USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 880 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 592 HIS : no HD1:sc= 0.279 K(o=0.55,f=0) USER MOD Set 1.2: A 640 TYR OH : rot -96:sc= 0.272 USER MOD Single : A 589 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0192) USER MOD Single : A 594 HIS :FLIP no HD1:sc= 0.146 F(o=-1.4,f=0.15) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.0219 USER MOD Single : A 597 GLN : amide:sc= 0.679 K(o=0.68,f=-8.1!) USER MOD Single : A 601 SER OG : rot 15:sc= -0.309 USER MOD Single : A 602 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=-0.0036) USER MOD Single : A 605 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.27) USER MOD Single : A 614 THR OG1 : rot 43:sc= 0.31 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl -166:sc= -0.718 (180deg=-0.964) USER MOD Single : A 627 ASN :FLIP amide:sc= -0.0185 F(o=-1.7!,f=-0.019) USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 633 LYS NZ :NH3+ 164:sc= -0.0918 (180deg=-0.369) USER MOD Single : A 634 LYS NZ :NH3+ -166:sc= -0.0394 (180deg=-0.263) USER MOD Single : A 639 MET CE :methyl 158:sc= -0.301 (180deg=-1.73) USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 644 ASN : amide:sc= 0.708 K(o=0.71,f=-0.14) USER MOD Single : A 645 SER OG : rot 0:sc= 0.492 USER MOD Single : A 649 TYR OH : rot 100:sc= -0.25 USER MOD Single : A 650 TYR OH : rot -15:sc= -0.0939 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 656 LYS NZ :NH3+ 169:sc= -0.963 (180deg=-1.6) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 171:sc= -0.0031 (180deg=-0.0832) USER MOD Single : A 661 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 662 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 667 LYS NZ :NH3+ -165:sc= -1.29! (180deg=-2.52!) USER MOD Single : A 670 SER OG : rot -42:sc= 0.335 USER MOD Single : B 843 ASN :FLIP amide:sc= -0.0654 F(o=-1.6!,f=-0.065) USER MOD Single : B 847 SER OG : rot -48:sc= 1.14 USER MOD Single : B 850 MET CE :methyl 155:sc= -1.92 (180deg=-3.86!) USER MOD Single : B 855 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 856 ASN : amide:sc= -0.23 K(o=-0.23,f=-4.9!) USER MOD Single : B 857 THR OG1 : rot -25:sc= 0.259 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 32.686 10.451 -2.169 1.00 0.00 N ATOM 2 CA GLY A 586 33.197 10.340 -0.824 1.00 0.00 C ATOM 3 C GLY A 586 33.340 8.892 -0.420 1.00 0.00 C ATOM 4 O GLY A 586 34.124 8.151 -1.016 1.00 0.00 O ATOM 0 HA2 GLY A 586 34.164 10.838 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 586 32.526 10.850 -0.133 1.00 0.00 H new ATOM 8 N VAL A 587 32.575 8.470 0.574 1.00 0.00 N ATOM 9 CA VAL A 587 32.538 7.064 0.936 1.00 0.00 C ATOM 10 C VAL A 587 31.629 6.313 -0.033 1.00 0.00 C ATOM 11 O VAL A 587 30.743 6.909 -0.651 1.00 0.00 O ATOM 12 CB VAL A 587 32.065 6.843 2.391 1.00 0.00 C ATOM 13 CG1 VAL A 587 33.021 7.504 3.368 1.00 0.00 C ATOM 14 CG2 VAL A 587 30.652 7.361 2.595 1.00 0.00 C ATOM 0 H VAL A 587 31.978 9.074 1.139 1.00 0.00 H new ATOM 0 HA VAL A 587 33.555 6.677 0.870 1.00 0.00 H new ATOM 0 HB VAL A 587 32.059 5.770 2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 587 32.672 7.338 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 587 34.016 7.074 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 587 33.062 8.575 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 587 30.348 7.191 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 587 30.621 8.429 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 587 29.971 6.835 1.925 1.00 0.00 H new ATOM 24 N ARG A 588 31.851 5.016 -0.164 1.00 0.00 N ATOM 25 CA ARG A 588 31.160 4.211 -1.174 1.00 0.00 C ATOM 26 C ARG A 588 29.873 3.610 -0.612 1.00 0.00 C ATOM 27 O ARG A 588 29.296 2.702 -1.210 1.00 0.00 O ATOM 28 CB ARG A 588 32.099 3.102 -1.700 1.00 0.00 C ATOM 29 CG ARG A 588 32.412 2.009 -0.680 1.00 0.00 C ATOM 30 CD ARG A 588 31.474 0.823 -0.822 1.00 0.00 C ATOM 31 NE ARG A 588 31.502 -0.046 0.348 1.00 0.00 N ATOM 32 CZ ARG A 588 30.482 -0.815 0.717 1.00 0.00 C ATOM 33 NH1 ARG A 588 29.377 -0.854 -0.020 1.00 0.00 N ATOM 34 NH2 ARG A 588 30.567 -1.545 1.820 1.00 0.00 N ATOM 0 H ARG A 588 32.506 4.491 0.416 1.00 0.00 H new ATOM 0 HA ARG A 588 30.886 4.861 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 588 31.645 2.644 -2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 588 33.034 3.558 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 588 33.442 1.676 -0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 588 32.332 2.418 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 588 30.457 1.183 -0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 588 31.750 0.248 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 588 32.350 -0.065 0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 588 29.311 -0.294 -0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 588 28.595 -1.444 0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 588 31.415 -1.517 2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 588 29.784 -2.135 2.103 1.00 0.00 H new ATOM 48 N LYS A 589 29.447 4.134 0.539 1.00 0.00 N ATOM 49 CA LYS A 589 28.238 3.671 1.239 1.00 0.00 C ATOM 50 C LYS A 589 27.117 3.311 0.253 1.00 0.00 C ATOM 51 O LYS A 589 26.737 4.108 -0.609 1.00 0.00 O ATOM 52 CB LYS A 589 27.747 4.746 2.251 1.00 0.00 C ATOM 53 CG LYS A 589 26.865 5.847 1.656 1.00 0.00 C ATOM 54 CD LYS A 589 27.630 6.763 0.708 1.00 0.00 C ATOM 55 CE LYS A 589 26.698 7.695 -0.051 1.00 0.00 C ATOM 56 NZ LYS A 589 25.937 8.590 0.860 1.00 0.00 N ATOM 0 H LYS A 589 29.930 4.895 1.017 1.00 0.00 H new ATOM 0 HA LYS A 589 28.501 2.766 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 589 27.192 4.247 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 589 28.618 5.211 2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 589 26.032 5.391 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 589 26.438 6.441 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 589 28.351 7.352 1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 589 28.198 6.160 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 589 27.279 8.298 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 589 26.000 7.104 -0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 25.366 9.253 0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 25.311 8.020 1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 26.601 9.124 1.456 1.00 0.00 H new ATOM 70 N GLY A 590 26.628 2.086 0.348 1.00 0.00 N ATOM 71 CA GLY A 590 25.585 1.652 -0.535 1.00 0.00 C ATOM 72 C GLY A 590 25.023 0.310 -0.137 1.00 0.00 C ATOM 73 O GLY A 590 25.303 -0.707 -0.769 1.00 0.00 O ATOM 0 H GLY A 590 26.939 1.388 1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 590 24.785 2.392 -0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 590 25.973 1.594 -1.552 1.00 0.00 H new ATOM 77 N TRP A 591 24.243 0.309 0.924 1.00 0.00 N ATOM 78 CA TRP A 591 23.523 -0.879 1.338 1.00 0.00 C ATOM 79 C TRP A 591 22.345 -1.104 0.401 1.00 0.00 C ATOM 80 O TRP A 591 22.297 -2.080 -0.346 1.00 0.00 O ATOM 81 CB TRP A 591 22.984 -0.734 2.767 1.00 0.00 C ATOM 82 CG TRP A 591 23.636 0.345 3.585 1.00 0.00 C ATOM 83 CD1 TRP A 591 24.447 0.168 4.662 1.00 0.00 C ATOM 84 CD2 TRP A 591 23.518 1.766 3.401 1.00 0.00 C ATOM 85 NE1 TRP A 591 24.825 1.383 5.172 1.00 0.00 N ATOM 86 CE2 TRP A 591 24.273 2.381 4.415 1.00 0.00 C ATOM 87 CE3 TRP A 591 22.840 2.575 2.485 1.00 0.00 C ATOM 88 CZ2 TRP A 591 24.374 3.768 4.533 1.00 0.00 C ATOM 89 CZ3 TRP A 591 22.942 3.947 2.602 1.00 0.00 C ATOM 90 CH2 TRP A 591 23.703 4.532 3.620 1.00 0.00 C ATOM 0 H TRP A 591 24.090 1.123 1.519 1.00 0.00 H new ATOM 0 HA TRP A 591 24.214 -1.721 1.305 1.00 0.00 H new ATOM 0 HB2 TRP A 591 21.914 -0.535 2.717 1.00 0.00 H new ATOM 0 HB3 TRP A 591 23.107 -1.686 3.284 1.00 0.00 H new ATOM 0 HD1 TRP A 591 24.749 -0.790 5.058 1.00 0.00 H new ATOM 0 HE1 TRP A 591 25.423 1.521 5.987 1.00 0.00 H new ATOM 0 HE3 TRP A 591 22.246 2.134 1.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 591 24.961 4.221 5.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 591 22.425 4.580 1.895 1.00 0.00 H new ATOM 0 HH2 TRP A 591 23.761 5.608 3.686 1.00 0.00 H new ATOM 101 N HIS A 592 21.412 -0.160 0.429 1.00 0.00 N ATOM 102 CA HIS A 592 20.166 -0.277 -0.318 1.00 0.00 C ATOM 103 C HIS A 592 20.236 0.385 -1.691 1.00 0.00 C ATOM 104 O HIS A 592 19.221 0.474 -2.366 1.00 0.00 O ATOM 105 CB HIS A 592 18.991 0.300 0.477 1.00 0.00 C ATOM 106 CG HIS A 592 18.385 -0.676 1.435 1.00 0.00 C ATOM 107 ND1 HIS A 592 18.544 -0.599 2.800 1.00 0.00 N ATOM 108 CD2 HIS A 592 17.599 -1.755 1.211 1.00 0.00 C ATOM 109 CE1 HIS A 592 17.883 -1.587 3.373 1.00 0.00 C ATOM 110 NE2 HIS A 592 17.301 -2.303 2.431 1.00 0.00 N ATOM 0 H HIS A 592 21.497 0.703 0.966 1.00 0.00 H new ATOM 0 HA HIS A 592 20.006 -1.344 -0.476 1.00 0.00 H new ATOM 0 HB2 HIS A 592 19.331 1.176 1.029 1.00 0.00 H new ATOM 0 HB3 HIS A 592 18.223 0.639 -0.218 1.00 0.00 H new ATOM 0 HD2 HIS A 592 17.268 -2.117 0.249 1.00 0.00 H new ATOM 0 HE1 HIS A 592 17.828 -1.777 4.435 1.00 0.00 H new ATOM 0 HE2 HIS A 592 16.723 -3.129 2.585 1.00 0.00 H new ATOM 119 N GLU A 593 21.415 0.877 -2.077 1.00 0.00 N ATOM 120 CA GLU A 593 21.602 1.596 -3.345 1.00 0.00 C ATOM 121 C GLU A 593 20.934 0.922 -4.559 1.00 0.00 C ATOM 122 O GLU A 593 20.541 1.602 -5.507 1.00 0.00 O ATOM 123 CB GLU A 593 23.101 1.843 -3.601 1.00 0.00 C ATOM 124 CG GLU A 593 24.031 0.636 -3.423 1.00 0.00 C ATOM 125 CD GLU A 593 23.690 -0.559 -4.284 1.00 0.00 C ATOM 126 OE1 GLU A 593 23.986 -0.532 -5.496 1.00 0.00 O ATOM 127 OE2 GLU A 593 23.131 -1.537 -3.747 1.00 0.00 O ATOM 0 H GLU A 593 22.267 0.790 -1.523 1.00 0.00 H new ATOM 0 HA GLU A 593 21.088 2.551 -3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 593 23.217 2.217 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 593 23.436 2.634 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 593 25.052 0.946 -3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 593 24.010 0.330 -2.377 1.00 0.00 H new ATOM 134 N HIS A 594 20.812 -0.401 -4.538 1.00 0.00 N ATOM 135 CA HIS A 594 20.128 -1.131 -5.610 1.00 0.00 C ATOM 136 C HIS A 594 18.611 -0.905 -5.577 1.00 0.00 C ATOM 137 O HIS A 594 17.862 -1.551 -6.309 1.00 0.00 O ATOM 138 CB HIS A 594 20.463 -2.638 -5.570 1.00 0.00 C ATOM 139 CG HIS A 594 20.114 -3.341 -4.286 1.00 0.00 C ATOM 140 ND1 HIS A 594 20.403 -3.042 -2.996 1.00 0.00 N flip ATOM 141 CD2 HIS A 594 19.409 -4.526 -4.247 1.00 0.00 C flip ATOM 142 CE1 HIS A 594 19.874 -4.036 -2.215 1.00 0.00 C flip ATOM 143 NE2 HIS A 594 19.279 -4.920 -2.994 1.00 0.00 N flip ATOM 0 H HIS A 594 21.176 -0.994 -3.792 1.00 0.00 H new ATOM 0 HA HIS A 594 20.498 -0.730 -6.554 1.00 0.00 H new ATOM 0 HB2 HIS A 594 19.940 -3.131 -6.389 1.00 0.00 H new ATOM 0 HB3 HIS A 594 21.530 -2.761 -5.754 1.00 0.00 H new ATOM 0 HD2 HIS A 594 19.023 -5.050 -5.109 1.00 0.00 H new ATOM 0 HE1 HIS A 594 19.934 -4.088 -1.138 1.00 0.00 H new ATOM 0 HE2 HIS A 594 18.800 -5.764 -2.681 1.00 0.00 H new ATOM 152 N VAL A 595 18.166 -0.002 -4.708 1.00 0.00 N ATOM 153 CA VAL A 595 16.802 0.492 -4.716 1.00 0.00 C ATOM 154 C VAL A 595 16.826 2.006 -4.564 1.00 0.00 C ATOM 155 O VAL A 595 17.546 2.535 -3.718 1.00 0.00 O ATOM 156 CB VAL A 595 15.957 -0.106 -3.563 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.573 0.539 -3.501 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.833 -1.614 -3.697 1.00 0.00 C ATOM 0 H VAL A 595 18.748 0.407 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 595 16.346 0.194 -5.660 1.00 0.00 H new ATOM 0 HB VAL A 595 16.478 0.112 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 595 14.003 0.099 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.678 1.611 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.049 0.367 -4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.235 -2.004 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.350 -1.857 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.825 -2.064 -3.670 1.00 0.00 H new ATOM 168 N THR A 596 16.064 2.705 -5.383 1.00 0.00 N ATOM 169 CA THR A 596 15.955 4.145 -5.255 1.00 0.00 C ATOM 170 C THR A 596 14.798 4.510 -4.329 1.00 0.00 C ATOM 171 O THR A 596 13.842 3.744 -4.187 1.00 0.00 O ATOM 172 CB THR A 596 15.782 4.833 -6.632 1.00 0.00 C ATOM 173 OG1 THR A 596 15.520 6.231 -6.464 1.00 0.00 O ATOM 174 CG2 THR A 596 14.662 4.194 -7.437 1.00 0.00 C ATOM 0 H THR A 596 15.514 2.301 -6.141 1.00 0.00 H new ATOM 0 HA THR A 596 16.886 4.508 -4.821 1.00 0.00 H new ATOM 0 HB THR A 596 16.714 4.704 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.415 6.652 -7.343 1.00 0.00 H new ATOM 0 HG21 THR A 596 14.569 4.702 -8.397 1.00 0.00 H new ATOM 0 HG22 THR A 596 14.889 3.141 -7.604 1.00 0.00 H new ATOM 0 HG23 THR A 596 13.724 4.281 -6.888 1.00 0.00 H new ATOM 182 N GLN A 597 14.889 5.673 -3.700 1.00 0.00 N ATOM 183 CA GLN A 597 13.848 6.138 -2.795 1.00 0.00 C ATOM 184 C GLN A 597 12.554 6.345 -3.571 1.00 0.00 C ATOM 185 O GLN A 597 11.465 6.028 -3.088 1.00 0.00 O ATOM 186 CB GLN A 597 14.277 7.438 -2.114 1.00 0.00 C ATOM 187 CG GLN A 597 13.306 7.921 -1.048 1.00 0.00 C ATOM 188 CD GLN A 597 13.129 6.917 0.073 1.00 0.00 C ATOM 189 OE1 GLN A 597 14.040 6.148 0.385 1.00 0.00 O ATOM 190 NE2 GLN A 597 11.962 6.920 0.692 1.00 0.00 N ATOM 0 H GLN A 597 15.676 6.314 -3.800 1.00 0.00 H new ATOM 0 HA GLN A 597 13.683 5.387 -2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 597 15.258 7.293 -1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 597 14.387 8.215 -2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 597 13.665 8.863 -0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 597 12.338 8.123 -1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 597 11.233 7.573 0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 597 11.790 6.270 1.459 1.00 0.00 H new ATOM 199 N ASP A 598 12.701 6.868 -4.786 1.00 0.00 N ATOM 200 CA ASP A 598 11.571 7.095 -5.684 1.00 0.00 C ATOM 201 C ASP A 598 10.792 5.804 -5.906 1.00 0.00 C ATOM 202 O ASP A 598 9.564 5.819 -6.001 1.00 0.00 O ATOM 203 CB ASP A 598 12.035 7.666 -7.026 1.00 0.00 C ATOM 204 CG ASP A 598 10.876 7.929 -7.966 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.220 8.984 -7.832 1.00 0.00 O ATOM 206 OD2 ASP A 598 10.619 7.085 -8.852 1.00 0.00 O ATOM 0 H ASP A 598 13.602 7.145 -5.175 1.00 0.00 H new ATOM 0 HA ASP A 598 10.915 7.825 -5.211 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.580 8.594 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 598 12.730 6.970 -7.495 1.00 0.00 H new ATOM 211 N LEU A 599 11.509 4.688 -6.008 1.00 0.00 N ATOM 212 CA LEU A 599 10.879 3.388 -6.164 1.00 0.00 C ATOM 213 C LEU A 599 9.904 3.132 -5.022 1.00 0.00 C ATOM 214 O LEU A 599 8.746 2.790 -5.254 1.00 0.00 O ATOM 215 CB LEU A 599 11.937 2.275 -6.215 1.00 0.00 C ATOM 216 CG LEU A 599 11.438 0.947 -6.772 1.00 0.00 C ATOM 217 CD1 LEU A 599 11.050 1.122 -8.226 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.494 -0.136 -6.621 1.00 0.00 C ATOM 0 H LEU A 599 12.528 4.662 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 599 10.328 3.385 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 599 12.775 2.616 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.320 2.110 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 599 10.561 0.633 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 599 10.693 0.172 -8.624 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.259 1.868 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 599 11.918 1.452 -8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.114 -1.074 -7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.394 0.155 -7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 599 12.733 -0.267 -5.566 1.00 0.00 H new ATOM 230 N ARG A 600 10.368 3.345 -3.795 1.00 0.00 N ATOM 231 CA ARG A 600 9.547 3.101 -2.614 1.00 0.00 C ATOM 232 C ARG A 600 8.349 4.044 -2.560 1.00 0.00 C ATOM 233 O ARG A 600 7.230 3.616 -2.281 1.00 0.00 O ATOM 234 CB ARG A 600 10.376 3.229 -1.335 1.00 0.00 C ATOM 235 CG ARG A 600 11.464 2.179 -1.213 1.00 0.00 C ATOM 236 CD ARG A 600 11.901 1.989 0.230 1.00 0.00 C ATOM 237 NE ARG A 600 12.620 3.147 0.765 1.00 0.00 N ATOM 238 CZ ARG A 600 12.561 3.532 2.043 1.00 0.00 C ATOM 239 NH1 ARG A 600 11.710 2.954 2.879 1.00 0.00 N ATOM 240 NH2 ARG A 600 13.320 4.530 2.471 1.00 0.00 N ATOM 0 H ARG A 600 11.308 3.686 -3.592 1.00 0.00 H new ATOM 0 HA ARG A 600 9.172 2.080 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.832 4.219 -1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.713 3.156 -0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 600 11.102 1.231 -1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.322 2.472 -1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 600 11.024 1.795 0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.539 1.108 0.298 1.00 0.00 H new ATOM 0 HE ARG A 600 13.199 3.691 0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 600 11.095 2.211 2.548 1.00 0.00 H new ATOM 0 HH12 ARG A 600 11.670 3.253 3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 600 13.950 5.005 1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 600 13.274 4.823 3.447 1.00 0.00 H new ATOM 254 N SER A 601 8.577 5.320 -2.845 1.00 0.00 N ATOM 255 CA SER A 601 7.507 6.306 -2.805 1.00 0.00 C ATOM 256 C SER A 601 6.453 5.997 -3.868 1.00 0.00 C ATOM 257 O SER A 601 5.252 6.150 -3.632 1.00 0.00 O ATOM 258 CB SER A 601 8.074 7.722 -2.972 1.00 0.00 C ATOM 259 OG SER A 601 8.988 7.789 -4.053 1.00 0.00 O ATOM 0 H SER A 601 9.489 5.694 -3.105 1.00 0.00 H new ATOM 0 HA SER A 601 7.021 6.255 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 601 7.258 8.425 -3.140 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.573 8.026 -2.052 1.00 0.00 H new ATOM 0 HG SER A 601 8.897 6.987 -4.608 1.00 0.00 H new ATOM 265 N HIS A 602 6.914 5.560 -5.040 1.00 0.00 N ATOM 266 CA HIS A 602 6.014 5.173 -6.126 1.00 0.00 C ATOM 267 C HIS A 602 5.125 4.010 -5.686 1.00 0.00 C ATOM 268 O HIS A 602 3.917 4.012 -5.925 1.00 0.00 O ATOM 269 CB HIS A 602 6.806 4.775 -7.381 1.00 0.00 C ATOM 270 CG HIS A 602 5.986 4.746 -8.638 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.156 5.646 -9.667 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.003 3.905 -9.040 1.00 0.00 C ATOM 273 CE1 HIS A 602 5.318 5.361 -10.644 1.00 0.00 C ATOM 274 NE2 HIS A 602 4.607 4.307 -10.288 1.00 0.00 N ATOM 0 H HIS A 602 7.905 5.465 -5.261 1.00 0.00 H new ATOM 0 HA HIS A 602 5.389 6.032 -6.369 1.00 0.00 H new ATOM 0 HB2 HIS A 602 7.631 5.475 -7.514 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.245 3.790 -7.223 1.00 0.00 H new ATOM 0 HD2 HIS A 602 4.605 3.072 -8.480 1.00 0.00 H new ATOM 0 HE1 HIS A 602 5.228 5.898 -11.577 1.00 0.00 H new ATOM 0 HE2 HIS A 602 3.881 3.864 -10.851 1.00 0.00 H new ATOM 283 N LEU A 603 5.736 3.029 -5.028 1.00 0.00 N ATOM 284 CA LEU A 603 5.028 1.837 -4.563 1.00 0.00 C ATOM 285 C LEU A 603 3.948 2.195 -3.546 1.00 0.00 C ATOM 286 O LEU A 603 2.874 1.591 -3.535 1.00 0.00 O ATOM 287 CB LEU A 603 6.008 0.818 -3.978 1.00 0.00 C ATOM 288 CG LEU A 603 7.093 0.351 -4.952 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.171 -0.438 -4.228 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.484 -0.487 -6.068 1.00 0.00 C ATOM 0 H LEU A 603 6.731 3.036 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 603 4.537 1.385 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.487 1.255 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.447 -0.051 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 603 7.555 1.235 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.929 -0.758 -4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.632 0.191 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.726 -1.313 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.270 -0.810 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 603 5.993 -1.361 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.753 0.110 -6.613 1.00 0.00 H new ATOM 302 N VAL A 604 4.236 3.176 -2.695 1.00 0.00 N ATOM 303 CA VAL A 604 3.271 3.630 -1.700 1.00 0.00 C ATOM 304 C VAL A 604 2.024 4.178 -2.386 1.00 0.00 C ATOM 305 O VAL A 604 0.898 3.861 -2.000 1.00 0.00 O ATOM 306 CB VAL A 604 3.870 4.718 -0.779 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.793 5.350 0.091 1.00 0.00 C ATOM 308 CG2 VAL A 604 4.969 4.134 0.092 1.00 0.00 C ATOM 0 H VAL A 604 5.128 3.670 -2.675 1.00 0.00 H new ATOM 0 HA VAL A 604 3.006 2.769 -1.086 1.00 0.00 H new ATOM 0 HB VAL A 604 4.299 5.494 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.241 6.112 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.035 5.809 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.330 4.583 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.378 4.915 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.558 3.335 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.760 3.732 -0.541 1.00 0.00 H new ATOM 318 N HIS A 605 2.230 4.984 -3.424 1.00 0.00 N ATOM 319 CA HIS A 605 1.112 5.557 -4.174 1.00 0.00 C ATOM 320 C HIS A 605 0.334 4.448 -4.862 1.00 0.00 C ATOM 321 O HIS A 605 -0.890 4.473 -4.910 1.00 0.00 O ATOM 322 CB HIS A 605 1.588 6.566 -5.225 1.00 0.00 C ATOM 323 CG HIS A 605 2.438 7.674 -4.682 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.464 8.253 -5.398 1.00 0.00 N ATOM 325 CD2 HIS A 605 2.407 8.318 -3.490 1.00 0.00 C ATOM 326 CE1 HIS A 605 4.027 9.199 -4.672 1.00 0.00 C ATOM 327 NE2 HIS A 605 3.405 9.261 -3.510 1.00 0.00 N ATOM 0 H HIS A 605 3.153 5.255 -3.764 1.00 0.00 H new ATOM 0 HA HIS A 605 0.474 6.083 -3.464 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.152 6.034 -5.991 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.716 7.000 -5.715 1.00 0.00 H new ATOM 0 HD2 HIS A 605 1.724 8.125 -2.676 1.00 0.00 H new ATOM 0 HE1 HIS A 605 4.857 9.819 -4.977 1.00 0.00 H new ATOM 0 HE2 HIS A 605 3.629 9.904 -2.751 1.00 0.00 H new ATOM 336 N LYS A 606 1.069 3.478 -5.397 1.00 0.00 N ATOM 337 CA LYS A 606 0.475 2.316 -6.046 1.00 0.00 C ATOM 338 C LYS A 606 -0.478 1.602 -5.090 1.00 0.00 C ATOM 339 O LYS A 606 -1.555 1.151 -5.485 1.00 0.00 O ATOM 340 CB LYS A 606 1.580 1.362 -6.510 1.00 0.00 C ATOM 341 CG LYS A 606 1.078 0.153 -7.283 1.00 0.00 C ATOM 342 CD LYS A 606 2.232 -0.723 -7.742 1.00 0.00 C ATOM 343 CE LYS A 606 1.746 -1.897 -8.574 1.00 0.00 C ATOM 344 NZ LYS A 606 2.872 -2.701 -9.115 1.00 0.00 N ATOM 0 H LYS A 606 2.089 3.476 -5.393 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.095 2.647 -6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 606 2.281 1.914 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 606 2.135 1.016 -5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 606 0.403 -0.429 -6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 606 0.503 0.484 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 606 2.932 -0.127 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 606 2.777 -1.093 -6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 606 1.107 -2.534 -7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 606 1.135 -1.529 -9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 2.496 -3.492 -9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 3.469 -2.100 -9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 3.441 -3.075 -8.329 1.00 0.00 H new ATOM 358 N LEU A 607 -0.068 1.510 -3.829 1.00 0.00 N ATOM 359 CA LEU A 607 -0.897 0.919 -2.789 1.00 0.00 C ATOM 360 C LEU A 607 -2.154 1.761 -2.580 1.00 0.00 C ATOM 361 O LEU A 607 -3.266 1.233 -2.565 1.00 0.00 O ATOM 362 CB LEU A 607 -0.091 0.810 -1.486 1.00 0.00 C ATOM 363 CG LEU A 607 -0.682 -0.090 -0.392 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.383 -0.421 0.634 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.864 0.573 0.299 1.00 0.00 C ATOM 0 H LEU A 607 0.840 1.840 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.203 -0.082 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.905 0.442 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.031 1.812 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 607 -1.036 -1.004 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 607 -0.043 -1.060 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 607 1.208 -0.941 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.751 0.500 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.257 -0.093 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.540 1.506 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.644 0.781 -0.434 1.00 0.00 H new ATOM 377 N VAL A 608 -1.964 3.069 -2.412 1.00 0.00 N ATOM 378 CA VAL A 608 -3.078 4.000 -2.251 1.00 0.00 C ATOM 379 C VAL A 608 -4.054 3.914 -3.424 1.00 0.00 C ATOM 380 O VAL A 608 -5.261 3.797 -3.227 1.00 0.00 O ATOM 381 CB VAL A 608 -2.577 5.457 -2.114 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.744 6.430 -1.994 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.644 5.595 -0.921 1.00 0.00 C ATOM 0 H VAL A 608 -1.044 3.509 -2.384 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.597 3.712 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 608 -2.021 5.705 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.362 7.446 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.370 6.359 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.336 6.181 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.303 6.627 -0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.175 5.318 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.784 4.938 -1.054 1.00 0.00 H new ATOM 393 N GLN A 609 -3.521 3.962 -4.639 1.00 0.00 N ATOM 394 CA GLN A 609 -4.335 3.905 -5.850 1.00 0.00 C ATOM 395 C GLN A 609 -5.150 2.619 -5.924 1.00 0.00 C ATOM 396 O GLN A 609 -6.285 2.631 -6.395 1.00 0.00 O ATOM 397 CB GLN A 609 -3.471 4.078 -7.100 1.00 0.00 C ATOM 398 CG GLN A 609 -3.416 5.517 -7.603 1.00 0.00 C ATOM 399 CD GLN A 609 -2.917 6.503 -6.560 1.00 0.00 C ATOM 400 OE1 GLN A 609 -1.718 6.772 -6.465 1.00 0.00 O ATOM 401 NE2 GLN A 609 -3.832 7.047 -5.764 1.00 0.00 N ATOM 0 H GLN A 609 -2.519 4.041 -4.814 1.00 0.00 H new ATOM 0 HA GLN A 609 -5.040 4.735 -5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.458 3.738 -6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -3.859 3.438 -7.893 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -2.766 5.564 -8.477 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.411 5.818 -7.930 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -4.815 6.799 -5.873 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -3.551 7.712 -5.044 1.00 0.00 H new ATOM 410 N ALA A 610 -4.564 1.513 -5.481 1.00 0.00 N ATOM 411 CA ALA A 610 -5.273 0.240 -5.425 1.00 0.00 C ATOM 412 C ALA A 610 -6.559 0.366 -4.606 1.00 0.00 C ATOM 413 O ALA A 610 -7.589 -0.212 -4.958 1.00 0.00 O ATOM 414 CB ALA A 610 -4.376 -0.840 -4.843 1.00 0.00 C ATOM 0 H ALA A 610 -3.598 1.472 -5.155 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.546 -0.043 -6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -4.919 -1.784 -4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.491 -0.954 -5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.074 -0.557 -3.835 1.00 0.00 H new ATOM 420 N ILE A 611 -6.487 1.121 -3.512 1.00 0.00 N ATOM 421 CA ILE A 611 -7.645 1.331 -2.645 1.00 0.00 C ATOM 422 C ILE A 611 -8.531 2.455 -3.194 1.00 0.00 C ATOM 423 O ILE A 611 -9.756 2.410 -3.062 1.00 0.00 O ATOM 424 CB ILE A 611 -7.213 1.683 -1.169 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.476 0.515 -0.477 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.404 2.126 -0.313 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.514 0.967 0.600 1.00 0.00 C ATOM 0 H ILE A 611 -5.639 1.598 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.206 0.397 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.518 2.518 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -7.211 -0.160 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.928 -0.055 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -8.061 2.358 0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.860 3.012 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -9.140 1.323 -0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -5.031 0.097 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.757 1.618 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -6.060 1.512 1.370 1.00 0.00 H new ATOM 439 N PHE A 612 -7.920 3.440 -3.841 1.00 0.00 N ATOM 440 CA PHE A 612 -8.639 4.630 -4.261 1.00 0.00 C ATOM 441 C PHE A 612 -7.916 5.287 -5.436 1.00 0.00 C ATOM 442 O PHE A 612 -7.019 6.112 -5.247 1.00 0.00 O ATOM 443 CB PHE A 612 -8.756 5.602 -3.084 1.00 0.00 C ATOM 444 CG PHE A 612 -9.884 6.586 -3.210 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.148 6.171 -3.598 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.682 7.922 -2.926 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.187 7.074 -3.703 1.00 0.00 C ATOM 448 CE2 PHE A 612 -10.718 8.831 -3.025 1.00 0.00 C ATOM 449 CZ PHE A 612 -11.972 8.407 -3.415 1.00 0.00 C ATOM 0 H PHE A 612 -6.930 3.436 -4.085 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.642 4.354 -4.586 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -8.889 5.030 -2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -7.819 6.150 -2.985 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.322 5.129 -3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.702 8.261 -2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.166 6.738 -4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.546 9.873 -2.797 1.00 0.00 H new ATOM 0 HZ PHE A 612 -12.783 9.116 -3.495 1.00 0.00 H new ATOM 459 N PRO A 613 -8.286 4.915 -6.671 1.00 0.00 N ATOM 460 CA PRO A 613 -7.589 5.385 -7.873 1.00 0.00 C ATOM 461 C PRO A 613 -8.031 6.778 -8.316 1.00 0.00 C ATOM 462 O PRO A 613 -7.283 7.484 -8.990 1.00 0.00 O ATOM 463 CB PRO A 613 -7.974 4.343 -8.929 1.00 0.00 C ATOM 464 CG PRO A 613 -9.296 3.792 -8.485 1.00 0.00 C ATOM 465 CD PRO A 613 -9.397 3.985 -6.987 1.00 0.00 C ATOM 0 HA PRO A 613 -6.516 5.478 -7.704 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -8.050 4.796 -9.918 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -7.223 3.556 -8.996 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.113 4.304 -8.992 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -9.375 2.735 -8.740 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.362 4.404 -6.702 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.291 3.040 -6.454 1.00 0.00 H new ATOM 473 N THR A 614 -9.246 7.157 -7.951 1.00 0.00 N ATOM 474 CA THR A 614 -9.798 8.454 -8.331 1.00 0.00 C ATOM 475 C THR A 614 -9.405 9.549 -7.335 1.00 0.00 C ATOM 476 O THR A 614 -9.923 9.593 -6.217 1.00 0.00 O ATOM 477 CB THR A 614 -11.333 8.378 -8.431 1.00 0.00 C ATOM 478 OG1 THR A 614 -11.864 7.765 -7.246 1.00 0.00 O ATOM 479 CG2 THR A 614 -11.755 7.579 -9.655 1.00 0.00 C ATOM 0 H THR A 614 -9.874 6.583 -7.389 1.00 0.00 H new ATOM 0 HA THR A 614 -9.381 8.711 -9.305 1.00 0.00 H new ATOM 0 HB THR A 614 -11.725 9.391 -8.527 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.408 8.127 -6.458 1.00 0.00 H new ATOM 0 HG21 THR A 614 -12.843 7.538 -9.706 1.00 0.00 H new ATOM 0 HG22 THR A 614 -11.368 8.059 -10.554 1.00 0.00 H new ATOM 0 HG23 THR A 614 -11.357 6.567 -9.584 1.00 0.00 H new ATOM 487 N PRO A 615 -8.479 10.446 -7.721 1.00 0.00 N ATOM 488 CA PRO A 615 -8.026 11.547 -6.867 1.00 0.00 C ATOM 489 C PRO A 615 -8.988 12.733 -6.903 1.00 0.00 C ATOM 490 O PRO A 615 -8.775 13.700 -7.636 1.00 0.00 O ATOM 491 CB PRO A 615 -6.667 11.947 -7.475 1.00 0.00 C ATOM 492 CG PRO A 615 -6.425 10.979 -8.606 1.00 0.00 C ATOM 493 CD PRO A 615 -7.784 10.476 -9.011 1.00 0.00 C ATOM 0 HA PRO A 615 -7.966 11.249 -5.820 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -6.687 12.975 -7.837 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -5.872 11.887 -6.731 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -5.925 11.470 -9.441 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -5.783 10.158 -8.288 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -8.272 11.140 -9.725 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -7.736 9.491 -9.474 1.00 0.00 H new ATOM 501 N ASP A 616 -10.042 12.652 -6.107 1.00 0.00 N ATOM 502 CA ASP A 616 -11.035 13.726 -6.032 1.00 0.00 C ATOM 503 C ASP A 616 -10.420 14.949 -5.363 1.00 0.00 C ATOM 504 O ASP A 616 -9.796 14.832 -4.311 1.00 0.00 O ATOM 505 CB ASP A 616 -12.269 13.273 -5.232 1.00 0.00 C ATOM 506 CG ASP A 616 -13.297 14.376 -5.080 1.00 0.00 C ATOM 507 OD1 ASP A 616 -14.059 14.628 -6.036 1.00 0.00 O ATOM 508 OD2 ASP A 616 -13.344 15.004 -4.003 1.00 0.00 O ATOM 0 H ASP A 616 -10.237 11.855 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 616 -11.347 13.977 -7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.728 12.419 -5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -11.954 12.935 -4.245 1.00 0.00 H new ATOM 513 N PRO A 617 -10.582 16.139 -5.983 1.00 0.00 N ATOM 514 CA PRO A 617 -9.983 17.392 -5.495 1.00 0.00 C ATOM 515 C PRO A 617 -10.334 17.718 -4.044 1.00 0.00 C ATOM 516 O PRO A 617 -9.586 18.424 -3.367 1.00 0.00 O ATOM 517 CB PRO A 617 -10.560 18.471 -6.434 1.00 0.00 C ATOM 518 CG PRO A 617 -11.700 17.819 -7.136 1.00 0.00 C ATOM 519 CD PRO A 617 -11.345 16.363 -7.225 1.00 0.00 C ATOM 0 HA PRO A 617 -8.895 17.326 -5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -10.893 19.343 -5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -9.808 18.817 -7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -12.631 17.962 -6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -11.846 18.248 -8.128 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -12.232 15.732 -7.274 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -10.749 16.145 -8.111 1.00 0.00 H new ATOM 527 N ALA A 618 -11.476 17.233 -3.572 1.00 0.00 N ATOM 528 CA ALA A 618 -11.887 17.469 -2.198 1.00 0.00 C ATOM 529 C ALA A 618 -11.451 16.319 -1.294 1.00 0.00 C ATOM 530 O ALA A 618 -10.813 16.536 -0.266 1.00 0.00 O ATOM 531 CB ALA A 618 -13.393 17.668 -2.126 1.00 0.00 C ATOM 0 H ALA A 618 -12.131 16.676 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 618 -11.399 18.377 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -13.688 17.844 -1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -13.676 18.527 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -13.896 16.776 -2.500 1.00 0.00 H new ATOM 537 N ALA A 619 -11.803 15.097 -1.691 1.00 0.00 N ATOM 538 CA ALA A 619 -11.454 13.891 -0.933 1.00 0.00 C ATOM 539 C ALA A 619 -9.949 13.755 -0.720 1.00 0.00 C ATOM 540 O ALA A 619 -9.506 13.137 0.247 1.00 0.00 O ATOM 541 CB ALA A 619 -11.995 12.651 -1.625 1.00 0.00 C ATOM 0 H ALA A 619 -12.335 14.913 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.917 13.989 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -11.726 11.766 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -13.080 12.720 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -11.567 12.576 -2.625 1.00 0.00 H new ATOM 547 N LEU A 620 -9.167 14.322 -1.628 1.00 0.00 N ATOM 548 CA LEU A 620 -7.710 14.294 -1.509 1.00 0.00 C ATOM 549 C LEU A 620 -7.286 14.995 -0.214 1.00 0.00 C ATOM 550 O LEU A 620 -6.247 14.692 0.369 1.00 0.00 O ATOM 551 CB LEU A 620 -7.068 14.987 -2.718 1.00 0.00 C ATOM 552 CG LEU A 620 -5.803 14.324 -3.294 1.00 0.00 C ATOM 553 CD1 LEU A 620 -4.674 14.286 -2.274 1.00 0.00 C ATOM 554 CD2 LEU A 620 -6.113 12.920 -3.794 1.00 0.00 C ATOM 0 H LEU A 620 -9.513 14.807 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 620 -7.374 13.258 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -7.813 15.049 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -6.819 16.009 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 620 -5.470 14.932 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.799 13.811 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -4.422 15.303 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.992 13.717 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -5.206 12.469 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.484 12.313 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -6.871 12.971 -4.576 1.00 0.00 H new ATOM 566 N LYS A 621 -8.124 15.915 0.238 1.00 0.00 N ATOM 567 CA LYS A 621 -7.856 16.687 1.442 1.00 0.00 C ATOM 568 C LYS A 621 -8.656 16.143 2.629 1.00 0.00 C ATOM 569 O LYS A 621 -8.811 16.820 3.648 1.00 0.00 O ATOM 570 CB LYS A 621 -8.196 18.162 1.199 1.00 0.00 C ATOM 571 CG LYS A 621 -7.483 18.750 -0.010 1.00 0.00 C ATOM 572 CD LYS A 621 -7.822 20.217 -0.211 1.00 0.00 C ATOM 573 CE LYS A 621 -7.183 20.762 -1.479 1.00 0.00 C ATOM 574 NZ LYS A 621 -7.459 22.212 -1.664 1.00 0.00 N ATOM 0 H LYS A 621 -9.007 16.147 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 621 -6.796 16.600 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -9.273 18.262 1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -7.932 18.740 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -6.406 18.640 0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -7.759 18.188 -0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -8.904 20.339 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -7.479 20.793 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -6.106 20.600 -1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -7.558 20.209 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -7.006 22.543 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -8.486 22.365 -1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -7.079 22.744 -0.855 1.00 0.00 H new ATOM 588 N ASP A 622 -9.140 14.911 2.503 1.00 0.00 N ATOM 589 CA ASP A 622 -9.975 14.304 3.540 1.00 0.00 C ATOM 590 C ASP A 622 -9.109 13.545 4.543 1.00 0.00 C ATOM 591 O ASP A 622 -8.198 12.803 4.166 1.00 0.00 O ATOM 592 CB ASP A 622 -11.009 13.355 2.923 1.00 0.00 C ATOM 593 CG ASP A 622 -11.838 12.650 3.980 1.00 0.00 C ATOM 594 OD1 ASP A 622 -11.428 11.573 4.447 1.00 0.00 O ATOM 595 OD2 ASP A 622 -12.899 13.184 4.367 1.00 0.00 O ATOM 0 H ASP A 622 -8.970 14.312 1.695 1.00 0.00 H new ATOM 0 HA ASP A 622 -10.504 15.104 4.058 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.668 13.918 2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.499 12.613 2.309 1.00 0.00 H new ATOM 600 N ARG A 623 -9.398 13.773 5.827 1.00 0.00 N ATOM 601 CA ARG A 623 -8.647 13.188 6.937 1.00 0.00 C ATOM 602 C ARG A 623 -8.575 11.660 6.898 1.00 0.00 C ATOM 603 O ARG A 623 -7.535 11.092 7.233 1.00 0.00 O ATOM 604 CB ARG A 623 -9.246 13.644 8.271 1.00 0.00 C ATOM 605 CG ARG A 623 -9.075 15.133 8.548 1.00 0.00 C ATOM 606 CD ARG A 623 -7.612 15.544 8.511 1.00 0.00 C ATOM 607 NE ARG A 623 -7.435 16.973 8.744 1.00 0.00 N ATOM 608 CZ ARG A 623 -6.293 17.626 8.540 1.00 0.00 C ATOM 609 NH1 ARG A 623 -5.228 16.987 8.068 1.00 0.00 N ATOM 610 NH2 ARG A 623 -6.221 18.924 8.798 1.00 0.00 N ATOM 0 H ARG A 623 -10.166 14.374 6.126 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.623 13.547 6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -10.309 13.402 8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.782 13.078 9.079 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -9.634 15.708 7.809 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -9.497 15.373 9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -7.060 14.984 9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -7.187 15.280 7.543 1.00 0.00 H new ATOM 0 HE ARG A 623 -8.236 17.505 9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -5.282 15.990 7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -4.356 17.493 7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -7.039 19.420 9.152 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -5.347 19.427 8.643 1.00 0.00 H new ATOM 624 N ARG A 624 -9.660 10.987 6.522 1.00 0.00 N ATOM 625 CA ARG A 624 -9.653 9.521 6.496 1.00 0.00 C ATOM 626 C ARG A 624 -8.646 9.013 5.476 1.00 0.00 C ATOM 627 O ARG A 624 -7.964 8.013 5.713 1.00 0.00 O ATOM 628 CB ARG A 624 -11.035 8.908 6.209 1.00 0.00 C ATOM 629 CG ARG A 624 -11.900 8.702 7.449 1.00 0.00 C ATOM 630 CD ARG A 624 -12.765 7.444 7.333 1.00 0.00 C ATOM 631 NE ARG A 624 -11.960 6.219 7.387 1.00 0.00 N ATOM 632 CZ ARG A 624 -12.467 4.989 7.516 1.00 0.00 C ATOM 633 NH1 ARG A 624 -13.779 4.796 7.526 1.00 0.00 N ATOM 634 NH2 ARG A 624 -11.653 3.948 7.628 1.00 0.00 N ATOM 0 H ARG A 624 -10.539 11.419 6.236 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.366 9.202 7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.568 9.554 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.897 7.947 5.713 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.262 8.625 8.329 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.540 9.572 7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.498 7.432 8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.322 7.471 6.396 1.00 0.00 H new ATOM 0 HE ARG A 624 -10.946 6.312 7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.412 5.591 7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -14.155 3.853 7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -10.643 4.087 7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -12.037 3.008 7.727 1.00 0.00 H new ATOM 648 N MET A 625 -8.559 9.694 4.335 1.00 0.00 N ATOM 649 CA MET A 625 -7.601 9.319 3.300 1.00 0.00 C ATOM 650 C MET A 625 -6.172 9.329 3.846 1.00 0.00 C ATOM 651 O MET A 625 -5.374 8.453 3.512 1.00 0.00 O ATOM 652 CB MET A 625 -7.713 10.214 2.056 1.00 0.00 C ATOM 653 CG MET A 625 -6.567 10.004 1.064 1.00 0.00 C ATOM 654 SD MET A 625 -6.612 11.150 -0.328 1.00 0.00 S ATOM 655 CE MET A 625 -8.093 10.603 -1.169 1.00 0.00 C ATOM 0 H MET A 625 -9.137 10.503 4.106 1.00 0.00 H new ATOM 0 HA MET A 625 -7.847 8.303 2.992 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.661 10.015 1.556 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.730 11.259 2.367 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.617 10.115 1.587 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.605 8.982 0.686 1.00 0.00 H new ATOM 0 HE1 MET A 625 -8.125 11.037 -2.168 1.00 0.00 H new ATOM 0 HE2 MET A 625 -8.088 9.516 -1.245 1.00 0.00 H new ATOM 0 HE3 MET A 625 -8.970 10.923 -0.606 1.00 0.00 H new ATOM 665 N GLU A 626 -5.856 10.305 4.699 1.00 0.00 N ATOM 666 CA GLU A 626 -4.522 10.415 5.274 1.00 0.00 C ATOM 667 C GLU A 626 -4.186 9.158 6.062 1.00 0.00 C ATOM 668 O GLU A 626 -3.059 8.674 6.032 1.00 0.00 O ATOM 669 CB GLU A 626 -4.415 11.645 6.175 1.00 0.00 C ATOM 670 CG GLU A 626 -4.718 12.949 5.459 1.00 0.00 C ATOM 671 CD GLU A 626 -4.380 14.164 6.292 1.00 0.00 C ATOM 672 OE1 GLU A 626 -5.096 14.438 7.274 1.00 0.00 O ATOM 673 OE2 GLU A 626 -3.384 14.850 5.972 1.00 0.00 O ATOM 0 H GLU A 626 -6.508 11.028 5.004 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.807 10.526 4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.102 11.532 7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -3.409 11.694 6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -4.156 12.985 4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.775 12.977 5.195 1.00 0.00 H new ATOM 680 N ASN A 627 -5.185 8.632 6.764 1.00 0.00 N ATOM 681 CA ASN A 627 -5.024 7.402 7.533 1.00 0.00 C ATOM 682 C ASN A 627 -4.678 6.238 6.618 1.00 0.00 C ATOM 683 O ASN A 627 -3.859 5.386 6.965 1.00 0.00 O ATOM 684 CB ASN A 627 -6.296 7.060 8.315 1.00 0.00 C ATOM 685 CG ASN A 627 -6.526 7.949 9.529 1.00 0.00 C ATOM 686 OD1 ASN A 627 -6.076 9.192 9.470 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -7.112 7.514 10.520 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.118 9.040 6.816 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.210 7.569 8.239 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.155 7.141 7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.243 6.021 8.641 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -7.446 6.550 10.533 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -7.263 8.117 11.329 1.00 0.00 H new ATOM 694 N LEU A 628 -5.315 6.195 5.453 1.00 0.00 N ATOM 695 CA LEU A 628 -5.046 5.132 4.485 1.00 0.00 C ATOM 696 C LEU A 628 -3.620 5.280 3.957 1.00 0.00 C ATOM 697 O LEU A 628 -2.891 4.297 3.823 1.00 0.00 O ATOM 698 CB LEU A 628 -6.101 5.136 3.343 1.00 0.00 C ATOM 699 CG LEU A 628 -5.626 5.543 1.936 1.00 0.00 C ATOM 700 CD1 LEU A 628 -4.835 4.424 1.277 1.00 0.00 C ATOM 701 CD2 LEU A 628 -6.812 5.915 1.060 1.00 0.00 C ATOM 0 H LEU A 628 -6.015 6.875 5.156 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.129 4.162 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.529 4.136 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -6.908 5.809 3.633 1.00 0.00 H new ATOM 0 HG LEU A 628 -4.974 6.410 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -4.513 4.741 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -3.961 4.190 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.463 3.538 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -6.457 6.200 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -7.483 5.060 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -7.347 6.752 1.508 1.00 0.00 H new ATOM 713 N VAL A 629 -3.220 6.519 3.683 1.00 0.00 N ATOM 714 CA VAL A 629 -1.880 6.797 3.178 1.00 0.00 C ATOM 715 C VAL A 629 -0.833 6.456 4.235 1.00 0.00 C ATOM 716 O VAL A 629 0.214 5.884 3.927 1.00 0.00 O ATOM 717 CB VAL A 629 -1.729 8.272 2.744 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.321 8.544 2.233 1.00 0.00 C ATOM 719 CG2 VAL A 629 -2.758 8.619 1.679 1.00 0.00 C ATOM 0 H VAL A 629 -3.805 7.346 3.802 1.00 0.00 H new ATOM 0 HA VAL A 629 -1.724 6.170 2.300 1.00 0.00 H new ATOM 0 HB VAL A 629 -1.903 8.904 3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.238 9.589 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.400 8.335 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.115 7.903 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.639 9.661 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.613 7.977 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -3.761 8.468 2.079 1.00 0.00 H new ATOM 729 N ALA A 630 -1.128 6.809 5.481 1.00 0.00 N ATOM 730 CA ALA A 630 -0.264 6.472 6.602 1.00 0.00 C ATOM 731 C ALA A 630 -0.122 4.958 6.740 1.00 0.00 C ATOM 732 O ALA A 630 0.962 4.454 7.036 1.00 0.00 O ATOM 733 CB ALA A 630 -0.786 7.102 7.890 1.00 0.00 C ATOM 0 H ALA A 630 -1.965 7.332 5.739 1.00 0.00 H new ATOM 0 HA ALA A 630 0.728 6.880 6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.127 6.839 8.717 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -0.814 8.186 7.779 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.791 6.732 8.095 1.00 0.00 H new ATOM 739 N TYR A 631 -1.217 4.231 6.522 1.00 0.00 N ATOM 740 CA TYR A 631 -1.167 2.772 6.531 1.00 0.00 C ATOM 741 C TYR A 631 -0.299 2.268 5.378 1.00 0.00 C ATOM 742 O TYR A 631 0.440 1.294 5.527 1.00 0.00 O ATOM 743 CB TYR A 631 -2.563 2.138 6.457 1.00 0.00 C ATOM 744 CG TYR A 631 -2.539 0.649 6.714 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.052 0.149 7.916 1.00 0.00 C ATOM 746 CD2 TYR A 631 -2.990 -0.253 5.763 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.013 -1.208 8.161 1.00 0.00 C ATOM 748 CE2 TYR A 631 -2.957 -1.614 6.003 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.466 -2.086 7.202 1.00 0.00 C ATOM 750 OH TYR A 631 -2.428 -3.443 7.440 1.00 0.00 O ATOM 0 H TYR A 631 -2.140 4.624 6.339 1.00 0.00 H new ATOM 0 HA TYR A 631 -0.725 2.470 7.481 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.215 2.618 7.186 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -2.992 2.326 5.473 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -1.698 0.835 8.671 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.372 0.113 4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -1.629 -1.580 9.100 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.315 -2.305 5.254 1.00 0.00 H new ATOM 0 HH TYR A 631 -2.785 -3.922 6.663 1.00 0.00 H new ATOM 760 N ALA A 632 -0.396 2.935 4.227 1.00 0.00 N ATOM 761 CA ALA A 632 0.413 2.580 3.066 1.00 0.00 C ATOM 762 C ALA A 632 1.896 2.738 3.399 1.00 0.00 C ATOM 763 O ALA A 632 2.722 1.899 3.033 1.00 0.00 O ATOM 764 CB ALA A 632 0.034 3.436 1.859 1.00 0.00 C ATOM 0 H ALA A 632 -1.027 3.722 4.076 1.00 0.00 H new ATOM 0 HA ALA A 632 0.220 1.538 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.650 3.154 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -1.017 3.278 1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.198 4.488 2.093 1.00 0.00 H new ATOM 770 N LYS A 633 2.217 3.821 4.106 1.00 0.00 N ATOM 771 CA LYS A 633 3.551 4.055 4.635 1.00 0.00 C ATOM 772 C LYS A 633 3.986 2.920 5.549 1.00 0.00 C ATOM 773 O LYS A 633 5.083 2.380 5.427 1.00 0.00 O ATOM 774 CB LYS A 633 3.540 5.340 5.452 1.00 0.00 C ATOM 775 CG LYS A 633 3.207 6.600 4.665 1.00 0.00 C ATOM 776 CD LYS A 633 3.965 6.675 3.354 1.00 0.00 C ATOM 777 CE LYS A 633 3.665 7.968 2.608 1.00 0.00 C ATOM 778 NZ LYS A 633 4.026 9.173 3.403 1.00 0.00 N ATOM 0 H LYS A 633 1.552 4.562 4.327 1.00 0.00 H new ATOM 0 HA LYS A 633 4.244 4.124 3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.817 5.233 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.519 5.467 5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 633 2.136 6.629 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 633 3.442 7.476 5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 633 5.035 6.605 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.698 5.823 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 633 4.214 7.978 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 633 2.605 8.004 2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 4.065 10.003 2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.310 9.329 4.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 4.956 9.030 3.847 1.00 0.00 H new ATOM 792 N LYS A 634 3.112 2.589 6.478 1.00 0.00 N ATOM 793 CA LYS A 634 3.356 1.509 7.427 1.00 0.00 C ATOM 794 C LYS A 634 3.685 0.208 6.697 1.00 0.00 C ATOM 795 O LYS A 634 4.635 -0.490 7.057 1.00 0.00 O ATOM 796 CB LYS A 634 2.132 1.317 8.331 1.00 0.00 C ATOM 797 CG LYS A 634 2.261 0.165 9.317 1.00 0.00 C ATOM 798 CD LYS A 634 3.447 0.353 10.251 1.00 0.00 C ATOM 799 CE LYS A 634 3.551 -0.784 11.256 1.00 0.00 C ATOM 800 NZ LYS A 634 2.355 -0.860 12.138 1.00 0.00 N ATOM 0 H LYS A 634 2.214 3.056 6.601 1.00 0.00 H new ATOM 0 HA LYS A 634 4.213 1.779 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 634 1.956 2.238 8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.255 1.149 7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 634 1.346 0.084 9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 634 2.373 -0.771 8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 634 4.366 0.409 9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 634 3.348 1.300 10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 634 3.670 -1.728 10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 634 4.444 -0.648 11.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 2.560 -1.479 12.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 2.116 0.092 12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 1.552 -1.247 11.602 1.00 0.00 H new ATOM 814 N VAL A 635 2.896 -0.112 5.675 1.00 0.00 N ATOM 815 CA VAL A 635 3.162 -1.283 4.845 1.00 0.00 C ATOM 816 C VAL A 635 4.560 -1.230 4.235 1.00 0.00 C ATOM 817 O VAL A 635 5.318 -2.190 4.355 1.00 0.00 O ATOM 818 CB VAL A 635 2.109 -1.441 3.723 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.637 -2.318 2.596 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.832 -2.044 4.282 1.00 0.00 C ATOM 0 H VAL A 635 2.070 0.421 5.402 1.00 0.00 H new ATOM 0 HA VAL A 635 3.099 -2.151 5.502 1.00 0.00 H new ATOM 0 HB VAL A 635 1.897 -0.450 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 635 1.876 -2.412 1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.533 -1.865 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 635 2.880 -3.306 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.099 -2.150 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.048 -3.024 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.431 -1.392 5.058 1.00 0.00 H new ATOM 830 N GLU A 636 4.906 -0.109 3.603 1.00 0.00 N ATOM 831 CA GLU A 636 6.215 0.021 2.958 1.00 0.00 C ATOM 832 C GLU A 636 7.334 -0.180 3.975 1.00 0.00 C ATOM 833 O GLU A 636 8.350 -0.799 3.669 1.00 0.00 O ATOM 834 CB GLU A 636 6.355 1.361 2.193 1.00 0.00 C ATOM 835 CG GLU A 636 6.868 2.564 2.991 1.00 0.00 C ATOM 836 CD GLU A 636 8.379 2.585 3.149 1.00 0.00 C ATOM 837 OE1 GLU A 636 9.095 2.454 2.134 1.00 0.00 O ATOM 838 OE2 GLU A 636 8.856 2.766 4.291 1.00 0.00 O ATOM 0 H GLU A 636 4.308 0.713 3.523 1.00 0.00 H new ATOM 0 HA GLU A 636 6.300 -0.766 2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 636 7.027 1.202 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.380 1.619 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 636 6.549 3.481 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 636 6.407 2.558 3.979 1.00 0.00 H new ATOM 845 N GLY A 637 7.133 0.336 5.185 1.00 0.00 N ATOM 846 CA GLY A 637 8.119 0.168 6.243 1.00 0.00 C ATOM 847 C GLY A 637 8.318 -1.287 6.621 1.00 0.00 C ATOM 848 O GLY A 637 9.450 -1.750 6.742 1.00 0.00 O ATOM 0 H GLY A 637 6.305 0.868 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 637 9.071 0.590 5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.804 0.729 7.123 1.00 0.00 H new ATOM 852 N ASP A 638 7.217 -2.007 6.803 1.00 0.00 N ATOM 853 CA ASP A 638 7.278 -3.430 7.136 1.00 0.00 C ATOM 854 C ASP A 638 7.913 -4.214 5.995 1.00 0.00 C ATOM 855 O ASP A 638 8.772 -5.074 6.212 1.00 0.00 O ATOM 856 CB ASP A 638 5.876 -3.973 7.426 1.00 0.00 C ATOM 857 CG ASP A 638 5.887 -5.431 7.850 1.00 0.00 C ATOM 858 OD1 ASP A 638 6.017 -6.315 6.979 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.748 -5.697 9.065 1.00 0.00 O ATOM 0 H ASP A 638 6.272 -1.632 6.726 1.00 0.00 H new ATOM 0 HA ASP A 638 7.891 -3.547 8.029 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.414 -3.374 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 638 5.257 -3.863 6.536 1.00 0.00 H new ATOM 864 N MET A 639 7.504 -3.886 4.774 1.00 0.00 N ATOM 865 CA MET A 639 8.037 -4.541 3.583 1.00 0.00 C ATOM 866 C MET A 639 9.523 -4.237 3.450 1.00 0.00 C ATOM 867 O MET A 639 10.293 -5.091 3.048 1.00 0.00 O ATOM 868 CB MET A 639 7.307 -4.100 2.295 1.00 0.00 C ATOM 869 CG MET A 639 5.791 -4.296 2.312 1.00 0.00 C ATOM 870 SD MET A 639 5.300 -6.027 2.413 1.00 0.00 S ATOM 871 CE MET A 639 3.533 -5.898 2.135 1.00 0.00 C ATOM 0 H MET A 639 6.804 -3.169 4.582 1.00 0.00 H new ATOM 0 HA MET A 639 7.878 -5.613 3.704 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.520 -3.046 2.118 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.721 -4.655 1.453 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.371 -3.756 3.160 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.364 -3.856 1.411 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.149 -6.856 1.783 1.00 0.00 H new ATOM 0 HE2 MET A 639 3.037 -5.629 3.067 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.338 -5.131 1.385 1.00 0.00 H new ATOM 881 N TYR A 640 9.899 -3.005 3.787 1.00 0.00 N ATOM 882 CA TYR A 640 11.286 -2.536 3.655 1.00 0.00 C ATOM 883 C TYR A 640 12.275 -3.490 4.331 1.00 0.00 C ATOM 884 O TYR A 640 13.383 -3.682 3.834 1.00 0.00 O ATOM 885 CB TYR A 640 11.450 -1.107 4.208 1.00 0.00 C ATOM 886 CG TYR A 640 12.737 -0.420 3.784 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.171 -0.473 2.462 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.516 0.288 4.697 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.337 0.154 2.067 1.00 0.00 C ATOM 890 CE2 TYR A 640 14.681 0.918 4.304 1.00 0.00 C ATOM 891 CZ TYR A 640 15.086 0.847 2.991 1.00 0.00 C ATOM 892 OH TYR A 640 16.244 1.480 2.599 1.00 0.00 O ATOM 0 H TYR A 640 9.258 -2.303 4.158 1.00 0.00 H new ATOM 0 HA TYR A 640 11.515 -2.518 2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.604 -0.503 3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.413 -1.144 5.297 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.586 -1.014 1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.204 0.345 5.729 1.00 0.00 H new ATOM 0 HE1 TYR A 640 14.660 0.101 1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.272 1.464 5.025 1.00 0.00 H new ATOM 0 HH TYR A 640 17.012 0.901 2.786 1.00 0.00 H new ATOM 902 N GLU A 641 11.895 -4.072 5.466 1.00 0.00 N ATOM 903 CA GLU A 641 12.766 -5.052 6.129 1.00 0.00 C ATOM 904 C GLU A 641 12.912 -6.311 5.268 1.00 0.00 C ATOM 905 O GLU A 641 14.019 -6.796 5.034 1.00 0.00 O ATOM 906 CB GLU A 641 12.260 -5.416 7.532 1.00 0.00 C ATOM 907 CG GLU A 641 12.775 -4.467 8.637 1.00 0.00 C ATOM 908 CD GLU A 641 12.179 -3.075 8.552 1.00 0.00 C ATOM 909 OE1 GLU A 641 12.733 -2.227 7.819 1.00 0.00 O ATOM 910 OE2 GLU A 641 11.173 -2.815 9.244 1.00 0.00 O ATOM 0 H GLU A 641 11.011 -3.891 5.941 1.00 0.00 H new ATOM 0 HA GLU A 641 13.745 -4.588 6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.170 -5.403 7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.566 -6.435 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.544 -4.896 9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.861 -4.396 8.569 1.00 0.00 H new ATOM 917 N SER A 642 11.780 -6.830 4.812 1.00 0.00 N ATOM 918 CA SER A 642 11.740 -8.006 3.941 1.00 0.00 C ATOM 919 C SER A 642 12.399 -7.736 2.579 1.00 0.00 C ATOM 920 O SER A 642 13.016 -8.627 1.996 1.00 0.00 O ATOM 921 CB SER A 642 10.294 -8.452 3.749 1.00 0.00 C ATOM 922 OG SER A 642 9.653 -8.639 5.000 1.00 0.00 O ATOM 0 H SER A 642 10.860 -6.450 5.034 1.00 0.00 H new ATOM 0 HA SER A 642 12.309 -8.800 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.753 -7.706 3.166 1.00 0.00 H new ATOM 0 HB3 SER A 642 10.268 -9.381 3.180 1.00 0.00 H new ATOM 0 HG SER A 642 8.727 -8.923 4.854 1.00 0.00 H new ATOM 928 N ALA A 643 12.199 -6.516 2.076 1.00 0.00 N ATOM 929 CA ALA A 643 12.706 -6.012 0.781 1.00 0.00 C ATOM 930 C ALA A 643 14.209 -6.199 0.515 1.00 0.00 C ATOM 931 O ALA A 643 14.776 -5.497 -0.323 1.00 0.00 O ATOM 932 CB ALA A 643 12.365 -4.539 0.651 1.00 0.00 C ATOM 0 H ALA A 643 11.655 -5.814 2.577 1.00 0.00 H new ATOM 0 HA ALA A 643 12.209 -6.629 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.737 -4.162 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 643 11.283 -4.411 0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.830 -3.985 1.466 1.00 0.00 H new ATOM 938 N ASN A 644 14.852 -7.121 1.204 1.00 0.00 N ATOM 939 CA ASN A 644 16.288 -7.334 1.049 1.00 0.00 C ATOM 940 C ASN A 644 16.556 -8.117 -0.249 1.00 0.00 C ATOM 941 O ASN A 644 17.634 -8.678 -0.443 1.00 0.00 O ATOM 942 CB ASN A 644 16.862 -8.058 2.292 1.00 0.00 C ATOM 943 CG ASN A 644 18.341 -7.753 2.558 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.761 -7.666 3.715 1.00 0.00 O ATOM 945 ND2 ASN A 644 19.148 -7.625 1.507 1.00 0.00 N ATOM 0 H ASN A 644 14.406 -7.740 1.881 1.00 0.00 H new ATOM 0 HA ASN A 644 16.796 -6.373 0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 644 16.279 -7.774 3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.740 -9.133 2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 644 20.143 -7.450 1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 644 18.771 -7.702 0.562 1.00 0.00 H new ATOM 952 N SER A 645 15.562 -8.145 -1.147 1.00 0.00 N ATOM 953 CA SER A 645 15.703 -8.769 -2.449 1.00 0.00 C ATOM 954 C SER A 645 14.706 -8.135 -3.422 1.00 0.00 C ATOM 955 O SER A 645 13.548 -7.921 -3.058 1.00 0.00 O ATOM 956 CB SER A 645 15.474 -10.281 -2.352 1.00 0.00 C ATOM 957 OG SER A 645 16.439 -10.887 -1.506 1.00 0.00 O ATOM 0 H SER A 645 14.643 -7.734 -0.982 1.00 0.00 H new ATOM 0 HA SER A 645 16.717 -8.608 -2.816 1.00 0.00 H new ATOM 0 HB2 SER A 645 14.473 -10.477 -1.967 1.00 0.00 H new ATOM 0 HB3 SER A 645 15.526 -10.725 -3.346 1.00 0.00 H new ATOM 0 HG SER A 645 17.048 -10.201 -1.161 1.00 0.00 H new ATOM 963 N ARG A 646 15.155 -7.817 -4.635 1.00 0.00 N ATOM 964 CA ARG A 646 14.306 -7.134 -5.616 1.00 0.00 C ATOM 965 C ARG A 646 13.003 -7.890 -5.852 1.00 0.00 C ATOM 966 O ARG A 646 11.916 -7.312 -5.768 1.00 0.00 O ATOM 967 CB ARG A 646 15.045 -6.981 -6.949 1.00 0.00 C ATOM 968 CG ARG A 646 16.205 -6.000 -6.917 1.00 0.00 C ATOM 969 CD ARG A 646 15.729 -4.563 -6.786 1.00 0.00 C ATOM 970 NE ARG A 646 14.928 -4.130 -7.934 1.00 0.00 N ATOM 971 CZ ARG A 646 14.823 -2.860 -8.340 1.00 0.00 C ATOM 972 NH1 ARG A 646 15.539 -1.906 -7.753 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.023 -2.549 -9.353 1.00 0.00 N ATOM 0 H ARG A 646 16.099 -8.020 -4.964 1.00 0.00 H new ATOM 0 HA ARG A 646 14.070 -6.150 -5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.420 -7.957 -7.256 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.334 -6.659 -7.709 1.00 0.00 H new ATOM 0 HG2 ARG A 646 16.862 -6.242 -6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 646 16.795 -6.105 -7.828 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.138 -4.461 -5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 646 16.592 -3.906 -6.681 1.00 0.00 H new ATOM 0 HE ARG A 646 14.418 -4.842 -8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.172 -2.141 -6.989 1.00 0.00 H new ATOM 0 HH12 ARG A 646 15.455 -0.939 -8.067 1.00 0.00 H new ATOM 0 HH21 ARG A 646 13.487 -3.279 -9.823 1.00 0.00 H new ATOM 0 HH22 ARG A 646 13.944 -1.580 -9.662 1.00 0.00 H new ATOM 987 N ASP A 647 13.118 -9.185 -6.109 1.00 0.00 N ATOM 988 CA ASP A 647 11.958 -10.013 -6.418 1.00 0.00 C ATOM 989 C ASP A 647 10.994 -10.062 -5.238 1.00 0.00 C ATOM 990 O ASP A 647 9.775 -10.005 -5.416 1.00 0.00 O ATOM 991 CB ASP A 647 12.388 -11.431 -6.799 1.00 0.00 C ATOM 992 CG ASP A 647 11.230 -12.256 -7.321 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.727 -11.947 -8.423 1.00 0.00 O ATOM 994 OD2 ASP A 647 10.805 -13.205 -6.631 1.00 0.00 O ATOM 0 H ASP A 647 14.006 -9.688 -6.110 1.00 0.00 H new ATOM 0 HA ASP A 647 11.446 -9.562 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.168 -11.381 -7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 647 12.821 -11.924 -5.929 1.00 0.00 H new ATOM 999 N GLU A 648 11.553 -10.156 -4.033 1.00 0.00 N ATOM 1000 CA GLU A 648 10.748 -10.246 -2.819 1.00 0.00 C ATOM 1001 C GLU A 648 9.942 -8.968 -2.604 1.00 0.00 C ATOM 1002 O GLU A 648 8.742 -9.022 -2.329 1.00 0.00 O ATOM 1003 CB GLU A 648 11.634 -10.533 -1.596 1.00 0.00 C ATOM 1004 CG GLU A 648 10.835 -10.971 -0.379 1.00 0.00 C ATOM 1005 CD GLU A 648 11.701 -11.516 0.734 1.00 0.00 C ATOM 1006 OE1 GLU A 648 12.610 -12.323 0.450 1.00 0.00 O ATOM 1007 OE2 GLU A 648 11.477 -11.147 1.903 1.00 0.00 O ATOM 0 H GLU A 648 12.560 -10.172 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 648 10.050 -11.075 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.355 -11.310 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.204 -9.638 -1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 648 10.262 -10.123 -0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 648 10.116 -11.734 -0.679 1.00 0.00 H new ATOM 1014 N TYR A 649 10.605 -7.823 -2.754 1.00 0.00 N ATOM 1015 CA TYR A 649 9.966 -6.528 -2.536 1.00 0.00 C ATOM 1016 C TYR A 649 8.724 -6.376 -3.417 1.00 0.00 C ATOM 1017 O TYR A 649 7.648 -6.026 -2.930 1.00 0.00 O ATOM 1018 CB TYR A 649 10.957 -5.392 -2.820 1.00 0.00 C ATOM 1019 CG TYR A 649 10.550 -4.038 -2.262 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.485 -3.904 -1.373 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.249 -2.891 -2.617 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.131 -2.670 -0.863 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.902 -1.654 -2.108 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.843 -1.550 -1.231 1.00 0.00 C ATOM 1025 OH TYR A 649 9.493 -0.319 -0.723 1.00 0.00 O ATOM 0 H TYR A 649 11.586 -7.766 -3.026 1.00 0.00 H new ATOM 0 HA TYR A 649 9.654 -6.474 -1.493 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.928 -5.663 -2.405 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.085 -5.301 -3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 649 8.927 -4.780 -1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 649 12.079 -2.968 -3.304 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.300 -2.584 -0.179 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.457 -0.773 -2.396 1.00 0.00 H new ATOM 0 HH TYR A 649 10.093 -0.088 0.016 1.00 0.00 H new ATOM 1035 N TYR A 650 8.870 -6.662 -4.708 1.00 0.00 N ATOM 1036 CA TYR A 650 7.775 -6.567 -5.644 1.00 0.00 C ATOM 1037 C TYR A 650 6.671 -7.574 -5.327 1.00 0.00 C ATOM 1038 O TYR A 650 5.487 -7.255 -5.433 1.00 0.00 O ATOM 1039 CB TYR A 650 8.303 -6.775 -7.058 1.00 0.00 C ATOM 1040 CG TYR A 650 8.971 -5.554 -7.647 1.00 0.00 C ATOM 1041 CD1 TYR A 650 8.209 -4.542 -8.215 1.00 0.00 C ATOM 1042 CD2 TYR A 650 10.353 -5.414 -7.646 1.00 0.00 C ATOM 1043 CE1 TYR A 650 8.803 -3.426 -8.766 1.00 0.00 C ATOM 1044 CE2 TYR A 650 10.956 -4.298 -8.194 1.00 0.00 C ATOM 1045 CZ TYR A 650 10.175 -3.308 -8.754 1.00 0.00 C ATOM 1046 OH TYR A 650 10.769 -2.198 -9.310 1.00 0.00 O ATOM 0 H TYR A 650 9.751 -6.964 -5.125 1.00 0.00 H new ATOM 0 HA TYR A 650 7.334 -5.574 -5.561 1.00 0.00 H new ATOM 0 HB2 TYR A 650 9.016 -7.600 -7.052 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.477 -7.072 -7.704 1.00 0.00 H new ATOM 0 HD1 TYR A 650 7.133 -4.630 -8.226 1.00 0.00 H new ATOM 0 HD2 TYR A 650 10.966 -6.189 -7.210 1.00 0.00 H new ATOM 0 HE1 TYR A 650 8.195 -2.648 -9.205 1.00 0.00 H new ATOM 0 HE2 TYR A 650 12.032 -4.201 -8.184 1.00 0.00 H new ATOM 0 HH TYR A 650 10.118 -1.724 -9.869 1.00 0.00 H new ATOM 1056 N HIS A 651 7.064 -8.781 -4.920 1.00 0.00 N ATOM 1057 CA HIS A 651 6.111 -9.866 -4.706 1.00 0.00 C ATOM 1058 C HIS A 651 5.179 -9.545 -3.546 1.00 0.00 C ATOM 1059 O HIS A 651 3.968 -9.734 -3.643 1.00 0.00 O ATOM 1060 CB HIS A 651 6.845 -11.183 -4.437 1.00 0.00 C ATOM 1061 CG HIS A 651 5.933 -12.369 -4.347 1.00 0.00 C ATOM 1062 ND1 HIS A 651 5.759 -13.103 -3.195 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.148 -12.950 -5.282 1.00 0.00 C ATOM 1064 CE1 HIS A 651 4.909 -14.082 -3.426 1.00 0.00 C ATOM 1065 NE2 HIS A 651 4.522 -14.013 -4.685 1.00 0.00 N ATOM 0 H HIS A 651 8.035 -9.030 -4.732 1.00 0.00 H new ATOM 0 HA HIS A 651 5.515 -9.974 -5.612 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.572 -11.353 -5.231 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.405 -11.094 -3.506 1.00 0.00 H new ATOM 0 HD2 HIS A 651 5.035 -12.635 -6.309 1.00 0.00 H new ATOM 0 HE1 HIS A 651 4.583 -14.818 -2.706 1.00 0.00 H new ATOM 0 HE2 HIS A 651 3.865 -14.647 -5.140 1.00 0.00 H new ATOM 1074 N LEU A 652 5.759 -9.059 -2.455 1.00 0.00 N ATOM 1075 CA LEU A 652 4.999 -8.738 -1.254 1.00 0.00 C ATOM 1076 C LEU A 652 3.945 -7.678 -1.539 1.00 0.00 C ATOM 1077 O LEU A 652 2.774 -7.843 -1.199 1.00 0.00 O ATOM 1078 CB LEU A 652 5.940 -8.243 -0.158 1.00 0.00 C ATOM 1079 CG LEU A 652 6.958 -9.266 0.338 1.00 0.00 C ATOM 1080 CD1 LEU A 652 7.959 -8.605 1.267 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.256 -10.416 1.043 1.00 0.00 C ATOM 0 H LEU A 652 6.760 -8.878 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 652 4.494 -9.645 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.478 -7.371 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.341 -7.911 0.690 1.00 0.00 H new ATOM 0 HG LEU A 652 7.495 -9.666 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.679 -9.347 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.483 -7.812 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.435 -8.181 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 652 6.997 -11.136 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.695 -10.032 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.572 -10.905 0.349 1.00 0.00 H new ATOM 1093 N LEU A 653 4.365 -6.594 -2.176 1.00 0.00 N ATOM 1094 CA LEU A 653 3.455 -5.510 -2.512 1.00 0.00 C ATOM 1095 C LEU A 653 2.369 -5.984 -3.475 1.00 0.00 C ATOM 1096 O LEU A 653 1.185 -5.716 -3.257 1.00 0.00 O ATOM 1097 CB LEU A 653 4.224 -4.333 -3.114 1.00 0.00 C ATOM 1098 CG LEU A 653 5.056 -3.527 -2.116 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.261 -2.923 -2.807 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.220 -2.424 -1.482 1.00 0.00 C ATOM 0 H LEU A 653 5.330 -6.443 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 653 2.972 -5.179 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.885 -4.711 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.513 -3.662 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 653 5.394 -4.203 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.845 -2.352 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.878 -3.719 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.928 -2.263 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.832 -1.864 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.855 -1.752 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.373 -2.866 -0.957 1.00 0.00 H new ATOM 1112 N ALA A 654 2.775 -6.703 -4.522 1.00 0.00 N ATOM 1113 CA ALA A 654 1.845 -7.177 -5.548 1.00 0.00 C ATOM 1114 C ALA A 654 0.792 -8.122 -4.972 1.00 0.00 C ATOM 1115 O ALA A 654 -0.408 -7.931 -5.188 1.00 0.00 O ATOM 1116 CB ALA A 654 2.610 -7.870 -6.665 1.00 0.00 C ATOM 0 H ALA A 654 3.746 -6.971 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 654 1.324 -6.306 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.909 -8.219 -7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.312 -7.168 -7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.158 -8.720 -6.258 1.00 0.00 H new ATOM 1122 N GLU A 655 1.245 -9.123 -4.221 1.00 0.00 N ATOM 1123 CA GLU A 655 0.334 -10.113 -3.634 1.00 0.00 C ATOM 1124 C GLU A 655 -0.634 -9.425 -2.676 1.00 0.00 C ATOM 1125 O GLU A 655 -1.829 -9.733 -2.638 1.00 0.00 O ATOM 1126 CB GLU A 655 1.097 -11.235 -2.904 1.00 0.00 C ATOM 1127 CG GLU A 655 0.211 -12.091 -2.021 1.00 0.00 C ATOM 1128 CD GLU A 655 0.993 -13.100 -1.218 1.00 0.00 C ATOM 1129 OE1 GLU A 655 1.405 -14.129 -1.791 1.00 0.00 O ATOM 1130 OE2 GLU A 655 1.199 -12.872 -0.008 1.00 0.00 O ATOM 0 H GLU A 655 2.230 -9.273 -4.003 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.225 -10.574 -4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.585 -11.872 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.884 -10.792 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.349 -11.448 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.518 -12.612 -2.641 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.099 -8.480 -1.916 1.00 0.00 N ATOM 1138 CA LYS A 656 -0.881 -7.698 -0.975 1.00 0.00 C ATOM 1139 C LYS A 656 -1.978 -6.897 -1.687 1.00 0.00 C ATOM 1140 O LYS A 656 -3.107 -6.815 -1.209 1.00 0.00 O ATOM 1141 CB LYS A 656 0.048 -6.751 -0.222 1.00 0.00 C ATOM 1142 CG LYS A 656 -0.674 -5.763 0.669 1.00 0.00 C ATOM 1143 CD LYS A 656 0.187 -4.550 0.975 1.00 0.00 C ATOM 1144 CE LYS A 656 0.534 -3.783 -0.294 1.00 0.00 C ATOM 1145 NZ LYS A 656 -0.681 -3.395 -1.061 1.00 0.00 N ATOM 0 H LYS A 656 0.891 -8.235 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.368 -8.379 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.735 -7.339 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 656 0.652 -6.201 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 656 -1.596 -5.442 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 656 -0.957 -6.253 1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 656 -0.340 -3.893 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 656 1.103 -4.868 1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 656 1.099 -2.888 -0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 656 1.179 -4.396 -0.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 -0.419 -2.722 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 -1.106 -4.242 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 -1.368 -2.949 -0.420 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.627 -6.283 -2.819 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.588 -5.497 -3.596 1.00 0.00 C ATOM 1161 C ILE A 657 -3.749 -6.371 -4.058 1.00 0.00 C ATOM 1162 O ILE A 657 -4.913 -5.986 -3.941 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.926 -4.822 -4.826 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.854 -3.828 -4.376 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.972 -4.115 -5.679 1.00 0.00 C ATOM 1166 CD1 ILE A 657 -0.079 -3.204 -5.517 1.00 0.00 C ATOM 0 H ILE A 657 -0.688 -6.314 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 657 -2.962 -4.712 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.454 -5.598 -5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.327 -3.036 -3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.156 -4.337 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.487 -3.648 -6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.707 -4.840 -6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.471 -3.350 -5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.662 -2.511 -5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.425 -3.986 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.765 -2.665 -6.171 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.425 -7.556 -4.560 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.445 -8.495 -5.024 1.00 0.00 C ATOM 1180 C TYR A 658 -5.376 -8.891 -3.874 1.00 0.00 C ATOM 1181 O TYR A 658 -6.575 -9.065 -4.083 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.821 -9.738 -5.683 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.788 -10.542 -6.538 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -5.793 -9.919 -7.278 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.693 -11.927 -6.610 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -6.669 -10.654 -8.051 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.566 -12.664 -7.384 1.00 0.00 C ATOM 1188 CZ TYR A 658 -6.550 -12.025 -8.101 1.00 0.00 C ATOM 1189 OH TYR A 658 -7.421 -12.763 -8.870 1.00 0.00 O ATOM 0 H TYR A 658 -2.467 -7.892 -4.657 1.00 0.00 H new ATOM 0 HA TYR A 658 -5.036 -7.989 -5.788 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.981 -9.424 -6.302 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.418 -10.385 -4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -5.887 -8.844 -7.246 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -3.922 -12.435 -6.050 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -7.444 -10.156 -8.614 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.477 -13.739 -7.426 1.00 0.00 H new ATOM 0 HH TYR A 658 -7.198 -13.714 -8.795 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.823 -9.040 -2.662 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.633 -9.370 -1.487 1.00 0.00 C ATOM 1201 C LYS A 659 -6.762 -8.357 -1.301 1.00 0.00 C ATOM 1202 O LYS A 659 -7.911 -8.731 -1.059 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.768 -9.413 -0.221 1.00 0.00 C ATOM 1204 CG LYS A 659 -3.917 -10.667 -0.088 1.00 0.00 C ATOM 1205 CD LYS A 659 -4.777 -11.897 0.161 1.00 0.00 C ATOM 1206 CE LYS A 659 -3.937 -13.160 0.279 1.00 0.00 C ATOM 1207 NZ LYS A 659 -3.023 -13.132 1.452 1.00 0.00 N ATOM 0 H LYS A 659 -3.826 -8.938 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.067 -10.356 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -4.114 -8.541 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.417 -9.334 0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.331 -10.809 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.210 -10.543 0.732 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.354 -11.758 1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.492 -12.011 -0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -4.596 -14.024 0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.351 -13.288 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -2.588 -14.068 1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -2.279 -12.422 1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -3.562 -12.886 2.307 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.423 -7.079 -1.423 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.411 -6.008 -1.331 1.00 0.00 C ATOM 1223 C ILE A 660 -8.421 -6.094 -2.473 1.00 0.00 C ATOM 1224 O ILE A 660 -9.618 -5.872 -2.274 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.740 -4.609 -1.273 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.778 -4.090 0.161 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.394 -3.599 -2.220 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -6.159 -2.722 0.320 1.00 0.00 C ATOM 0 H ILE A 660 -5.469 -6.757 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.953 -6.143 -0.395 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.708 -4.724 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.814 -4.054 0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.256 -4.794 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.884 -2.639 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -7.321 -3.961 -3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.444 -3.476 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -6.220 -2.414 1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -5.114 -2.758 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -6.696 -2.005 -0.302 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.945 -6.445 -3.662 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.820 -6.527 -4.830 1.00 0.00 C ATOM 1242 C GLN A 661 -9.832 -7.647 -4.633 1.00 0.00 C ATOM 1243 O GLN A 661 -11.001 -7.517 -5.002 1.00 0.00 O ATOM 1244 CB GLN A 661 -8.042 -6.721 -6.143 1.00 0.00 C ATOM 1245 CG GLN A 661 -7.156 -5.531 -6.510 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.570 -5.644 -7.902 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -6.355 -6.742 -8.415 1.00 0.00 O ATOM 1248 NE2 GLN A 661 -6.298 -4.506 -8.518 1.00 0.00 N ATOM 0 H GLN A 661 -6.968 -6.676 -3.844 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.340 -5.573 -4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.422 -7.613 -6.060 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.750 -6.900 -6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.740 -4.613 -6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.346 -5.449 -5.785 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -6.492 -3.617 -8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -5.894 -4.517 -9.455 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.369 -8.741 -4.034 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.230 -9.871 -3.719 1.00 0.00 C ATOM 1259 C LYS A 662 -11.342 -9.439 -2.772 1.00 0.00 C ATOM 1260 O LYS A 662 -12.502 -9.819 -2.947 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.420 -11.005 -3.085 1.00 0.00 C ATOM 1262 CG LYS A 662 -8.433 -11.665 -4.032 1.00 0.00 C ATOM 1263 CD LYS A 662 -7.683 -12.797 -3.350 1.00 0.00 C ATOM 1264 CE LYS A 662 -6.754 -13.510 -4.317 1.00 0.00 C ATOM 1265 NZ LYS A 662 -6.045 -14.648 -3.678 1.00 0.00 N ATOM 0 H LYS A 662 -8.395 -8.866 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.673 -10.233 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.876 -10.613 -2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -10.108 -11.762 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -8.964 -12.051 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -7.722 -10.922 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -7.106 -12.401 -2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -8.396 -13.510 -2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -7.329 -13.874 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -6.023 -12.801 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -5.423 -15.105 -4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -5.475 -14.299 -2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -6.740 -15.339 -3.330 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.981 -8.641 -1.767 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.955 -8.089 -0.840 1.00 0.00 C ATOM 1281 C GLU A 663 -12.997 -7.248 -1.564 1.00 0.00 C ATOM 1282 O GLU A 663 -14.194 -7.407 -1.329 1.00 0.00 O ATOM 1283 CB GLU A 663 -11.259 -7.255 0.225 1.00 0.00 C ATOM 1284 CG GLU A 663 -10.740 -8.091 1.374 1.00 0.00 C ATOM 1285 CD GLU A 663 -11.555 -7.905 2.642 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -12.802 -7.898 2.558 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -10.955 -7.761 3.727 1.00 0.00 O ATOM 0 H GLU A 663 -10.017 -8.365 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.468 -8.923 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.429 -6.713 -0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.955 -6.509 0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -10.753 -9.143 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.701 -7.827 1.571 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.540 -6.370 -2.454 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.438 -5.477 -3.181 1.00 0.00 C ATOM 1296 C LEU A 664 -14.441 -6.268 -4.010 1.00 0.00 C ATOM 1297 O LEU A 664 -15.635 -5.970 -3.996 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.649 -4.519 -4.082 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.758 -3.518 -3.345 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.936 -2.705 -4.334 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -12.602 -2.598 -2.476 1.00 0.00 C ATOM 0 H LEU A 664 -11.554 -6.258 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.985 -4.889 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -12.026 -5.108 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.354 -3.966 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 664 -11.074 -4.073 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -10.308 -1.998 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.306 -3.374 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.604 -2.159 -5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -11.954 -1.891 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -13.307 -2.052 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -13.151 -3.191 -1.744 1.00 0.00 H new ATOM 1313 N GLU A 665 -13.965 -7.287 -4.714 1.00 0.00 N ATOM 1314 CA GLU A 665 -14.846 -8.114 -5.523 1.00 0.00 C ATOM 1315 C GLU A 665 -15.838 -8.862 -4.648 1.00 0.00 C ATOM 1316 O GLU A 665 -17.040 -8.823 -4.895 1.00 0.00 O ATOM 1317 CB GLU A 665 -14.042 -9.100 -6.367 1.00 0.00 C ATOM 1318 CG GLU A 665 -13.349 -8.452 -7.552 1.00 0.00 C ATOM 1319 CD GLU A 665 -14.332 -7.806 -8.508 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -14.935 -8.526 -9.331 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -14.506 -6.571 -8.445 1.00 0.00 O ATOM 0 H GLU A 665 -12.982 -7.558 -4.741 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.400 -7.456 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -13.294 -9.581 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -14.707 -9.884 -6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -12.647 -7.700 -7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -12.767 -9.203 -8.085 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.328 -9.509 -3.609 1.00 0.00 N ATOM 1329 CA GLU A 666 -16.149 -10.338 -2.738 1.00 0.00 C ATOM 1330 C GLU A 666 -17.275 -9.531 -2.084 1.00 0.00 C ATOM 1331 O GLU A 666 -18.436 -9.944 -2.106 1.00 0.00 O ATOM 1332 CB GLU A 666 -15.284 -10.987 -1.659 1.00 0.00 C ATOM 1333 CG GLU A 666 -16.003 -12.066 -0.870 1.00 0.00 C ATOM 1334 CD GLU A 666 -16.282 -13.308 -1.693 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -17.284 -13.330 -2.437 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -15.499 -14.277 -1.592 1.00 0.00 O ATOM 0 H GLU A 666 -14.343 -9.475 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.605 -11.112 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.399 -11.419 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.937 -10.216 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -15.401 -12.338 -0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.944 -11.667 -0.492 1.00 0.00 H new ATOM 1343 N LYS A 667 -16.939 -8.384 -1.500 1.00 0.00 N ATOM 1344 CA LYS A 667 -17.942 -7.577 -0.814 1.00 0.00 C ATOM 1345 C LYS A 667 -18.972 -7.014 -1.788 1.00 0.00 C ATOM 1346 O LYS A 667 -20.161 -6.983 -1.477 1.00 0.00 O ATOM 1347 CB LYS A 667 -17.313 -6.461 0.031 1.00 0.00 C ATOM 1348 CG LYS A 667 -16.419 -5.496 -0.728 1.00 0.00 C ATOM 1349 CD LYS A 667 -15.695 -4.540 0.216 1.00 0.00 C ATOM 1350 CE LYS A 667 -14.475 -5.180 0.884 1.00 0.00 C ATOM 1351 NZ LYS A 667 -14.819 -6.320 1.782 1.00 0.00 N ATOM 0 H LYS A 667 -15.995 -7.997 -1.488 1.00 0.00 H new ATOM 0 HA LYS A 667 -18.461 -8.245 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -18.113 -5.892 0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -16.730 -6.918 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -15.688 -6.057 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -17.018 -4.924 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -15.378 -3.657 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -16.389 -4.200 0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -13.790 -5.530 0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -13.946 -4.421 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -14.004 -6.542 2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -15.633 -6.061 2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -15.060 -7.153 1.208 1.00 0.00 H new ATOM 1365 N ARG A 668 -18.532 -6.585 -2.969 1.00 0.00 N ATOM 1366 CA ARG A 668 -19.444 -5.995 -3.934 1.00 0.00 C ATOM 1367 C ARG A 668 -20.280 -7.067 -4.599 1.00 0.00 C ATOM 1368 O ARG A 668 -21.341 -6.809 -5.149 1.00 0.00 O ATOM 1369 CB ARG A 668 -18.688 -5.167 -4.976 1.00 0.00 C ATOM 1370 CG ARG A 668 -17.938 -3.992 -4.376 1.00 0.00 C ATOM 1371 CD ARG A 668 -17.273 -3.129 -5.438 1.00 0.00 C ATOM 1372 NE ARG A 668 -16.297 -3.871 -6.237 1.00 0.00 N ATOM 1373 CZ ARG A 668 -15.310 -3.296 -6.927 1.00 0.00 C ATOM 1374 NH1 ARG A 668 -15.140 -1.979 -6.882 1.00 0.00 N ATOM 1375 NH2 ARG A 668 -14.487 -4.036 -7.663 1.00 0.00 N ATOM 0 H ARG A 668 -17.560 -6.636 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 668 -20.113 -5.321 -3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -17.982 -5.811 -5.500 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -19.394 -4.798 -5.719 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -18.629 -3.381 -3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -17.181 -4.362 -3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -18.037 -2.716 -6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -16.777 -2.286 -4.957 1.00 0.00 H new ATOM 0 HE ARG A 668 -16.376 -4.887 -6.268 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -15.765 -1.403 -6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -14.384 -1.544 -7.411 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -14.608 -5.048 -7.702 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -13.734 -3.592 -8.189 1.00 0.00 H new ATOM 1389 N ARG A 669 -19.764 -8.262 -4.533 1.00 0.00 N ATOM 1390 CA ARG A 669 -20.452 -9.460 -4.999 1.00 0.00 C ATOM 1391 C ARG A 669 -21.670 -9.755 -4.128 1.00 0.00 C ATOM 1392 O ARG A 669 -22.669 -10.304 -4.590 1.00 0.00 O ATOM 1393 CB ARG A 669 -19.477 -10.632 -4.942 1.00 0.00 C ATOM 1394 CG ARG A 669 -20.047 -11.973 -5.364 1.00 0.00 C ATOM 1395 CD ARG A 669 -19.028 -13.075 -5.124 1.00 0.00 C ATOM 1396 NE ARG A 669 -19.526 -14.395 -5.496 1.00 0.00 N ATOM 1397 CZ ARG A 669 -19.102 -15.528 -4.937 1.00 0.00 C ATOM 1398 NH1 ARG A 669 -18.222 -15.497 -3.939 1.00 0.00 N ATOM 1399 NH2 ARG A 669 -19.569 -16.693 -5.366 1.00 0.00 N ATOM 0 H ARG A 669 -18.837 -8.447 -4.149 1.00 0.00 H new ATOM 0 HA ARG A 669 -20.797 -9.306 -6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 669 -18.622 -10.403 -5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 669 -19.101 -10.721 -3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 669 -20.958 -12.182 -4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 669 -20.321 -11.944 -6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 669 -18.124 -12.859 -5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 669 -18.747 -13.081 -4.071 1.00 0.00 H new ATOM 0 HE ARG A 669 -20.238 -14.454 -6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 669 -17.869 -14.603 -3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 669 -17.901 -16.367 -3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 669 -20.252 -16.721 -6.123 1.00 0.00 H new ATOM 0 HH22 ARG A 669 -19.245 -17.561 -4.939 1.00 0.00 H new ATOM 1413 N SER A 670 -21.577 -9.370 -2.863 1.00 0.00 N ATOM 1414 CA SER A 670 -22.627 -9.637 -1.891 1.00 0.00 C ATOM 1415 C SER A 670 -23.718 -8.559 -1.950 1.00 0.00 C ATOM 1416 O SER A 670 -24.598 -8.505 -1.088 1.00 0.00 O ATOM 1417 CB SER A 670 -22.015 -9.710 -0.486 1.00 0.00 C ATOM 1418 OG SER A 670 -22.934 -10.235 0.458 1.00 0.00 O ATOM 0 H SER A 670 -20.776 -8.866 -2.483 1.00 0.00 H new ATOM 0 HA SER A 670 -23.094 -10.593 -2.130 1.00 0.00 H new ATOM 0 HB2 SER A 670 -21.121 -10.334 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 670 -21.701 -8.714 -0.173 1.00 0.00 H new ATOM 0 HG SER A 670 -23.823 -9.855 0.296 1.00 0.00 H new ATOM 1424 N ARG A 671 -23.649 -7.702 -2.969 1.00 0.00 N ATOM 1425 CA ARG A 671 -24.620 -6.628 -3.149 1.00 0.00 C ATOM 1426 C ARG A 671 -26.019 -7.182 -3.387 1.00 0.00 C ATOM 1427 O ARG A 671 -26.188 -8.349 -3.743 1.00 0.00 O ATOM 1428 CB ARG A 671 -24.223 -5.744 -4.335 1.00 0.00 C ATOM 1429 CG ARG A 671 -24.292 -6.463 -5.675 1.00 0.00 C ATOM 1430 CD ARG A 671 -23.796 -5.583 -6.810 1.00 0.00 C ATOM 1431 NE ARG A 671 -23.717 -6.316 -8.073 1.00 0.00 N ATOM 1432 CZ ARG A 671 -22.573 -6.696 -8.641 1.00 0.00 C ATOM 1433 NH1 ARG A 671 -21.415 -6.455 -8.038 1.00 0.00 N ATOM 1434 NH2 ARG A 671 -22.586 -7.338 -9.801 1.00 0.00 N ATOM 0 H ARG A 671 -22.924 -7.734 -3.686 1.00 0.00 H new ATOM 0 HA ARG A 671 -24.627 -6.036 -2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -24.878 -4.873 -4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -23.209 -5.376 -4.181 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -23.693 -7.373 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -25.320 -6.767 -5.873 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -24.464 -4.730 -6.927 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -22.813 -5.186 -6.558 1.00 0.00 H new ATOM 0 HE ARG A 671 -24.589 -6.550 -8.547 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -21.399 -5.977 -7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -20.541 -6.747 -8.476 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -23.473 -7.542 -10.261 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -21.709 -7.628 -10.233 1.00 0.00 H new ATOM 1448 N LEU A 672 -27.016 -6.340 -3.196 1.00 0.00 N ATOM 1449 CA LEU A 672 -28.393 -6.721 -3.453 1.00 0.00 C ATOM 1450 C LEU A 672 -28.719 -6.499 -4.924 1.00 0.00 C ATOM 1451 O LEU A 672 -28.834 -7.495 -5.668 1.00 0.00 O ATOM 1452 CB LEU A 672 -29.349 -5.910 -2.569 1.00 0.00 C ATOM 1453 CG LEU A 672 -29.185 -6.130 -1.064 1.00 0.00 C ATOM 1454 CD1 LEU A 672 -30.126 -5.219 -0.291 1.00 0.00 C ATOM 1455 CD2 LEU A 672 -29.437 -7.587 -0.706 1.00 0.00 C ATOM 1456 OXT LEU A 672 -28.831 -5.325 -5.336 1.00 0.00 O ATOM 0 H LEU A 672 -26.898 -5.383 -2.862 1.00 0.00 H new ATOM 0 HA LEU A 672 -28.518 -7.777 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 672 -29.207 -4.851 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 672 -30.374 -6.157 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 672 -28.160 -5.883 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 672 -29.998 -5.387 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 672 -29.899 -4.179 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 672 -31.156 -5.438 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 672 -29.316 -7.724 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 672 -30.451 -7.862 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 672 -28.725 -8.220 -1.235 1.00 0.00 H new TER 1468 LEU A 672 ATOM 1469 N ASP B 840 3.131 -14.020 9.058 1.00 0.00 N ATOM 1470 CA ASP B 840 2.128 -13.528 8.118 1.00 0.00 C ATOM 1471 C ASP B 840 2.001 -12.016 8.250 1.00 0.00 C ATOM 1472 O ASP B 840 0.902 -11.474 8.379 1.00 0.00 O ATOM 1473 CB ASP B 840 0.760 -14.191 8.362 1.00 0.00 C ATOM 1474 CG ASP B 840 0.785 -15.696 8.194 1.00 0.00 C ATOM 1475 OD1 ASP B 840 0.761 -16.175 7.039 1.00 0.00 O ATOM 1476 OD2 ASP B 840 0.813 -16.411 9.219 1.00 0.00 O ATOM 0 HA ASP B 840 2.451 -13.784 7.109 1.00 0.00 H new ATOM 0 HB2 ASP B 840 0.422 -13.951 9.370 1.00 0.00 H new ATOM 0 HB3 ASP B 840 0.030 -13.767 7.672 1.00 0.00 H new ATOM 1481 N ALA B 841 3.140 -11.340 8.227 1.00 0.00 N ATOM 1482 CA ALA B 841 3.181 -9.902 8.435 1.00 0.00 C ATOM 1483 C ALA B 841 3.057 -9.147 7.120 1.00 0.00 C ATOM 1484 O ALA B 841 3.847 -9.354 6.198 1.00 0.00 O ATOM 1485 CB ALA B 841 4.466 -9.512 9.151 1.00 0.00 C ATOM 0 H ALA B 841 4.052 -11.768 8.065 1.00 0.00 H new ATOM 0 HA ALA B 841 2.329 -9.628 9.057 1.00 0.00 H new ATOM 0 HB1 ALA B 841 4.486 -8.433 9.301 1.00 0.00 H new ATOM 0 HB2 ALA B 841 4.511 -10.014 10.118 1.00 0.00 H new ATOM 0 HB3 ALA B 841 5.324 -9.810 8.548 1.00 0.00 H new ATOM 1491 N GLY B 842 2.055 -8.281 7.043 1.00 0.00 N ATOM 1492 CA GLY B 842 1.867 -7.441 5.875 1.00 0.00 C ATOM 1493 C GLY B 842 1.327 -8.201 4.693 1.00 0.00 C ATOM 1494 O GLY B 842 1.980 -8.330 3.659 1.00 0.00 O ATOM 0 H GLY B 842 1.361 -8.144 7.778 1.00 0.00 H new ATOM 0 HA2 GLY B 842 1.183 -6.629 6.123 1.00 0.00 H new ATOM 0 HA3 GLY B 842 2.819 -6.984 5.604 1.00 0.00 H new ATOM 1498 N ASN B 843 0.116 -8.687 4.848 1.00 0.00 N ATOM 1499 CA ASN B 843 -0.532 -9.470 3.808 1.00 0.00 C ATOM 1500 C ASN B 843 -1.869 -8.860 3.405 1.00 0.00 C ATOM 1501 O ASN B 843 -2.015 -8.340 2.298 1.00 0.00 O ATOM 1502 CB ASN B 843 -0.728 -10.919 4.269 1.00 0.00 C ATOM 1503 CG ASN B 843 0.572 -11.707 4.332 1.00 0.00 C ATOM 1504 OD1 ASN B 843 1.543 -11.345 3.505 1.00 0.00 O flip ATOM 1505 ND2 ASN B 843 0.703 -12.643 5.122 1.00 0.00 N flip ATOM 0 H ASN B 843 -0.447 -8.555 5.688 1.00 0.00 H new ATOM 0 HA ASN B 843 0.119 -9.463 2.934 1.00 0.00 H new ATOM 0 HB2 ASN B 843 -1.195 -10.920 5.254 1.00 0.00 H new ATOM 0 HB3 ASN B 843 -1.417 -11.420 3.589 1.00 0.00 H new ATOM 0 HD21 ASN B 843 -0.064 -12.896 5.745 1.00 0.00 H new ATOM 0 HD22 ASN B 843 1.579 -13.165 5.153 1.00 0.00 H new ATOM 1512 N ILE B 844 -2.840 -8.918 4.303 1.00 0.00 N ATOM 1513 CA ILE B 844 -4.172 -8.397 4.015 1.00 0.00 C ATOM 1514 C ILE B 844 -4.383 -7.070 4.739 1.00 0.00 C ATOM 1515 O ILE B 844 -3.884 -6.874 5.846 1.00 0.00 O ATOM 1516 CB ILE B 844 -5.294 -9.386 4.422 1.00 0.00 C ATOM 1517 CG1 ILE B 844 -4.905 -10.819 4.047 1.00 0.00 C ATOM 1518 CG2 ILE B 844 -6.603 -9.007 3.735 1.00 0.00 C ATOM 1519 CD1 ILE B 844 -5.970 -11.850 4.363 1.00 0.00 C ATOM 0 H ILE B 844 -2.734 -9.319 5.235 1.00 0.00 H new ATOM 0 HA ILE B 844 -4.231 -8.252 2.936 1.00 0.00 H new ATOM 0 HB ILE B 844 -5.429 -9.330 5.502 1.00 0.00 H new ATOM 0 HG12 ILE B 844 -4.682 -10.857 2.981 1.00 0.00 H new ATOM 0 HG13 ILE B 844 -3.989 -11.085 4.574 1.00 0.00 H new ATOM 0 HG21 ILE B 844 -7.384 -9.708 4.028 1.00 0.00 H new ATOM 0 HG22 ILE B 844 -6.891 -7.998 4.032 1.00 0.00 H new ATOM 0 HG23 ILE B 844 -6.470 -9.043 2.654 1.00 0.00 H new ATOM 0 HD11 ILE B 844 -5.618 -12.839 4.068 1.00 0.00 H new ATOM 0 HD12 ILE B 844 -6.177 -11.843 5.433 1.00 0.00 H new ATOM 0 HD13 ILE B 844 -6.882 -11.611 3.815 1.00 0.00 H new ATOM 1531 N LEU B 845 -5.115 -6.162 4.112 1.00 0.00 N ATOM 1532 CA LEU B 845 -5.365 -4.855 4.693 1.00 0.00 C ATOM 1533 C LEU B 845 -6.770 -4.817 5.288 1.00 0.00 C ATOM 1534 O LEU B 845 -7.653 -5.542 4.830 1.00 0.00 O ATOM 1535 CB LEU B 845 -5.190 -3.752 3.638 1.00 0.00 C ATOM 1536 CG LEU B 845 -3.797 -3.670 2.998 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -3.659 -4.668 1.854 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -3.505 -2.257 2.513 1.00 0.00 C ATOM 0 H LEU B 845 -5.546 -6.308 3.199 1.00 0.00 H new ATOM 0 HA LEU B 845 -4.641 -4.676 5.488 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -5.926 -3.907 2.849 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -5.416 -2.791 4.100 1.00 0.00 H new ATOM 0 HG LEU B 845 -3.064 -3.928 3.763 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -2.663 -4.588 1.419 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -3.809 -5.679 2.233 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.406 -4.452 1.091 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -2.513 -2.224 2.064 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -4.249 -1.966 1.771 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -3.544 -1.567 3.356 1.00 0.00 H new ATOM 1550 N PRO B 846 -6.980 -3.988 6.327 1.00 0.00 N ATOM 1551 CA PRO B 846 -8.262 -3.903 7.042 1.00 0.00 C ATOM 1552 C PRO B 846 -9.458 -3.686 6.117 1.00 0.00 C ATOM 1553 O PRO B 846 -9.456 -2.797 5.259 1.00 0.00 O ATOM 1554 CB PRO B 846 -8.080 -2.690 7.954 1.00 0.00 C ATOM 1555 CG PRO B 846 -6.613 -2.586 8.165 1.00 0.00 C ATOM 1556 CD PRO B 846 -5.977 -3.068 6.893 1.00 0.00 C ATOM 0 HA PRO B 846 -8.482 -4.833 7.566 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -8.478 -1.786 7.493 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -8.606 -2.824 8.899 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -6.322 -1.558 8.382 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -6.297 -3.193 9.014 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -5.763 -2.242 6.214 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -5.032 -3.575 7.085 1.00 0.00 H new ATOM 1564 N SER B 847 -10.480 -4.512 6.325 1.00 0.00 N ATOM 1565 CA SER B 847 -11.735 -4.435 5.593 1.00 0.00 C ATOM 1566 C SER B 847 -12.352 -3.042 5.717 1.00 0.00 C ATOM 1567 O SER B 847 -12.956 -2.539 4.774 1.00 0.00 O ATOM 1568 CB SER B 847 -12.702 -5.497 6.116 1.00 0.00 C ATOM 1569 OG SER B 847 -12.137 -6.795 5.997 1.00 0.00 O ATOM 0 H SER B 847 -10.457 -5.262 7.016 1.00 0.00 H new ATOM 0 HA SER B 847 -11.537 -4.621 4.537 1.00 0.00 H new ATOM 0 HB2 SER B 847 -12.942 -5.294 7.160 1.00 0.00 H new ATOM 0 HB3 SER B 847 -13.637 -5.450 5.558 1.00 0.00 H new ATOM 0 HG SER B 847 -11.776 -6.913 5.094 1.00 0.00 H new ATOM 1575 N ASP B 848 -12.206 -2.438 6.897 1.00 0.00 N ATOM 1576 CA ASP B 848 -12.794 -1.122 7.186 1.00 0.00 C ATOM 1577 C ASP B 848 -12.369 -0.056 6.171 1.00 0.00 C ATOM 1578 O ASP B 848 -13.183 0.769 5.758 1.00 0.00 O ATOM 1579 CB ASP B 848 -12.412 -0.652 8.592 1.00 0.00 C ATOM 1580 CG ASP B 848 -13.113 0.638 8.967 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -14.291 0.581 9.374 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -12.495 1.718 8.851 1.00 0.00 O ATOM 0 H ASP B 848 -11.683 -2.839 7.675 1.00 0.00 H new ATOM 0 HA ASP B 848 -13.875 -1.247 7.117 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -12.666 -1.427 9.315 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -11.333 -0.508 8.646 1.00 0.00 H new ATOM 1587 N ILE B 849 -11.097 -0.059 5.775 1.00 0.00 N ATOM 1588 CA ILE B 849 -10.615 0.906 4.785 1.00 0.00 C ATOM 1589 C ILE B 849 -11.315 0.653 3.452 1.00 0.00 C ATOM 1590 O ILE B 849 -11.671 1.584 2.729 1.00 0.00 O ATOM 1591 CB ILE B 849 -9.075 0.862 4.591 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -8.357 0.783 5.948 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -8.607 2.095 3.822 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -8.585 1.984 6.850 1.00 0.00 C ATOM 0 H ILE B 849 -10.389 -0.709 6.118 1.00 0.00 H new ATOM 0 HA ILE B 849 -10.853 1.901 5.160 1.00 0.00 H new ATOM 0 HB ILE B 849 -8.827 -0.031 4.017 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -8.689 -0.115 6.469 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -7.287 0.673 5.773 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -7.526 2.054 3.692 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -9.090 2.119 2.845 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.871 2.994 4.380 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -8.043 1.845 7.785 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -8.226 2.885 6.353 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -9.650 2.085 7.060 1.00 0.00 H new ATOM 1606 N MET B 850 -11.510 -0.623 3.146 1.00 0.00 N ATOM 1607 CA MET B 850 -12.244 -1.038 1.955 1.00 0.00 C ATOM 1608 C MET B 850 -13.688 -0.546 2.016 1.00 0.00 C ATOM 1609 O MET B 850 -14.264 -0.152 1.006 1.00 0.00 O ATOM 1610 CB MET B 850 -12.223 -2.567 1.815 1.00 0.00 C ATOM 1611 CG MET B 850 -10.831 -3.177 1.705 1.00 0.00 C ATOM 1612 SD MET B 850 -10.172 -3.189 0.023 1.00 0.00 S ATOM 1613 CE MET B 850 -9.799 -1.460 -0.262 1.00 0.00 C ATOM 0 H MET B 850 -11.166 -1.398 3.713 1.00 0.00 H new ATOM 0 HA MET B 850 -11.757 -0.596 1.086 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.729 -3.004 2.676 1.00 0.00 H new ATOM 0 HB3 MET B 850 -12.798 -2.845 0.932 1.00 0.00 H new ATOM 0 HG2 MET B 850 -10.149 -2.621 2.349 1.00 0.00 H new ATOM 0 HG3 MET B 850 -10.862 -4.200 2.081 1.00 0.00 H new ATOM 0 HE1 MET B 850 -9.018 -1.376 -1.018 1.00 0.00 H new ATOM 0 HE2 MET B 850 -10.696 -0.947 -0.608 1.00 0.00 H new ATOM 0 HE3 MET B 850 -9.456 -1.004 0.667 1.00 0.00 H new ATOM 1623 N ASP B 851 -14.279 -0.595 3.205 1.00 0.00 N ATOM 1624 CA ASP B 851 -15.635 -0.083 3.411 1.00 0.00 C ATOM 1625 C ASP B 851 -15.722 1.384 3.012 1.00 0.00 C ATOM 1626 O ASP B 851 -16.717 1.821 2.433 1.00 0.00 O ATOM 1627 CB ASP B 851 -16.084 -0.242 4.876 1.00 0.00 C ATOM 1628 CG ASP B 851 -16.345 -1.680 5.262 1.00 0.00 C ATOM 1629 OD1 ASP B 851 -17.224 -2.322 4.643 1.00 0.00 O ATOM 1630 OD2 ASP B 851 -15.690 -2.175 6.198 1.00 0.00 O ATOM 0 H ASP B 851 -13.843 -0.983 4.042 1.00 0.00 H new ATOM 0 HA ASP B 851 -16.301 -0.671 2.779 1.00 0.00 H new ATOM 0 HB2 ASP B 851 -15.317 0.171 5.532 1.00 0.00 H new ATOM 0 HB3 ASP B 851 -16.990 0.342 5.038 1.00 0.00 H new ATOM 1635 N PHE B 852 -14.673 2.139 3.328 1.00 0.00 N ATOM 1636 CA PHE B 852 -14.647 3.573 3.076 1.00 0.00 C ATOM 1637 C PHE B 852 -14.778 3.889 1.586 1.00 0.00 C ATOM 1638 O PHE B 852 -15.505 4.806 1.214 1.00 0.00 O ATOM 1639 CB PHE B 852 -13.363 4.195 3.641 1.00 0.00 C ATOM 1640 CG PHE B 852 -13.278 5.687 3.456 1.00 0.00 C ATOM 1641 CD1 PHE B 852 -14.230 6.523 4.020 1.00 0.00 C ATOM 1642 CD2 PHE B 852 -12.248 6.252 2.721 1.00 0.00 C ATOM 1643 CE1 PHE B 852 -14.155 7.893 3.852 1.00 0.00 C ATOM 1644 CE2 PHE B 852 -12.168 7.621 2.550 1.00 0.00 C ATOM 1645 CZ PHE B 852 -13.123 8.442 3.117 1.00 0.00 C ATOM 0 H PHE B 852 -13.825 1.776 3.762 1.00 0.00 H new ATOM 0 HA PHE B 852 -15.507 4.010 3.584 1.00 0.00 H new ATOM 0 HB2 PHE B 852 -13.297 3.966 4.705 1.00 0.00 H new ATOM 0 HB3 PHE B 852 -12.503 3.729 3.160 1.00 0.00 H new ATOM 0 HD1 PHE B 852 -15.039 6.099 4.597 1.00 0.00 H new ATOM 0 HD2 PHE B 852 -11.498 5.614 2.276 1.00 0.00 H new ATOM 0 HE1 PHE B 852 -14.903 8.534 4.295 1.00 0.00 H new ATOM 0 HE2 PHE B 852 -11.360 8.048 1.974 1.00 0.00 H new ATOM 0 HZ PHE B 852 -13.063 9.512 2.986 1.00 0.00 H new ATOM 1655 N VAL B 853 -14.084 3.137 0.733 1.00 0.00 N ATOM 1656 CA VAL B 853 -14.157 3.377 -0.709 1.00 0.00 C ATOM 1657 C VAL B 853 -15.568 3.095 -1.239 1.00 0.00 C ATOM 1658 O VAL B 853 -16.057 3.786 -2.134 1.00 0.00 O ATOM 1659 CB VAL B 853 -13.090 2.585 -1.515 1.00 0.00 C ATOM 1660 CG1 VAL B 853 -13.326 1.085 -1.461 1.00 0.00 C ATOM 1661 CG2 VAL B 853 -13.051 3.062 -2.959 1.00 0.00 C ATOM 0 H VAL B 853 -13.473 2.368 1.008 1.00 0.00 H new ATOM 0 HA VAL B 853 -13.931 4.433 -0.858 1.00 0.00 H new ATOM 0 HB VAL B 853 -12.125 2.779 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL B 853 -12.555 0.574 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL B 853 -13.287 0.748 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL B 853 -14.306 0.855 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL B 853 -12.298 2.497 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL B 853 -14.027 2.909 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL B 853 -12.799 4.122 -2.985 1.00 0.00 H new ATOM 1671 N LEU B 854 -16.209 2.060 -0.710 1.00 0.00 N ATOM 1672 CA LEU B 854 -17.605 1.781 -1.035 1.00 0.00 C ATOM 1673 C LEU B 854 -18.520 2.892 -0.515 1.00 0.00 C ATOM 1674 O LEU B 854 -19.488 3.269 -1.178 1.00 0.00 O ATOM 1675 CB LEU B 854 -18.050 0.421 -0.474 1.00 0.00 C ATOM 1676 CG LEU B 854 -17.866 -0.801 -1.397 1.00 0.00 C ATOM 1677 CD1 LEU B 854 -18.852 -0.773 -2.565 1.00 0.00 C ATOM 1678 CD2 LEU B 854 -16.438 -0.886 -1.917 1.00 0.00 C ATOM 0 H LEU B 854 -15.787 1.401 -0.056 1.00 0.00 H new ATOM 0 HA LEU B 854 -17.685 1.743 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU B 854 -17.500 0.237 0.449 1.00 0.00 H new ATOM 0 HB3 LEU B 854 -19.105 0.491 -0.208 1.00 0.00 H new ATOM 0 HG LEU B 854 -18.071 -1.690 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU B 854 -18.695 -1.648 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU B 854 -19.872 -0.781 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU B 854 -18.694 0.131 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU B 854 -16.338 -1.757 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU B 854 -16.202 0.016 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU B 854 -15.750 -0.978 -1.077 1.00 0.00 H new ATOM 1690 N LYS B 855 -18.214 3.409 0.674 1.00 0.00 N ATOM 1691 CA LYS B 855 -19.061 4.428 1.309 1.00 0.00 C ATOM 1692 C LYS B 855 -18.893 5.783 0.627 1.00 0.00 C ATOM 1693 O LYS B 855 -19.875 6.439 0.278 1.00 0.00 O ATOM 1694 CB LYS B 855 -18.740 4.554 2.808 1.00 0.00 C ATOM 1695 CG LYS B 855 -19.535 5.640 3.542 1.00 0.00 C ATOM 1696 CD LYS B 855 -19.036 5.806 4.968 1.00 0.00 C ATOM 1697 CE LYS B 855 -19.865 6.818 5.740 1.00 0.00 C ATOM 1698 NZ LYS B 855 -19.368 6.998 7.128 1.00 0.00 N ATOM 0 H LYS B 855 -17.392 3.144 1.217 1.00 0.00 H new ATOM 0 HA LYS B 855 -20.097 4.108 1.198 1.00 0.00 H new ATOM 0 HB2 LYS B 855 -18.931 3.595 3.289 1.00 0.00 H new ATOM 0 HB3 LYS B 855 -17.676 4.761 2.922 1.00 0.00 H new ATOM 0 HG2 LYS B 855 -19.445 6.586 3.008 1.00 0.00 H new ATOM 0 HG3 LYS B 855 -20.593 5.379 3.551 1.00 0.00 H new ATOM 0 HD2 LYS B 855 -19.068 4.844 5.479 1.00 0.00 H new ATOM 0 HD3 LYS B 855 -17.994 6.125 4.954 1.00 0.00 H new ATOM 0 HE2 LYS B 855 -19.845 7.776 5.220 1.00 0.00 H new ATOM 0 HE3 LYS B 855 -20.905 6.491 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 855 -19.960 7.696 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 855 -19.411 6.090 7.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 855 -18.384 7.334 7.104 1.00 0.00 H new ATOM 1712 N ASN B 856 -17.651 6.198 0.438 1.00 0.00 N ATOM 1713 CA ASN B 856 -17.361 7.477 -0.194 1.00 0.00 C ATOM 1714 C ASN B 856 -16.883 7.246 -1.620 1.00 0.00 C ATOM 1715 O ASN B 856 -15.953 6.478 -1.852 1.00 0.00 O ATOM 1716 CB ASN B 856 -16.288 8.227 0.610 1.00 0.00 C ATOM 1717 CG ASN B 856 -16.121 9.678 0.190 1.00 0.00 C ATOM 1718 OD1 ASN B 856 -16.361 10.048 -0.961 1.00 0.00 O ATOM 1719 ND2 ASN B 856 -15.708 10.518 1.127 1.00 0.00 N ATOM 0 H ASN B 856 -16.825 5.667 0.714 1.00 0.00 H new ATOM 0 HA ASN B 856 -18.268 8.081 -0.217 1.00 0.00 H new ATOM 0 HB2 ASN B 856 -16.546 8.191 1.668 1.00 0.00 H new ATOM 0 HB3 ASN B 856 -15.334 7.712 0.497 1.00 0.00 H new ATOM 0 HD21 ASN B 856 -15.579 11.505 0.906 1.00 0.00 H new ATOM 0 HD22 ASN B 856 -15.519 10.177 2.070 1.00 0.00 H new ATOM 1726 N THR B 857 -17.517 7.906 -2.571 1.00 0.00 N ATOM 1727 CA THR B 857 -17.158 7.761 -3.969 1.00 0.00 C ATOM 1728 C THR B 857 -17.426 9.063 -4.723 1.00 0.00 C ATOM 1729 O THR B 857 -18.554 9.556 -4.730 1.00 0.00 O ATOM 1730 CB THR B 857 -17.942 6.605 -4.630 1.00 0.00 C ATOM 1731 OG1 THR B 857 -17.735 5.390 -3.893 1.00 0.00 O ATOM 1732 CG2 THR B 857 -17.503 6.398 -6.070 1.00 0.00 C ATOM 0 H THR B 857 -18.288 8.552 -2.399 1.00 0.00 H new ATOM 0 HA THR B 857 -16.094 7.528 -4.018 1.00 0.00 H new ATOM 0 HB THR B 857 -19.000 6.868 -4.623 1.00 0.00 H new ATOM 0 HG1 THR B 857 -16.879 5.437 -3.419 1.00 0.00 H new ATOM 0 HG21 THR B 857 -18.072 5.578 -6.509 1.00 0.00 H new ATOM 0 HG22 THR B 857 -17.682 7.310 -6.640 1.00 0.00 H new ATOM 0 HG23 THR B 857 -16.440 6.157 -6.095 1.00 0.00 H new ATOM 1740 N PRO B 858 -16.384 9.647 -5.338 1.00 0.00 N ATOM 1741 CA PRO B 858 -16.508 10.885 -6.115 1.00 0.00 C ATOM 1742 C PRO B 858 -17.409 10.711 -7.332 1.00 0.00 C ATOM 1743 O PRO B 858 -16.925 10.201 -8.367 1.00 0.00 O ATOM 1744 CB PRO B 858 -15.072 11.190 -6.558 1.00 0.00 C ATOM 1745 CG PRO B 858 -14.202 10.374 -5.665 1.00 0.00 C ATOM 1746 CD PRO B 858 -15.000 9.155 -5.313 1.00 0.00 C ATOM 1747 OXT PRO B 858 -18.597 11.082 -7.251 1.00 0.00 O ATOM 0 HA PRO B 858 -16.961 11.684 -5.528 1.00 0.00 H new ATOM 0 HB2 PRO B 858 -14.919 10.926 -7.604 1.00 0.00 H new ATOM 0 HB3 PRO B 858 -14.848 12.252 -6.461 1.00 0.00 H new ATOM 0 HG2 PRO B 858 -13.274 10.101 -6.167 1.00 0.00 H new ATOM 0 HG3 PRO B 858 -13.928 10.933 -4.770 1.00 0.00 H new ATOM 0 HD2 PRO B 858 -14.845 8.350 -6.031 1.00 0.00 H new ATOM 0 HD3 PRO B 858 -14.728 8.764 -4.332 1.00 0.00 H new TER 1755 PRO B 858