13.662 14.375 10.282 1.00 35.25 H new ATOM 0 HG23 THR A 685 12.759 13.042 9.524 1.00 35.25 H new ATOM 1545 N PRO A 686 14.282 12.021 6.297 1.00 30.10 N ATOM 1546 CA PRO A 686 13.286 11.544 5.338 1.00 71.23 C ATOM 1547 C PRO A 686 12.089 10.873 6.013 1.00 53.14 C ATOM 1548 O PRO A 686 12.239 10.131 7.008 1.00 70.45 O ATOM 1549 CB PRO A 686 14.052 10.502 4.507 1.00 53.10 C ATOM 1550 CG PRO A 686 15.482 10.797 4.744 1.00 71.01 C ATOM 1551 CD PRO A 686 15.558 11.307 6.143 1.00 53.22 C ATOM 0 HA PRO A 686 12.872 12.369 4.757 1.00 71.23 H new ATOM 0 HB2 PRO A 686 13.802 9.488 4.818 1.00 53.10 H new ATOM 0 HB3 PRO A 686 13.803 10.581 3.449 1.00 53.10 H new ATOM 0 HG2 PRO A 686 16.093 9.903 4.619 1.00 71.01 H new ATOM 0 HG3 PRO A 686 15.852 11.538 4.036 1.00 71.01 H new ATOM 0 HD2 PRO A 686 15.658 10.496 6.865 1.00 53.22 H new ATOM 0 HD3 PRO A 686 16.412 11.969 6.287 1.00 53.22 H new ATOM 1559 N ARG A 687 10.913 11.135 5.474 1.00 42.21 N ATOM 1560 CA ARG A 687 9.687 10.547 5.930 1.00 24.14 C ATOM 1561 C ARG A 687 9.721 9.036 5.644 1.00 11.22 C ATOM 1562 O ARG A 687 10.348 8.606 4.674 1.00 21.44 O ATOM 1563 CB ARG A 687 8.534 11.160 5.135 1.00 53.12 C ATOM 1564 CG ARG A 687 7.175 10.680 5.579 1.00 34.34 C ATOM 1565 CD ARG A 687 6.715 11.314 6.871 1.00 32.44 C ATOM 1566 NE ARG A 687 6.063 12.624 6.663 1.00 74.14 N ATOM 1567 CZ ARG A 687 5.771 13.516 7.641 1.00 5.41 C ATOM 1568 NH1 ARG A 687 6.296 13.372 8.841 1.00 43.11 N ATOM 1569 NH2 ARG A 687 5.016 14.586 7.375 1.00 3.11 N ATOM 0 H ARG A 687 10.791 11.777 4.691 1.00 42.21 H new ATOM 0 HA ARG A 687 9.559 10.726 6.998 1.00 24.14 H new ATOM 0 HB2 ARG A 687 8.576 12.245 5.228 1.00 53.12 H new ATOM 0 HB3 ARG A 687 8.666 10.925 4.079 1.00 53.12 H new ATOM 0 HG2 ARG A 687 6.447 10.895 4.797 1.00 34.34 H new ATOM 0 HG3 ARG A 687 7.201 9.597 5.702 1.00 34.34 H new ATOM 0 HD2 ARG A 687 6.019 10.642 7.373 1.00 32.44 H new ATOM 0 HD3 ARG A 687 7.571 11.440 7.534 1.00 32.44 H new ATOM 0 HE ARG A 687 5.813 12.877 5.707 1.00 74.14 H new ATOM 0 HH11 ARG A 687 6.922 12.590 9.033 1.00 43.11 H new ATOM 0 HH12 ARG A 687 6.077 14.043 9.577 1.00 43.11 H new ATOM 0 HH21 ARG A 687 4.656 14.735 6.432 1.00 3.11 H new ATOM 0 HH22 ARG A 687 4.799 15.254 8.115 1.00 3.11 H new ATOM 1581 N ALA A 688 9.069 8.244 6.468 1.00 2.20 N ATOM 1582 CA ALA A 688 8.995 6.828 6.225 1.00 53.45 C ATOM 1583 C ALA A 688 7.553 6.377 6.325 1.00 71.45 C ATOM 1584 O ALA A 688 6.819 6.794 7.223 1.00 14.02 O ATOM 1585 CB ALA A 688 9.872 6.066 7.206 1.00 13.44 C ATOM 0 H ALA A 688 8.585 8.560 7.309 1.00 2.20 H new ATOM 0 HA ALA A 688 9.365 6.617 5.222 1.00 53.45 H new ATOM 0 HB1 ALA A 688 9.801 4.997 7.004 1.00 13.44 H new ATOM 0 HB2 ALA A 688 10.907 6.388 7.094 1.00 13.44 H new ATOM 0 HB3 ALA A 688 9.538 6.266 8.224 1.00 13.44 H new ATOM 1591 N THR A 689 7.150 5.555 5.412 1.00 74.22 N ATOM 1592 CA THR A 689 5.793 5.077 5.379 1.00 20.41 C ATOM 1593 C THR A 689 5.725 3.557 5.443 1.00 10.11 C ATOM 1594 O THR A 689 6.310 2.860 4.602 1.00 31.34 O ATOM 1595 CB THR A 689 5.130 5.573 4.099 1.00 40.44 C ATOM 1596 OG1 THR A 689 5.172 6.989 4.099 1.00 41.20 O ATOM 1597 CG2 THR A 689 3.694 5.091 3.971 1.00 21.13 C ATOM 0 H THR A 689 7.745 5.193 4.667 1.00 74.22 H new ATOM 0 HA THR A 689 5.269 5.462 6.254 1.00 20.41 H new ATOM 0 HB THR A 689 5.673 5.169 3.245 1.00 40.44 H new ATOM 0 HG1 THR A 689 6.010 7.291 3.690 1.00 41.20 H new ATOM 0 HG21 THR A 689 3.264 5.470 3.044 1.00 21.13 H new ATOM 0 HG22 THR A 689 3.676 4.001 3.961 1.00 21.13 H new ATOM 0 HG23 THR A 689 3.111 5.456 4.817 1.00 21.13 H new ATOM 1603 N LEU A 690 5.033 3.042 6.431 1.00 53.45 N ATOM 1604 CA LEU A 690 4.839 1.659 6.547 1.00 32.33 C ATOM 1605 C LEU A 690 3.353 1.358 6.688 1.00 50.43 C ATOM 1606 O LEU A 690 2.678 1.869 7.576 1.00 0.01 O ATOM 1607 CB LEU A 690 5.687 1.093 7.712 1.00 30.22 C ATOM 1608 CG LEU A 690 5.605 -0.419 7.957 1.00 22.44 C ATOM 1609 CD1 LEU A 690 6.783 -0.878 8.773 1.00 43.31 C ATOM 1610 CD2 LEU A 690 4.337 -0.791 8.703 1.00 72.22 C ATOM 0 H LEU A 690 4.596 3.593 7.169 1.00 53.45 H new ATOM 0 HA LEU A 690 5.183 1.157 5.643 1.00 32.33 H new ATOM 0 HB2 LEU A 690 6.730 1.351 7.529 1.00 30.22 H new ATOM 0 HB3 LEU A 690 5.388 1.602 8.628 1.00 30.22 H new ATOM 0 HG LEU A 690 5.604 -0.905 6.981 1.00 22.44 H new ATOM 0 HD11 LEU A 690 6.713 -1.953 8.940 1.00 43.31 H new ATOM 0 HD12 LEU A 690 7.706 -0.653 8.238 1.00 43.31 H new ATOM 0 HD13 LEU A 690 6.784 -0.361 9.733 1.00 43.31 H new ATOM 0 HD21 LEU A 690 4.310 -1.869 8.860 1.00 72.22 H new ATOM 0 HD22 LEU A 690 4.320 -0.283 9.667 1.00 72.22 H new ATOM 0 HD23 LEU A 690 3.469 -0.488 8.118 1.00 72.22 H new ATOM 1618 N ILE A 691 2.853 0.541 5.815 1.00 43.24 N ATOM 1619 CA ILE A 691 1.471 0.155 5.856 1.00 41.44 C ATOM 1620 C ILE A 691 1.378 -1.193 6.551 1.00 64.01 C ATOM 1621 O ILE A 691 2.181 -2.080 6.281 1.00 23.42 O ATOM 1622 CB ILE A 691 0.816 0.017 4.441 1.00 52.12 C ATOM 1623 CG1 ILE A 691 0.844 1.318 3.612 1.00 51.21 C ATOM 1624 CG2 ILE A 691 -0.603 -0.448 4.575 1.00 64.11 C ATOM 1625 CD1 ILE A 691 2.193 1.728 3.084 1.00 74.32 C ATOM 0 H ILE A 691 3.387 0.122 5.054 1.00 43.24 H new ATOM 0 HA ILE A 691 0.933 0.942 6.385 1.00 41.44 H new ATOM 0 HB ILE A 691 1.417 -0.716 3.903 1.00 52.12 H new ATOM 0 HG12 ILE A 691 0.164 1.204 2.768 1.00 51.21 H new ATOM 0 HG13 ILE A 691 0.454 2.128 4.228 1.00 51.21 H new ATOM 0 HG21 ILE A 691 -1.050 -0.541 3.585 1.00 64.11 H new ATOM 0 HG22 ILE A 691 -0.623 -1.416 5.075 1.00 64.11 H new ATOM 0 HG23 ILE A 691 -1.169 0.275 5.162 1.00 64.11 H new ATOM 0 HD11 ILE A 691 2.096 2.654 2.517 1.00 74.32 H new ATOM 0 HD12 ILE A 691 2.878 1.883 3.917 1.00 74.32 H new ATOM 0 HD13 ILE A 691 2.583 0.944 2.434 1.00 74.32 H new ATOM 1632 N THR A 692 0.442 -1.337 7.441 1.00 32.40 N ATOM 1633 CA THR A 692 0.249 -2.569 8.129 1.00 14.01 C ATOM 1634 C THR A 692 -1.051 -3.223 7.612 1.00 20.13 C ATOM 1635 O THR A 692 -2.137 -2.647 7.735 1.00 43.32 O ATOM 1636 CB THR A 692 0.154 -2.287 9.632 1.00 10.11 C ATOM 1637 OG1 THR A 692 1.310 -1.507 9.994 1.00 32.21 O ATOM 1638 CG2 THR A 692 0.168 -3.584 10.431 1.00 40.31 C ATOM 0 H THR A 692 -0.209 -0.598 7.708 1.00 32.40 H new ATOM 0 HA THR A 692 1.083 -3.248 7.952 1.00 14.01 H new ATOM 0 HB THR A 692 -0.776 -1.761 9.850 1.00 10.11 H new ATOM 0 HG1 THR A 692 1.282 -1.306 10.953 1.00 32.21 H new ATOM 0 HG21 THR A 692 0.100 -3.357 11.495 1.00 40.31 H new ATOM 0 HG22 THR A 692 -0.680 -4.202 10.137 1.00 40.31 H new ATOM 0 HG23 THR A 692 1.095 -4.123 10.234 1.00 40.31 H new ATOM 1644 N PHE A 693 -0.917 -4.384 7.006 1.00 72.23 N ATOM 1645 CA PHE A 693 -2.036 -5.116 6.427 1.00 41.51 C ATOM 1646 C PHE A 693 -2.661 -6.052 7.441 1.00 10.02 C ATOM 1647 O PHE A 693 -2.011 -6.983 7.930 1.00 40.20 O ATOM 1648 CB PHE A 693 -1.579 -5.944 5.202 1.00 73.24 C ATOM 1649 CG PHE A 693 -1.222 -5.154 3.956 1.00 35.20 C ATOM 1650 CD1 PHE A 693 -0.365 -4.071 4.002 1.00 22.44 C ATOM 1651 CD2 PHE A 693 -1.779 -5.498 2.737 1.00 0.00 C ATOM 1652 CE1 PHE A 693 -0.069 -3.356 2.860 1.00 60.22 C ATOM 1653 CE2 PHE A 693 -1.484 -4.777 1.589 1.00 13.30 C ATOM 1654 CZ PHE A 693 -0.629 -3.706 1.657 1.00 41.01 C ATOM 0 H PHE A 693 -0.019 -4.856 6.898 1.00 72.23 H new ATOM 0 HA PHE A 693 -2.775 -4.378 6.115 1.00 41.51 H new ATOM 0 HB2 PHE A 693 -0.711 -6.536 5.493 1.00 73.24 H new ATOM 0 HB3 PHE A 693 -2.373 -6.646 4.947 1.00 73.24 H new ATOM 0 HD1 PHE A 693 0.078 -3.781 4.943 1.00 22.44 H new ATOM 0 HD2 PHE A 693 -2.453 -6.340 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 693 0.607 -2.516 2.913 1.00 60.22 H new ATOM 0 HE2 PHE A 693 -1.926 -5.058 0.645 1.00 13.30 H new ATOM 0 HZ PHE A 693 -0.397 -3.140 0.767 1.00 41.01 H new ATOM 1664 N LEU A 694 -3.898 -5.795 7.759 1.00 74.31 N ATOM 1665 CA LEU A 694 -4.664 -6.637 8.645 1.00 20.31 C ATOM 1666 C LEU A 694 -5.758 -7.304 7.848 1.00 54.02 C ATOM 1667 O LEU A 694 -6.142 -6.812 6.787 1.00 55.24 O ATOM 1668 CB LEU A 694 -5.302 -5.851 9.818 1.00 4.31 C ATOM 1669 CG LEU A 694 -4.373 -5.225 10.879 1.00 24.11 C ATOM 1670 CD1 LEU A 694 -3.552 -4.074 10.325 1.00 25.34 C ATOM 1671 CD2 LEU A 694 -5.181 -4.771 12.067 1.00 42.23 C ATOM 0 H LEU A 694 -4.412 -4.987 7.408 1.00 74.31 H new ATOM 0 HA LEU A 694 -3.982 -7.368 9.079 1.00 20.31 H new ATOM 0 HB2 LEU A 694 -5.904 -5.049 9.391 1.00 4.31 H new ATOM 0 HB3 LEU A 694 -5.987 -6.524 10.334 1.00 4.31 H new ATOM 0 HG LEU A 694 -3.668 -5.996 11.190 1.00 24.11 H new ATOM 0 HD11 LEU A 694 -2.916 -3.669 11.112 1.00 25.34 H new ATOM 0 HD12 LEU A 694 -2.931 -4.432 9.504 1.00 25.34 H new ATOM 0 HD13 LEU A 694 -4.220 -3.293 9.961 1.00 25.34 H new ATOM 0 HD21 LEU A 694 -4.518 -4.330 12.811 1.00 42.23 H new ATOM 0 HD22 LEU A 694 -5.912 -4.028 11.747 1.00 42.23 H new ATOM 0 HD23 LEU A 694 -5.699 -5.625 12.503 1.00 42.23 H new ATOM 1679 N CYS A 695 -6.259 -8.400 8.343 1.00 4.30 N ATOM 1680 CA CYS A 695 -7.321 -9.127 7.669 1.00 2.44 C ATOM 1681 C CYS A 695 -8.597 -8.981 8.492 1.00 2.21 C ATOM 1682 O CYS A 695 -9.592 -9.708 8.316 1.00 45.14 O ATOM 1683 CB CYS A 695 -6.919 -10.599 7.523 1.00 13.33 C ATOM 1684 SG CYS A 695 -8.054 -11.619 6.530 1.00 13.12 S ATOM 0 H CYS A 695 -5.952 -8.821 9.220 1.00 4.30 H new ATOM 0 HA CYS A 695 -7.493 -8.726 6.670 1.00 2.44 H new ATOM 0 HB2 CYS A 695 -5.927 -10.645 7.073 1.00 13.33 H new ATOM 0 HB3 CYS A 695 -6.839 -11.037 8.518 1.00 13.33 H new ATOM 1689 N ASP A 696 -8.559 -8.012 9.365 1.00 50.54 N ATOM 1690 CA ASP A 696 -9.645 -7.717 10.270 1.00 41.53 C ATOM 1691 C ASP A 696 -10.659 -6.858 9.553 1.00 33.14 C ATOM 1692 O ASP A 696 -10.312 -5.805 9.053 1.00 34.54 O ATOM 1693 CB ASP A 696 -9.090 -6.986 11.506 1.00 53.11 C ATOM 1694 CG ASP A 696 -10.141 -6.624 12.528 1.00 44.45 C ATOM 1695 OD1 ASP A 696 -10.558 -7.501 13.294 1.00 4.24 O ATOM 1696 OD2 ASP A 696 -10.541 -5.440 12.602 1.00 5.21 O ATOM 0 H ASP A 696 -7.757 -7.390 9.472 1.00 50.54 H new ATOM 0 HA ASP A 696 -10.129 -8.637 10.597 1.00 41.53 H new ATOM 0 HB2 ASP A 696 -8.338 -7.616 11.981 1.00 53.11 H new ATOM 0 HB3 ASP A 696 -8.585 -6.076 11.181 1.00 53.11 H new ATOM 1745 N GLY A 700 -12.970 -5.814 1.113 1.00 4.34 N ATOM 1746 CA GLY A 700 -12.728 -6.259 -0.229 1.00 55.41 C ATOM 1747 C GLY A 700 -11.258 -6.434 -0.497 1.00 64.23 C ATOM 1748 O GLY A 700 -10.592 -7.269 0.140 1.00 20.11 O ATOM 0 HA2 GLY A 700 -13.244 -7.204 -0.399 1.00 55.41 H new ATOM 0 HA3 GLY A 700 -13.144 -5.538 -0.933 1.00 55.41 H new ATOM 1752 N VAL A 701 -10.737 -5.617 -1.384 1.00 42.25 N ATOM 1753 CA VAL A 701 -9.342 -5.681 -1.774 1.00 21.01 C ATOM 1754 C VAL A 701 -8.482 -5.024 -0.700 1.00 50.43 C ATOM 1755 O VAL A 701 -7.305 -5.322 -0.554 1.00 24.44 O ATOM 1756 CB VAL A 701 -9.108 -5.000 -3.157 1.00 33.34 C ATOM 1757 CG1 VAL A 701 -7.676 -5.171 -3.631 1.00 14.00 C ATOM 1758 CG2 VAL A 701 -10.061 -5.554 -4.190 1.00 61.30 C ATOM 0 H VAL A 701 -11.268 -4.886 -1.858 1.00 42.25 H new ATOM 0 HA VAL A 701 -9.057 -6.728 -1.873 1.00 21.01 H new ATOM 0 HB VAL A 701 -9.297 -3.934 -3.030 1.00 33.34 H new ATOM 0 HG11 VAL A 701 -7.552 -4.683 -4.598 1.00 14.00 H new ATOM 0 HG12 VAL A 701 -6.997 -4.720 -2.907 1.00 14.00 H new ATOM 0 HG13 VAL A 701 -7.449 -6.233 -3.729 1.00 14.00 H new ATOM 0 HG21 VAL A 701 -9.882 -5.066 -5.148 1.00 61.30 H new ATOM 0 HG22 VAL A 701 -9.902 -6.627 -4.294 1.00 61.30 H new ATOM 0 HG23 VAL A 701 -11.088 -5.368 -3.874 1.00 61.30 H new ATOM 1764 N GLY A 702 -9.089 -4.182 0.083 1.00 23.02 N ATOM 1765 CA GLY A 702 -8.372 -3.520 1.115 1.00 30.04 C ATOM 1766 C GLY A 702 -8.409 -2.045 0.975 1.00 5.34 C ATOM 1767 O GLY A 702 -8.160 -1.513 -0.109 1.00 5.10 O ATOM 0 H GLY A 702 -10.078 -3.942 0.021 1.00 23.02 H new ATOM 0 HA2 GLY A 702 -8.790 -3.801 2.082 1.00 30.04 H new ATOM 0 HA3 GLY A 702 -7.335 -3.857 1.107 1.00 30.04 H new ATOM 1771 N PHE A 703 -8.772 -1.377 2.032 1.00 52.22 N ATOM 1772 CA PHE A 703 -8.757 0.056 2.044 1.00 64.41 C ATOM 1773 C PHE A 703 -7.789 0.540 3.125 1.00 74.50 C ATOM 1774 O PHE A 703 -7.928 0.161 4.303 1.00 32.24 O ATOM 1775 CB PHE A 703 -10.160 0.641 2.252 1.00 30.12 C ATOM 1776 CG PHE A 703 -10.198 2.136 2.066 1.00 44.04 C ATOM 1777 CD1 PHE A 703 -10.258 2.672 0.789 1.00 51.21 C ATOM 1778 CD2 PHE A 703 -10.158 2.999 3.149 1.00 55.11 C ATOM 1779 CE1 PHE A 703 -10.275 4.035 0.592 1.00 54.33 C ATOM 1780 CE2 PHE A 703 -10.179 4.370 2.958 1.00 32.32 C ATOM 1781 CZ PHE A 703 -10.236 4.885 1.675 1.00 15.44 C ATOM 0 H PHE A 703 -9.084 -1.807 2.903 1.00 52.22 H new ATOM 0 HA PHE A 703 -8.416 0.409 1.071 1.00 64.41 H new ATOM 0 HB2 PHE A 703 -10.852 0.174 1.551 1.00 30.12 H new ATOM 0 HB3 PHE A 703 -10.507 0.394 3.255 1.00 30.12 H new ATOM 0 HD1 PHE A 703 -10.292 2.011 -0.064 1.00 51.21 H new ATOM 0 HD2 PHE A 703 -10.110 2.599 4.151 1.00 55.11 H new ATOM 0 HE1 PHE A 703 -10.319 4.436 -0.410 1.00 54.33 H new ATOM 0 HE2 PHE A 703 -10.151 5.036 3.808 1.00 32.32 H new ATOM 0 HZ PHE A 703 -10.250 5.954 1.523 1.00 15.44 H new ATOM 1791 N PRO A 704 -6.787 1.337 2.752 1.00 72.54 N ATOM 1792 CA PRO A 704 -5.831 1.881 3.701 1.00 34.42 C ATOM 1793 C PRO A 704 -6.364 3.112 4.430 1.00 30.02 C ATOM 1794 O PRO A 704 -7.024 3.960 3.843 1.00 41.20 O ATOM 1795 CB PRO A 704 -4.648 2.268 2.822 1.00 4.32 C ATOM 1796 CG PRO A 704 -5.239 2.583 1.490 1.00 4.23 C ATOM 1797 CD PRO A 704 -6.500 1.761 1.365 1.00 41.50 C ATOM 0 HA PRO A 704 -5.590 1.165 4.487 1.00 34.42 H new ATOM 0 HB2 PRO A 704 -4.118 3.128 3.231 1.00 4.32 H new ATOM 0 HB3 PRO A 704 -3.927 1.454 2.751 1.00 4.32 H new ATOM 0 HG2 PRO A 704 -5.462 3.647 1.408 1.00 4.23 H new ATOM 0 HG3 PRO A 704 -4.539 2.341 0.690 1.00 4.23 H new ATOM 0 HD2 PRO A 704 -7.319 2.347 0.949 1.00 41.50 H new ATOM 0 HD3 PRO A 704 -6.355 0.904 0.707 1.00 41.50 H new ATOM 1805 N GLU A 705 -6.098 3.183 5.702 1.00 24.54 N ATOM 1806 CA GLU A 705 -6.468 4.316 6.502 1.00 52.33 C ATOM 1807 C GLU A 705 -5.246 4.905 7.182 1.00 12.30 C ATOM 1808 O GLU A 705 -4.327 4.182 7.547 1.00 50.44 O ATOM 1809 CB GLU A 705 -7.524 3.930 7.524 1.00 23.43 C ATOM 1810 CG GLU A 705 -8.854 3.529 6.908 1.00 1.40 C ATOM 1811 CD GLU A 705 -9.907 3.275 7.949 1.00 63.14 C ATOM 1812 OE1 GLU A 705 -10.291 4.231 8.655 1.00 64.42 O ATOM 1813 OE2 GLU A 705 -10.403 2.127 8.064 1.00 0.12 O ATOM 0 H GLU A 705 -5.613 2.449 6.219 1.00 24.54 H new ATOM 0 HA GLU A 705 -6.895 5.076 5.848 1.00 52.33 H new ATOM 0 HB2 GLU A 705 -7.149 3.103 8.126 1.00 23.43 H new ATOM 0 HB3 GLU A 705 -7.686 4.769 8.201 1.00 23.43 H new ATOM 0 HG2 GLU A 705 -9.193 4.317 6.235 1.00 1.40 H new ATOM 0 HG3 GLU A 705 -8.717 2.631 6.305 1.00 1.40 H new ATOM 1820 N TYR A 706 -5.234 6.202 7.339 1.00 4.21 N ATOM 1821 CA TYR A 706 -4.100 6.904 7.926 1.00 11.12 C ATOM 1822 C TYR A 706 -4.140 6.879 9.441 1.00 15.10 C ATOM 1823 O TYR A 706 -5.152 7.241 10.051 1.00 14.44 O ATOM 1824 CB TYR A 706 -4.061 8.353 7.403 1.00 34.14 C ATOM 1825 CG TYR A 706 -2.978 9.234 8.005 1.00 32.44 C ATOM 1826 CD1 TYR A 706 -1.642 8.865 7.974 1.00 15.00 C ATOM 1827 CD2 TYR A 706 -3.305 10.444 8.597 1.00 22.53 C ATOM 1828 CE1 TYR A 706 -0.666 9.672 8.516 1.00 25.42 C ATOM 1829 CE2 TYR A 706 -2.337 11.264 9.136 1.00 62.23 C ATOM 1830 CZ TYR A 706 -1.024 10.875 9.097 1.00 64.34 C ATOM 1831 OH TYR A 706 -0.069 11.697 9.629 1.00 64.41 O ATOM 0 H TYR A 706 -6.006 6.811 7.067 1.00 4.21 H new ATOM 0 HA TYR A 706 -3.189 6.387 7.625 1.00 11.12 H new ATOM 0 HB2 TYR A 706 -3.926 8.328 6.322 1.00 34.14 H new ATOM 0 HB3 TYR A 706 -5.029 8.816 7.592 1.00 34.14 H new ATOM 0 HD1 TYR A 706 -1.361 7.928 7.517 1.00 15.00 H new ATOM 0 HD2 TYR A 706 -4.340 10.751 8.637 1.00 22.53 H new ATOM 0 HE1 TYR A 706 0.370 9.368 8.487 1.00 25.42 H new ATOM 0 HE2 TYR A 706 -2.612 12.207 9.586 1.00 62.23 H new ATOM 0 HH TYR A 706 0.732 11.174 9.841 1.00 64.41 H new ATOM 1841 N GLN A 707 -3.053 6.424 10.042 1.00 62.40 N ATOM 1842 CA GLN A 707 -2.910 6.455 11.476 1.00 33.04 C ATOM 1843 C GLN A 707 -1.888 7.518 11.775 1.00 73.21 C ATOM 1844 O GLN A 707 -0.845 7.573 11.112 1.00 61.33 O ATOM 1845 CB GLN A 707 -2.355 5.141 12.031 1.00 4.35 C ATOM 1846 CG GLN A 707 -3.001 3.875 11.523 1.00 43.51 C ATOM 1847 CD GLN A 707 -2.483 2.633 12.238 1.00 34.31 C ATOM 1848 OE1 GLN A 707 -2.419 1.557 11.657 1.00 44.44 O ATOM 1849 NE2 GLN A 707 -2.143 2.762 13.506 1.00 63.04 N ATOM 0 H GLN A 707 -2.254 6.027 9.548 1.00 62.40 H new ATOM 0 HA GLN A 707 -3.887 6.635 11.925 1.00 33.04 H new ATOM 0 HB2 GLN A 707 -1.290 5.096 11.804 1.00 4.35 H new ATOM 0 HB3 GLN A 707 -2.449 5.161 13.117 1.00 4.35 H new ATOM 0 HG2 GLN A 707 -4.081 3.943 11.654 1.00 43.51 H new ATOM 0 HG3 GLN A 707 -2.815 3.779 10.453 1.00 43.51 H new ATOM 0 HE21 GLN A 707 -2.208 3.672 13.961 1.00 63.04 H new ATOM 0 HE22 GLN A 707 -1.815 1.951 14.031 1.00 63.04 H new ATOM 1912 N SER A 712 7.586 10.874 11.920 1.00 22.12 N ATOM 1913 CA SER A 712 7.739 10.761 10.491 1.00 34.13 C ATOM 1914 C SER A 712 7.607 9.332 9.939 1.00 21.14 C ATOM 1915 O SER A 712 7.563 9.149 8.733 1.00 31.32 O ATOM 1916 CB SER A 712 9.020 11.460 10.020 1.00 51.01 C ATOM 1917 OG SER A 712 10.143 11.007 10.747 1.00 3.11 O ATOM 0 HA SER A 712 6.886 11.285 10.060 1.00 34.13 H new ATOM 0 HB2 SER A 712 9.171 11.272 8.957 1.00 51.01 H new ATOM 0 HB3 SER A 712 8.915 12.538 10.141 1.00 51.01 H new ATOM 0 HG SER A 712 9.865 10.745 11.649 1.00 3.11 H new ATOM 1923 N THR A 713 7.558 8.339 10.788 1.00 23.24 N ATOM 1924 CA THR A 713 7.335 6.986 10.311 1.00 21.04 C ATOM 1925 C THR A 713 5.886 6.586 10.585 1.00 50.34 C ATOM 1926 O THR A 713 5.546 6.144 11.681 1.00 4.33 O ATOM 1927 CB THR A 713 8.315 5.969 10.949 1.00 53.12 C ATOM 1928 OG1 THR A 713 9.669 6.399 10.717 1.00 63.32 O ATOM 1929 CG2 THR A 713 8.125 4.577 10.350 1.00 41.15 C ATOM 0 H THR A 713 7.667 8.431 11.798 1.00 23.24 H new ATOM 0 HA THR A 713 7.525 6.970 9.238 1.00 21.04 H new ATOM 0 HB THR A 713 8.111 5.921 12.019 1.00 53.12 H new ATOM 0 HG1 THR A 713 10.290 5.758 11.121 1.00 63.32 H new ATOM 0 HG21 THR A 713 8.825 3.882 10.815 1.00 41.15 H new ATOM 0 HG22 THR A 713 7.104 4.239 10.531 1.00 41.15 H new ATOM 0 HG23 THR A 713 8.310 4.614 9.276 1.00 41.15 H new ATOM 1935 N TYR A 714 5.050 6.767 9.599 1.00 0.00 N ATOM 1936 CA TYR A 714 3.633 6.543 9.760 1.00 20.24 C ATOM 1937 C TYR A 714 3.235 5.133 9.500 1.00 4.03 C ATOM 1938 O TYR A 714 3.915 4.390 8.777 1.00 52.54 O ATOM 1939 CB TYR A 714 2.828 7.448 8.855 1.00 43.54 C ATOM 1940 CG TYR A 714 3.006 8.893 9.152 1.00 43.33 C ATOM 1941 CD1 TYR A 714 2.446 9.457 10.285 1.00 2.43 C ATOM 1942 CD2 TYR A 714 3.724 9.695 8.309 1.00 13.24 C ATOM 1943 CE1 TYR A 714 2.605 10.792 10.565 1.00 65.24 C ATOM 1944 CE2 TYR A 714 3.885 11.025 8.575 1.00 73.13 C ATOM 1945 CZ TYR A 714 3.325 11.574 9.705 1.00 54.30 C ATOM 1946 OH TYR A 714 3.485 12.915 9.968 1.00 62.13 O ATOM 0 H TYR A 714 5.326 7.072 8.666 1.00 0.00 H new ATOM 0 HA TYR A 714 3.419 6.772 10.804 1.00 20.24 H new ATOM 0 HB2 TYR A 714 3.113 7.260 7.820 1.00 43.54 H new ATOM 0 HB3 TYR A 714 1.772 7.194 8.946 1.00 43.54 H new ATOM 0 HD1 TYR A 714 1.875 8.837 10.960 1.00 2.43 H new ATOM 0 HD2 TYR A 714 4.170 9.271 7.421 1.00 13.24 H new ATOM 0 HE1 TYR A 714 2.166 11.219 11.455 1.00 65.24 H new ATOM 0 HE2 TYR A 714 4.452 11.646 7.898 1.00 73.13 H new ATOM 0 HH TYR A 714 3.474 13.062 10.937 1.00 62.13 H new ATOM 1956 N ASN A 715 2.128 4.773 10.084 1.00 1.05 N ATOM 1957 CA ASN A 715 1.527 3.501 9.886 1.00 1.44 C ATOM 1958 C ASN A 715 0.200 3.696 9.265 1.00 43.41 C ATOM 1959 O ASN A 715 -0.518 4.635 9.590 1.00 12.44 O ATOM 1960 CB ASN A 715 1.379 2.696 11.187 1.00 23.11 C ATOM 1961 CG ASN A 715 2.698 2.314 11.827 1.00 41.53 C ATOM 1962 OD1 ASN A 715 3.243 3.039 12.663 1.00 60.44 O ATOM 1963 ND2 ASN A 715 3.219 1.174 11.457 1.00 62.04 N ATOM 0 H ASN A 715 1.612 5.376 10.725 1.00 1.05 H new ATOM 0 HA ASN A 715 2.183 2.922 9.236 1.00 1.44 H new ATOM 0 HB2 ASN A 715 0.796 3.280 11.900 1.00 23.11 H new ATOM 0 HB3 ASN A 715 0.811 1.789 10.979 1.00 23.11 H new ATOM 0 HD21 ASN A 715 4.101 0.861 11.862 1.00 62.04 H new ATOM 0 HD22 ASN A 715 2.743 0.597 10.763 1.00 62.04 H new ATOM 1969 N PHE A 716 -0.108 2.870 8.342 1.00 21.31 N ATOM 1970 CA PHE A 716 -1.389 2.887 7.738 1.00 71.12 C ATOM 1971 C PHE A 716 -2.126 1.636 8.073 1.00 23.14 C ATOM 1972 O PHE A 716 -1.559 0.536 8.052 1.00 55.42 O ATOM 1973 CB PHE A 716 -1.316 3.139 6.239 1.00 50.32 C ATOM 1974 CG PHE A 716 -0.929 4.554 5.888 1.00 12.10 C ATOM 1975 CD1 PHE A 716 0.397 4.963 5.887 1.00 33.23 C ATOM 1976 CD2 PHE A 716 -1.905 5.481 5.559 1.00 62.33 C ATOM 1977 CE1 PHE A 716 0.734 6.266 5.564 1.00 2.53 C ATOM 1978 CE2 PHE A 716 -1.571 6.779 5.235 1.00 43.31 C ATOM 1979 CZ PHE A 716 -0.250 7.171 5.237 1.00 73.22 C ATOM 0 H PHE A 716 0.523 2.156 7.979 1.00 21.31 H new ATOM 0 HA PHE A 716 -1.950 3.727 8.147 1.00 71.12 H new ATOM 0 HB2 PHE A 716 -0.594 2.452 5.797 1.00 50.32 H new ATOM 0 HB3 PHE A 716 -2.284 2.914 5.792 1.00 50.32 H new ATOM 0 HD1 PHE A 716 1.174 4.257 6.141 1.00 33.23 H new ATOM 0 HD2 PHE A 716 -2.943 5.182 5.556 1.00 62.33 H new ATOM 0 HE1 PHE A 716 1.770 6.573 5.569 1.00 2.53 H new ATOM 0 HE2 PHE A 716 -2.345 7.488 4.980 1.00 43.31 H new ATOM 0 HZ PHE A 716 0.013 8.187 4.982 1.00 73.22 H new ATOM 1989 N ARG A 717 -3.366 1.807 8.389 1.00 30.04 N ATOM 1990 CA ARG A 717 -4.214 0.752 8.830 1.00 63.21 C ATOM 1991 C ARG A 717 -4.947 0.231 7.605 1.00 23.11 C ATOM 1992 O ARG A 717 -5.926 0.812 7.161 1.00 41.12 O ATOM 1993 CB ARG A 717 -5.208 1.337 9.845 1.00 3.30 C ATOM 1994 CG ARG A 717 -5.977 0.345 10.692 1.00 73.24 C ATOM 1995 CD ARG A 717 -5.068 -0.381 11.681 1.00 70.04 C ATOM 1996 NE ARG A 717 -5.844 -1.217 12.607 1.00 61.41 N ATOM 1997 CZ ARG A 717 -5.397 -1.742 13.762 1.00 40.01 C ATOM 1998 NH1 ARG A 717 -4.152 -1.527 14.177 1.00 22.34 N ATOM 1999 NH2 ARG A 717 -6.210 -2.481 14.497 1.00 55.01 N ATOM 0 H ARG A 717 -3.831 2.714 8.346 1.00 30.04 H new ATOM 0 HA ARG A 717 -3.659 -0.058 9.303 1.00 63.21 H new ATOM 0 HB2 ARG A 717 -4.661 2.002 10.513 1.00 3.30 H new ATOM 0 HB3 ARG A 717 -5.927 1.951 9.302 1.00 3.30 H new ATOM 0 HG2 ARG A 717 -6.764 0.866 11.237 1.00 73.24 H new ATOM 0 HG3 ARG A 717 -6.465 -0.384 10.045 1.00 73.24 H new ATOM 0 HD2 ARG A 717 -4.357 -1.002 11.136 1.00 70.04 H new ATOM 0 HD3 ARG A 717 -4.487 0.348 12.246 1.00 70.04 H new ATOM 0 HE ARG A 717 -6.811 -1.418 12.350 1.00 61.41 H new ATOM 0 HH11 ARG A 717 -3.519 -0.956 13.617 1.00 22.34 H new ATOM 0 HH12 ARG A 717 -3.830 -1.933 15.056 1.00 22.34 H new ATOM 0 HH21 ARG A 717 -7.167 -2.649 14.187 1.00 55.01 H new ATOM 0 HH22 ARG A 717 -5.880 -2.883 15.374 1.00 55.01 H new ATOM 2011 N TRP A 718 -4.420 -0.796 7.024 1.00 51.23 N ATOM 2012 CA TRP A 718 -4.957 -1.351 5.806 1.00 75.35 C ATOM 2013 C TRP A 718 -5.690 -2.633 6.146 1.00 44.31 C ATOM 2014 O TRP A 718 -5.083 -3.607 6.584 1.00 73.14 O ATOM 2015 CB TRP A 718 -3.779 -1.630 4.841 1.00 23.55 C ATOM 2016 CG TRP A 718 -4.117 -2.072 3.425 1.00 30.33 C ATOM 2017 CD1 TRP A 718 -4.889 -3.129 3.044 1.00 44.21 C ATOM 2018 CD2 TRP A 718 -3.610 -1.491 2.197 1.00 62.21 C ATOM 2019 NE1 TRP A 718 -4.924 -3.224 1.673 1.00 61.42 N ATOM 2020 CE2 TRP A 718 -4.144 -2.240 1.136 1.00 1.34 C ATOM 2021 CE3 TRP A 718 -2.762 -0.405 1.891 1.00 35.04 C ATOM 2022 CZ2 TRP A 718 -3.866 -1.949 -0.192 1.00 73.13 C ATOM 2023 CZ3 TRP A 718 -2.494 -0.129 0.569 1.00 24.25 C ATOM 2024 CH2 TRP A 718 -3.041 -0.897 -0.452 1.00 50.53 C ATOM 0 H TRP A 718 -3.597 -1.284 7.377 1.00 51.23 H new ATOM 0 HA TRP A 718 -5.654 -0.663 5.328 1.00 75.35 H new ATOM 0 HB2 TRP A 718 -3.177 -0.724 4.775 1.00 23.55 H new ATOM 0 HB3 TRP A 718 -3.151 -2.398 5.292 1.00 23.55 H new ATOM 0 HD1 TRP A 718 -5.400 -3.796 3.722 1.00 44.21 H new ATOM 0 HE1 TRP A 718 -5.449 -3.919 1.142 1.00 61.42 H new ATOM 0 HE3 TRP A 718 -2.332 0.197 2.678 1.00 35.04 H new ATOM 0 HZ2 TRP A 718 -4.290 -2.537 -0.993 1.00 73.13 H new ATOM 0 HZ3 TRP A 718 -1.847 0.699 0.321 1.00 24.25 H new ATOM 0 HH2 TRP A 718 -2.806 -0.653 -1.478 1.00 50.53 H new ATOM 2035 N TYR A 719 -6.979 -2.622 5.977 1.00 42.11 N ATOM 2036 CA TYR A 719 -7.773 -3.802 6.220 1.00 61.43 C ATOM 2037 C TYR A 719 -8.082 -4.464 4.911 1.00 63.15 C ATOM 2038 O TYR A 719 -8.746 -3.877 4.062 1.00 1.54 O ATOM 2039 CB TYR A 719 -9.075 -3.475 6.940 1.00 51.42 C ATOM 2040 CG TYR A 719 -8.911 -2.896 8.323 1.00 23.34 C ATOM 2041 CD1 TYR A 719 -8.397 -3.660 9.353 1.00 34.02 C ATOM 2042 CD2 TYR A 719 -9.285 -1.598 8.601 1.00 24.34 C ATOM 2043 CE1 TYR A 719 -8.261 -3.150 10.616 1.00 14.12 C ATOM 2044 CE2 TYR A 719 -9.156 -1.079 9.867 1.00 30.23 C ATOM 2045 CZ TYR A 719 -8.645 -1.862 10.868 1.00 2.21 C ATOM 2046 OH TYR A 719 -8.511 -1.353 12.134 1.00 11.20 O ATOM 0 H TYR A 719 -7.510 -1.807 5.670 1.00 42.11 H new ATOM 0 HA TYR A 719 -7.197 -4.469 6.862 1.00 61.43 H new ATOM 0 HB2 TYR A 719 -9.641 -2.770 6.332 1.00 51.42 H new ATOM 0 HB3 TYR A 719 -9.671 -4.385 7.012 1.00 51.42 H new ATOM 0 HD1 TYR A 719 -8.097 -4.679 9.158 1.00 34.02 H new ATOM 0 HD2 TYR A 719 -9.686 -0.980 7.811 1.00 24.34 H new ATOM 0 HE1 TYR A 719 -7.853 -3.761 11.408 1.00 14.12 H new ATOM 0 HE2 TYR A 719 -9.455 -0.062 10.071 1.00 30.23 H new ATOM 0 HH TYR A 719 -8.827 -0.425 12.149 1.00 11.20 H new ATOM 2056 N THR A 720 -7.578 -5.646 4.722 1.00 23.15 N ATOM 2057 CA THR A 720 -7.810 -6.362 3.512 1.00 73.34 C ATOM 2058 C THR A 720 -8.173 -7.809 3.778 1.00 3.10 C ATOM 2059 O THR A 720 -7.618 -8.451 4.669 1.00 5.33 O ATOM 2060 CB THR A 720 -6.615 -6.265 2.527 1.00 32.44 C ATOM 2061 OG1 THR A 720 -6.874 -7.053 1.364 1.00 11.41 O ATOM 2062 CG2 THR A 720 -5.325 -6.723 3.163 1.00 12.10 C ATOM 0 H THR A 720 -6.997 -6.137 5.402 1.00 23.15 H new ATOM 0 HA THR A 720 -8.663 -5.882 3.032 1.00 73.34 H new ATOM 0 HB THR A 720 -6.504 -5.216 2.250 1.00 32.44 H new ATOM 0 HG1 THR A 720 -6.763 -6.500 0.563 1.00 11.41 H new ATOM 0 HG21 THR A 720 -4.513 -6.639 2.440 1.00 12.10 H new ATOM 0 HG22 THR A 720 -5.105 -6.099 4.030 1.00 12.10 H new ATOM 0 HG23 THR A 720 -5.424 -7.761 3.479 1.00 12.10 H new ATOM 2068 N SER A 721 -9.098 -8.317 2.996 1.00 44.00 N ATOM 2069 CA SER A 721 -9.523 -9.686 3.106 1.00 11.35 C ATOM 2070 C SER A 721 -8.389 -10.592 2.578 1.00 20.23 C ATOM 2071 O SER A 721 -8.234 -11.748 2.995 1.00 61.23 O ATOM 2072 CB SER A 721 -10.818 -9.876 2.306 1.00 5.12 C ATOM 2073 OG SER A 721 -11.421 -11.138 2.540 1.00 54.30 O ATOM 0 H SER A 721 -9.575 -7.788 2.266 1.00 44.00 H new ATOM 0 HA SER A 721 -9.728 -9.953 4.143 1.00 11.35 H new ATOM 0 HB2 SER A 721 -11.522 -9.086 2.568 1.00 5.12 H new ATOM 0 HB3 SER A 721 -10.603 -9.771 1.243 1.00 5.12 H new ATOM 0 HG SER A 721 -12.242 -11.211 2.010 1.00 54.30 H new ATOM 2079 N TYR A 722 -7.566 -10.014 1.691 1.00 74.34 N ATOM 2080 CA TYR A 722 -6.437 -10.706 1.075 1.00 5.42 C ATOM 2081 C TYR A 722 -5.321 -10.997 2.065 1.00 53.43 C ATOM 2082 O TYR A 722 -4.420 -11.757 1.757 1.00 65.14 O ATOM 2083 CB TYR A 722 -5.883 -9.915 -0.122 1.00 1.01 C ATOM 2084 CG TYR A 722 -6.773 -9.909 -1.346 1.00 1.24 C ATOM 2085 CD1 TYR A 722 -7.822 -9.011 -1.486 1.00 3.11 C ATOM 2086 CD2 TYR A 722 -6.561 -10.822 -2.362 1.00 74.11 C ATOM 2087 CE1 TYR A 722 -8.633 -9.040 -2.613 1.00 21.42 C ATOM 2088 CE2 TYR A 722 -7.356 -10.852 -3.482 1.00 11.31 C ATOM 2089 CZ TYR A 722 -8.388 -9.965 -3.603 1.00 63.11 C ATOM 2090 OH TYR A 722 -9.189 -10.004 -4.720 1.00 34.11 O ATOM 0 H TYR A 722 -7.670 -9.047 1.383 1.00 74.34 H new ATOM 0 HA TYR A 722 -6.823 -11.662 0.721 1.00 5.42 H new ATOM 0 HB2 TYR A 722 -5.711 -8.885 0.190 1.00 1.01 H new ATOM 0 HB3 TYR A 722 -4.914 -10.331 -0.397 1.00 1.01 H new ATOM 0 HD1 TYR A 722 -8.009 -8.283 -0.711 1.00 3.11 H new ATOM 0 HD2 TYR A 722 -5.750 -11.530 -2.273 1.00 74.11 H new ATOM 0 HE1 TYR A 722 -9.451 -8.341 -2.712 1.00 21.42 H new ATOM 0 HE2 TYR A 722 -7.166 -11.573 -4.263 1.00 11.31 H new ATOM 0 HH TYR A 722 -8.879 -10.714 -5.320 1.00 34.11 H new ATOM 2100 N ALA A 723 -5.390 -10.402 3.261 1.00 33.03 N ATOM 2101 CA ALA A 723 -4.348 -10.604 4.276 1.00 34.24 C ATOM 2102 C ALA A 723 -4.482 -11.967 4.972 1.00 61.24 C ATOM 2103 O ALA A 723 -3.654 -12.330 5.810 1.00 51.01 O ATOM 2104 CB ALA A 723 -4.321 -9.466 5.279 1.00 23.52 C ATOM 0 H ALA A 723 -6.148 -9.783 3.549 1.00 33.03 H new ATOM 0 HA ALA A 723 -3.390 -10.605 3.756 1.00 34.24 H new ATOM 0 HB1 ALA A 723 -3.538 -9.648 6.015 1.00 23.52 H new ATOM 0 HB2 ALA A 723 -4.120 -8.529 4.760 1.00 23.52 H new ATOM 0 HB3 ALA A 723 -5.285 -9.402 5.783 1.00 23.52 H new ATOM 2110 N CYS A 724 -5.510 -12.704 4.624 1.00 73.20 N ATOM 2111 CA CYS A 724 -5.663 -14.062 5.091 1.00 23.44 C ATOM 2112 C CYS A 724 -5.338 -14.979 3.928 1.00 62.50 C ATOM 2113 O CYS A 724 -5.907 -14.819 2.844 1.00 20.33 O ATOM 2114 CB CYS A 724 -7.094 -14.350 5.590 1.00 12.22 C ATOM 2115 SG CYS A 724 -7.586 -13.486 7.121 1.00 73.42 S ATOM 0 H CYS A 724 -6.260 -12.382 4.013 1.00 73.20 H new ATOM 0 HA CYS A 724 -4.994 -14.226 5.936 1.00 23.44 H new ATOM 0 HB2 CYS A 724 -7.796 -14.080 4.801 1.00 12.22 H new ATOM 0 HB3 CYS A 724 -7.194 -15.423 5.752 1.00 12.22 H new ATOM 2120 N PRO A 725 -4.407 -15.923 4.105 1.00 4.54 N ATOM 2121 CA PRO A 725 -3.990 -16.821 3.032 1.00 23.32 C ATOM 2122 C PRO A 725 -5.011 -17.940 2.785 1.00 54.44 C ATOM 2123 O PRO A 725 -5.932 -17.749 1.946 1.00 36.96 O ATOM 2124 CB PRO A 725 -2.655 -17.379 3.542 1.00 63.13 C ATOM 2125 CG PRO A 725 -2.758 -17.335 5.031 1.00 73.05 C ATOM 2126 CD PRO A 725 -3.685 -16.194 5.372 1.00 52.10 C ATOM 2127 OXT PRO A 725 -4.926 -18.996 3.435 1.00 36.96 O ATOM 0 HA PRO A 725 -3.904 -16.314 2.071 1.00 23.32 H new ATOM 0 HB2 PRO A 725 -2.492 -18.397 3.188 1.00 63.13 H new ATOM 0 HB3 PRO A 725 -1.816 -16.780 3.187 1.00 63.13 H new ATOM 0 HG2 PRO A 725 -3.146 -18.277 5.419 1.00 73.05 H new ATOM 0 HG3 PRO A 725 -1.777 -17.184 5.482 1.00 73.05 H new ATOM 0 HD2 PRO A 725 -4.373 -16.465 6.173 1.00 52.10 H new ATOM 0 HD3 PRO A 725 -3.131 -15.318 5.710 1.00 52.10 H new