USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 743 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 643 THR OG1 : rot 36:sc= 0.0787 USER MOD Set 1.2: A 648 THR OG1 : rot 110:sc= 1.02 USER MOD Set 1.3: A 710 ASN : amide:sc= 0.255 X(o=-1.1,f=-0.98) USER MOD Set 1.4: A 714 GLN : amide:sc= -2.42! C(o=-1.1!,f=-2.7!) USER MOD Set 2.1: A 693 TYR OH : rot 30:sc= 0.954 USER MOD Set 2.2: A 715 LYS NZ :NH3+ 156:sc= 1.24 (180deg=0.0737) USER MOD Set 3.1: A 665 TYR OH : rot 23:sc= -0.204 USER MOD Set 3.2: A 666 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 624 SER OG : rot 50:sc= 0.785 USER MOD Set 4.2: A 627 SER OG : rot -61:sc= 1.27 USER MOD Single : A 625 HIS : no HD1:sc= -0.317 K(o=-0.32,f=-1.2) USER MOD Single : A 626 MET CE :methyl -162:sc= -0.0964 (180deg=-0.538) USER MOD Single : A 631 CYS SG : rot -60:sc= -5.34! USER MOD Single : A 632 GLN : amide:sc= 0.228 X(o=0.23,f=0) USER MOD Single : A 639 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 641 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 647 MET CE :methyl -138:sc= -0.159 (180deg=-0.69) USER MOD Single : A 650 CYS SG : rot 180:sc= -0.0105 USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 MET CE :methyl -156:sc=-0.00243 (180deg=-0.617) USER MOD Single : A 660 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 667 MET CE :methyl 138:sc= -0.761 (180deg=-2.35!) USER MOD Single : A 674 MET CE :methyl -172:sc= -0.265 (180deg=-0.413) USER MOD Single : A 677 THR OG1 : rot -62:sc= 1.08 USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ -172:sc= 1.1 (180deg=1.03) USER MOD Single : A 687 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.31) USER MOD Single : A 689 SER OG : rot 73:sc= 1.12 USER MOD Single : A 694 THR OG1 : rot -84:sc= 1.24 USER MOD Single : A 695 GLN :FLIP amide:sc= -0.0711 F(o=-0.79,f=-0.071) USER MOD Single : A 701 MET CE :methyl -104:sc= -0.0901 (180deg=-2.59!) USER MOD Single : A 704 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 705 LYS NZ :NH3+ 148:sc= 2.3 (180deg=0.836) USER MOD Single : A 711 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 713 TYR OH : rot 55:sc= 1.29 USER MOD Single : A 722 GLN :FLIP amide:sc= 0.354 F(o=-1,f=0.35) USER MOD Single : A 723 MET CE :methyl -142:sc= -0.164 (180deg=-0.997) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 623 -20.827 -7.301 12.266 1.00 15.53 N ATOM 2 CA GLY A 623 -21.528 -6.003 12.125 1.00 15.09 C ATOM 3 C GLY A 623 -20.830 -5.082 11.149 1.00 14.39 C ATOM 4 O GLY A 623 -19.599 -5.083 11.059 1.00 14.22 O ATOM 0 HA2 GLY A 623 -22.550 -6.178 11.790 1.00 15.09 H new ATOM 0 HA3 GLY A 623 -21.591 -5.518 13.099 1.00 15.09 H new ATOM 10 N SER A 624 -21.609 -4.299 10.417 1.00 14.14 N ATOM 11 CA SER A 624 -21.067 -3.365 9.447 1.00 13.65 C ATOM 12 C SER A 624 -20.509 -2.138 10.158 1.00 12.93 C ATOM 13 O SER A 624 -21.257 -1.314 10.687 1.00 12.90 O ATOM 14 CB SER A 624 -22.148 -2.957 8.439 1.00 13.94 C ATOM 15 OG SER A 624 -21.633 -2.073 7.456 1.00 14.35 O ATOM 0 H SER A 624 -22.627 -4.294 10.479 1.00 14.14 H new ATOM 0 HA SER A 624 -20.257 -3.852 8.904 1.00 13.65 H new ATOM 0 HB2 SER A 624 -22.551 -3.847 7.955 1.00 13.94 H new ATOM 0 HB3 SER A 624 -22.975 -2.478 8.964 1.00 13.94 H new ATOM 0 HG SER A 624 -20.804 -2.442 7.086 1.00 14.35 H new ATOM 21 N HIS A 625 -19.190 -2.038 10.187 1.00 12.51 N ATOM 22 CA HIS A 625 -18.520 -0.914 10.818 1.00 11.96 C ATOM 23 C HIS A 625 -17.622 -0.218 9.804 1.00 11.32 C ATOM 24 O HIS A 625 -16.449 -0.571 9.660 1.00 11.18 O ATOM 25 CB HIS A 625 -17.705 -1.399 12.023 1.00 11.96 C ATOM 26 CG HIS A 625 -17.046 -0.301 12.803 1.00 12.45 C ATOM 27 ND1 HIS A 625 -15.722 -0.340 13.179 1.00 12.80 N ATOM 28 CD2 HIS A 625 -17.538 0.865 13.288 1.00 12.83 C ATOM 29 CE1 HIS A 625 -15.427 0.749 13.860 1.00 13.34 C ATOM 30 NE2 HIS A 625 -16.511 1.495 13.940 1.00 13.37 N ATOM 0 H HIS A 625 -18.559 -2.727 9.778 1.00 12.51 H new ATOM 0 HA HIS A 625 -19.264 -0.201 11.172 1.00 11.96 H new ATOM 0 HB2 HIS A 625 -18.361 -1.959 12.689 1.00 11.96 H new ATOM 0 HB3 HIS A 625 -16.939 -2.091 11.674 1.00 11.96 H new ATOM 0 HD2 HIS A 625 -18.549 1.229 13.181 1.00 12.83 H new ATOM 0 HE1 HIS A 625 -14.462 0.989 14.281 1.00 13.34 H new ATOM 0 HE2 HIS A 625 -16.575 2.397 14.412 1.00 13.37 H new ATOM 39 N MET A 626 -18.193 0.756 9.100 1.00 11.11 N ATOM 40 CA MET A 626 -17.485 1.495 8.057 1.00 10.60 C ATOM 41 C MET A 626 -17.175 0.577 6.877 1.00 9.72 C ATOM 42 O MET A 626 -16.052 0.096 6.715 1.00 9.78 O ATOM 43 CB MET A 626 -16.203 2.133 8.608 1.00 11.28 C ATOM 44 CG MET A 626 -15.440 2.971 7.593 1.00 11.91 C ATOM 45 SD MET A 626 -13.904 3.641 8.261 1.00 12.79 S ATOM 46 CE MET A 626 -14.532 4.718 9.546 1.00 13.30 C ATOM 0 H MET A 626 -19.159 1.055 9.236 1.00 11.11 H new ATOM 0 HA MET A 626 -18.131 2.301 7.707 1.00 10.60 H new ATOM 0 HB2 MET A 626 -16.460 2.761 9.461 1.00 11.28 H new ATOM 0 HB3 MET A 626 -15.548 1.345 8.978 1.00 11.28 H new ATOM 0 HG2 MET A 626 -15.216 2.360 6.718 1.00 11.91 H new ATOM 0 HG3 MET A 626 -16.073 3.791 7.255 1.00 11.91 H new ATOM 0 HE1 MET A 626 -13.760 5.432 9.832 1.00 13.30 H new ATOM 0 HE2 MET A 626 -15.405 5.256 9.176 1.00 13.30 H new ATOM 0 HE3 MET A 626 -14.814 4.122 10.414 1.00 13.30 H new ATOM 56 N SER A 627 -18.191 0.320 6.074 1.00 9.08 N ATOM 57 CA SER A 627 -18.052 -0.529 4.905 1.00 8.35 C ATOM 58 C SER A 627 -17.944 0.314 3.639 1.00 7.32 C ATOM 59 O SER A 627 -18.862 1.063 3.298 1.00 7.21 O ATOM 60 CB SER A 627 -19.242 -1.486 4.808 1.00 8.70 C ATOM 61 OG SER A 627 -19.287 -2.346 5.935 1.00 9.26 O ATOM 0 H SER A 627 -19.131 0.691 6.212 1.00 9.08 H new ATOM 0 HA SER A 627 -17.137 -1.113 5.006 1.00 8.35 H new ATOM 0 HB2 SER A 627 -20.169 -0.916 4.742 1.00 8.70 H new ATOM 0 HB3 SER A 627 -19.166 -2.078 3.896 1.00 8.70 H new ATOM 0 HG SER A 627 -18.471 -2.888 5.966 1.00 9.26 H new ATOM 67 N PRO A 628 -16.809 0.204 2.928 1.00 6.76 N ATOM 68 CA PRO A 628 -16.557 0.955 1.692 1.00 5.93 C ATOM 69 C PRO A 628 -17.308 0.379 0.496 1.00 5.48 C ATOM 70 O PRO A 628 -16.717 0.073 -0.540 1.00 5.24 O ATOM 71 CB PRO A 628 -15.048 0.802 1.507 1.00 5.90 C ATOM 72 CG PRO A 628 -14.739 -0.520 2.112 1.00 6.58 C ATOM 73 CD PRO A 628 -15.673 -0.668 3.281 1.00 7.14 C ATOM 0 HA PRO A 628 -16.895 1.989 1.758 1.00 5.93 H new ATOM 0 HB2 PRO A 628 -14.771 0.832 0.453 1.00 5.90 H new ATOM 0 HB3 PRO A 628 -14.502 1.605 2.003 1.00 5.90 H new ATOM 0 HG2 PRO A 628 -14.886 -1.324 1.390 1.00 6.58 H new ATOM 0 HG3 PRO A 628 -13.699 -0.568 2.435 1.00 6.58 H new ATOM 0 HD2 PRO A 628 -15.988 -1.703 3.414 1.00 7.14 H new ATOM 0 HD3 PRO A 628 -15.202 -0.356 4.213 1.00 7.14 H new ATOM 81 N ASP A 629 -18.616 0.247 0.652 1.00 5.68 N ATOM 82 CA ASP A 629 -19.467 -0.344 -0.375 1.00 5.52 C ATOM 83 C ASP A 629 -19.536 0.533 -1.617 1.00 4.87 C ATOM 84 O ASP A 629 -19.471 0.041 -2.744 1.00 4.76 O ATOM 85 CB ASP A 629 -20.879 -0.573 0.178 1.00 6.23 C ATOM 86 CG ASP A 629 -21.869 -0.986 -0.894 1.00 6.68 C ATOM 87 OD1 ASP A 629 -22.659 -0.132 -1.342 1.00 7.07 O ATOM 88 OD2 ASP A 629 -21.850 -2.167 -1.312 1.00 6.91 O ATOM 0 H ASP A 629 -19.118 0.544 1.489 1.00 5.68 H new ATOM 0 HA ASP A 629 -19.027 -1.300 -0.660 1.00 5.52 H new ATOM 0 HB2 ASP A 629 -20.842 -1.343 0.949 1.00 6.23 H new ATOM 0 HB3 ASP A 629 -21.229 0.341 0.657 1.00 6.23 H new ATOM 93 N ARG A 630 -19.657 1.832 -1.411 1.00 4.79 N ATOM 94 CA ARG A 630 -19.781 2.757 -2.525 1.00 4.57 C ATOM 95 C ARG A 630 -19.077 4.078 -2.250 1.00 4.10 C ATOM 96 O ARG A 630 -19.145 5.004 -3.057 1.00 4.34 O ATOM 97 CB ARG A 630 -21.251 2.987 -2.854 1.00 5.38 C ATOM 98 CG ARG A 630 -22.108 3.320 -1.647 1.00 5.89 C ATOM 99 CD ARG A 630 -23.579 3.307 -2.010 1.00 6.81 C ATOM 100 NE ARG A 630 -23.977 2.029 -2.599 1.00 7.37 N ATOM 101 CZ ARG A 630 -24.826 1.914 -3.618 1.00 8.27 C ATOM 102 NH1 ARG A 630 -25.386 2.996 -4.142 1.00 8.70 N ATOM 103 NH2 ARG A 630 -25.118 0.718 -4.111 1.00 8.95 N ATOM 0 H ARG A 630 -19.672 2.269 -0.489 1.00 4.79 H new ATOM 0 HA ARG A 630 -19.290 2.306 -3.387 1.00 4.57 H new ATOM 0 HB2 ARG A 630 -21.328 3.799 -3.577 1.00 5.38 H new ATOM 0 HB3 ARG A 630 -21.649 2.093 -3.334 1.00 5.38 H new ATOM 0 HG2 ARG A 630 -21.919 2.599 -0.851 1.00 5.89 H new ATOM 0 HG3 ARG A 630 -21.833 4.301 -1.260 1.00 5.89 H new ATOM 0 HD2 ARG A 630 -24.176 3.499 -1.118 1.00 6.81 H new ATOM 0 HD3 ARG A 630 -23.788 4.113 -2.713 1.00 6.81 H new ATOM 0 HE ARG A 630 -23.581 1.175 -2.206 1.00 7.37 H new ATOM 0 HH11 ARG A 630 -25.166 3.918 -3.764 1.00 8.70 H new ATOM 0 HH12 ARG A 630 -26.036 2.906 -4.923 1.00 8.70 H new ATOM 0 HH21 ARG A 630 -24.692 -0.117 -3.709 1.00 8.95 H new ATOM 0 HH22 ARG A 630 -25.769 0.633 -4.892 1.00 8.95 H new ATOM 117 N CYS A 631 -18.408 4.174 -1.114 1.00 3.77 N ATOM 118 CA CYS A 631 -17.563 5.322 -0.848 1.00 3.49 C ATOM 119 C CYS A 631 -16.198 5.080 -1.472 1.00 3.17 C ATOM 120 O CYS A 631 -15.398 4.299 -0.963 1.00 3.32 O ATOM 121 CB CYS A 631 -17.443 5.586 0.658 1.00 3.72 C ATOM 122 SG CYS A 631 -17.053 4.126 1.648 1.00 4.38 S ATOM 0 H CYS A 631 -18.433 3.478 -0.369 1.00 3.77 H new ATOM 0 HA CYS A 631 -18.012 6.211 -1.291 1.00 3.49 H new ATOM 0 HB2 CYS A 631 -16.670 6.337 0.822 1.00 3.72 H new ATOM 0 HB3 CYS A 631 -18.381 6.011 1.015 1.00 3.72 H new ATOM 0 HG CYS A 631 -17.989 3.236 1.497 1.00 4.38 H new ATOM 128 N GLN A 632 -15.957 5.708 -2.609 1.00 3.10 N ATOM 129 CA GLN A 632 -14.717 5.507 -3.338 1.00 3.01 C ATOM 130 C GLN A 632 -13.915 6.803 -3.401 1.00 2.97 C ATOM 131 O GLN A 632 -12.972 6.926 -4.181 1.00 2.93 O ATOM 132 CB GLN A 632 -15.013 4.990 -4.749 1.00 3.40 C ATOM 133 CG GLN A 632 -15.765 3.663 -4.773 1.00 3.70 C ATOM 134 CD GLN A 632 -14.926 2.490 -4.288 1.00 4.22 C ATOM 135 OE1 GLN A 632 -14.256 1.824 -5.077 1.00 4.67 O ATOM 136 NE2 GLN A 632 -14.950 2.231 -2.990 1.00 4.57 N ATOM 0 H GLN A 632 -16.604 6.362 -3.048 1.00 3.10 H new ATOM 0 HA GLN A 632 -14.120 4.763 -2.811 1.00 3.01 H new ATOM 0 HB2 GLN A 632 -15.597 5.738 -5.285 1.00 3.40 H new ATOM 0 HB3 GLN A 632 -14.073 4.874 -5.288 1.00 3.40 H new ATOM 0 HG2 GLN A 632 -16.656 3.746 -4.150 1.00 3.70 H new ATOM 0 HG3 GLN A 632 -16.104 3.463 -5.789 1.00 3.70 H new ATOM 0 HE21 GLN A 632 -15.517 2.805 -2.366 1.00 4.57 H new ATOM 0 HE22 GLN A 632 -14.401 1.458 -2.614 1.00 4.57 H new ATOM 145 N ASP A 633 -14.285 7.760 -2.557 1.00 3.23 N ATOM 146 CA ASP A 633 -13.611 9.056 -2.514 1.00 3.48 C ATOM 147 C ASP A 633 -12.163 8.902 -2.073 1.00 3.00 C ATOM 148 O ASP A 633 -11.287 9.650 -2.509 1.00 3.13 O ATOM 149 CB ASP A 633 -14.331 10.020 -1.565 1.00 4.11 C ATOM 150 CG ASP A 633 -15.666 10.493 -2.100 1.00 4.69 C ATOM 151 OD1 ASP A 633 -16.691 9.842 -1.807 1.00 5.22 O ATOM 152 OD2 ASP A 633 -15.698 11.515 -2.822 1.00 4.94 O ATOM 0 H ASP A 633 -15.051 7.663 -1.890 1.00 3.23 H new ATOM 0 HA ASP A 633 -13.635 9.468 -3.523 1.00 3.48 H new ATOM 0 HB2 ASP A 633 -14.485 9.528 -0.605 1.00 4.11 H new ATOM 0 HB3 ASP A 633 -13.693 10.884 -1.382 1.00 4.11 H new ATOM 157 N TRP A 634 -11.911 7.913 -1.224 1.00 2.60 N ATOM 158 CA TRP A 634 -10.579 7.705 -0.677 1.00 2.30 C ATOM 159 C TRP A 634 -9.618 7.174 -1.738 1.00 1.84 C ATOM 160 O TRP A 634 -8.405 7.302 -1.595 1.00 1.69 O ATOM 161 CB TRP A 634 -10.614 6.781 0.550 1.00 2.47 C ATOM 162 CG TRP A 634 -11.322 5.476 0.329 1.00 2.40 C ATOM 163 CD1 TRP A 634 -12.648 5.221 0.527 1.00 2.72 C ATOM 164 CD2 TRP A 634 -10.738 4.245 -0.108 1.00 2.37 C ATOM 165 NE1 TRP A 634 -12.926 3.913 0.224 1.00 2.82 N ATOM 166 CE2 TRP A 634 -11.771 3.291 -0.165 1.00 2.72 C ATOM 167 CE3 TRP A 634 -9.445 3.859 -0.465 1.00 2.38 C ATOM 168 CZ2 TRP A 634 -11.549 1.975 -0.561 1.00 3.15 C ATOM 169 CZ3 TRP A 634 -9.225 2.554 -0.855 1.00 2.88 C ATOM 170 CH2 TRP A 634 -10.271 1.626 -0.901 1.00 3.28 C ATOM 0 H TRP A 634 -12.611 7.245 -0.901 1.00 2.60 H new ATOM 0 HA TRP A 634 -10.207 8.676 -0.349 1.00 2.30 H new ATOM 0 HB2 TRP A 634 -9.590 6.576 0.863 1.00 2.47 H new ATOM 0 HB3 TRP A 634 -11.099 7.308 1.372 1.00 2.47 H new ATOM 0 HD1 TRP A 634 -13.372 5.944 0.872 1.00 2.72 H new ATOM 0 HE1 TRP A 634 -13.845 3.474 0.280 1.00 2.82 H new ATOM 0 HE3 TRP A 634 -8.632 4.569 -0.436 1.00 2.38 H new ATOM 0 HZ2 TRP A 634 -12.355 1.257 -0.598 1.00 3.15 H new ATOM 0 HZ3 TRP A 634 -8.228 2.243 -1.130 1.00 2.88 H new ATOM 0 HH2 TRP A 634 -10.065 0.612 -1.212 1.00 3.28 H new ATOM 181 N LEU A 635 -10.161 6.598 -2.809 1.00 1.89 N ATOM 182 CA LEU A 635 -9.336 6.171 -3.942 1.00 2.05 C ATOM 183 C LEU A 635 -8.651 7.380 -4.552 1.00 2.36 C ATOM 184 O LEU A 635 -7.466 7.348 -4.889 1.00 2.50 O ATOM 185 CB LEU A 635 -10.176 5.475 -5.026 1.00 2.45 C ATOM 186 CG LEU A 635 -10.576 4.016 -4.766 1.00 2.54 C ATOM 187 CD1 LEU A 635 -9.351 3.155 -4.515 1.00 2.83 C ATOM 188 CD2 LEU A 635 -11.548 3.913 -3.607 1.00 3.12 C ATOM 0 H LEU A 635 -11.159 6.417 -2.918 1.00 1.89 H new ATOM 0 HA LEU A 635 -8.599 5.460 -3.569 1.00 2.05 H new ATOM 0 HB2 LEU A 635 -11.087 6.055 -5.174 1.00 2.45 H new ATOM 0 HB3 LEU A 635 -9.619 5.512 -5.962 1.00 2.45 H new ATOM 0 HG LEU A 635 -11.077 3.645 -5.660 1.00 2.54 H new ATOM 0 HD11 LEU A 635 -9.661 2.126 -4.333 1.00 2.83 H new ATOM 0 HD12 LEU A 635 -8.698 3.189 -5.387 1.00 2.83 H new ATOM 0 HD13 LEU A 635 -8.814 3.531 -3.644 1.00 2.83 H new ATOM 0 HD21 LEU A 635 -11.813 2.868 -3.446 1.00 3.12 H new ATOM 0 HD22 LEU A 635 -11.083 4.312 -2.706 1.00 3.12 H new ATOM 0 HD23 LEU A 635 -12.448 4.485 -3.835 1.00 3.12 H new ATOM 200 N GLU A 636 -9.416 8.448 -4.686 1.00 2.71 N ATOM 201 CA GLU A 636 -8.910 9.695 -5.225 1.00 3.25 C ATOM 202 C GLU A 636 -8.058 10.405 -4.183 1.00 3.07 C ATOM 203 O GLU A 636 -6.971 10.898 -4.483 1.00 3.33 O ATOM 204 CB GLU A 636 -10.075 10.585 -5.652 1.00 3.85 C ATOM 205 CG GLU A 636 -10.960 9.955 -6.716 1.00 4.37 C ATOM 206 CD GLU A 636 -10.179 9.521 -7.938 1.00 4.88 C ATOM 207 OE1 GLU A 636 -9.882 8.315 -8.060 1.00 5.12 O ATOM 208 OE2 GLU A 636 -9.858 10.385 -8.783 1.00 5.37 O ATOM 0 H GLU A 636 -10.402 8.475 -4.425 1.00 2.71 H new ATOM 0 HA GLU A 636 -8.291 9.483 -6.096 1.00 3.25 H new ATOM 0 HB2 GLU A 636 -10.682 10.820 -4.778 1.00 3.85 H new ATOM 0 HB3 GLU A 636 -9.682 11.529 -6.030 1.00 3.85 H new ATOM 0 HG2 GLU A 636 -11.474 9.092 -6.292 1.00 4.37 H new ATOM 0 HG3 GLU A 636 -11.728 10.669 -7.014 1.00 4.37 H new ATOM 215 N ALA A 637 -8.555 10.426 -2.952 1.00 2.79 N ATOM 216 CA ALA A 637 -7.862 11.071 -1.847 1.00 2.78 C ATOM 217 C ALA A 637 -6.470 10.486 -1.638 1.00 2.28 C ATOM 218 O ALA A 637 -5.519 11.216 -1.367 1.00 2.44 O ATOM 219 CB ALA A 637 -8.675 10.944 -0.574 1.00 2.89 C ATOM 0 H ALA A 637 -9.445 9.999 -2.694 1.00 2.79 H new ATOM 0 HA ALA A 637 -7.747 12.125 -2.099 1.00 2.78 H new ATOM 0 HB1 ALA A 637 -8.146 11.430 0.246 1.00 2.89 H new ATOM 0 HB2 ALA A 637 -9.645 11.420 -0.713 1.00 2.89 H new ATOM 0 HB3 ALA A 637 -8.819 9.890 -0.338 1.00 2.89 H new ATOM 225 N LEU A 638 -6.357 9.167 -1.774 1.00 1.83 N ATOM 226 CA LEU A 638 -5.085 8.474 -1.590 1.00 1.65 C ATOM 227 C LEU A 638 -4.055 8.912 -2.628 1.00 2.09 C ATOM 228 O LEU A 638 -2.849 8.815 -2.399 1.00 2.25 O ATOM 229 CB LEU A 638 -5.289 6.959 -1.682 1.00 1.61 C ATOM 230 CG LEU A 638 -4.040 6.113 -1.414 1.00 1.61 C ATOM 231 CD1 LEU A 638 -3.577 6.267 0.028 1.00 2.00 C ATOM 232 CD2 LEU A 638 -4.308 4.654 -1.739 1.00 1.99 C ATOM 0 H LEU A 638 -7.136 8.554 -2.012 1.00 1.83 H new ATOM 0 HA LEU A 638 -4.709 8.734 -0.601 1.00 1.65 H new ATOM 0 HB2 LEU A 638 -6.063 6.669 -0.972 1.00 1.61 H new ATOM 0 HB3 LEU A 638 -5.664 6.719 -2.677 1.00 1.61 H new ATOM 0 HG LEU A 638 -3.241 6.470 -2.063 1.00 1.61 H new ATOM 0 HD11 LEU A 638 -2.689 5.656 0.192 1.00 2.00 H new ATOM 0 HD12 LEU A 638 -3.340 7.313 0.224 1.00 2.00 H new ATOM 0 HD13 LEU A 638 -4.370 5.942 0.701 1.00 2.00 H new ATOM 0 HD21 LEU A 638 -3.411 4.067 -1.543 1.00 1.99 H new ATOM 0 HD22 LEU A 638 -5.125 4.287 -1.118 1.00 1.99 H new ATOM 0 HD23 LEU A 638 -4.581 4.560 -2.790 1.00 1.99 H new ATOM 244 N HIS A 639 -4.529 9.404 -3.761 1.00 2.51 N ATOM 245 CA HIS A 639 -3.639 9.813 -4.840 1.00 3.15 C ATOM 246 C HIS A 639 -3.056 11.195 -4.550 1.00 3.32 C ATOM 247 O HIS A 639 -2.100 11.628 -5.193 1.00 3.71 O ATOM 248 CB HIS A 639 -4.389 9.812 -6.173 1.00 3.69 C ATOM 249 CG HIS A 639 -3.489 9.791 -7.370 1.00 4.41 C ATOM 250 ND1 HIS A 639 -3.349 10.854 -8.230 1.00 4.97 N ATOM 251 CD2 HIS A 639 -2.685 8.814 -7.850 1.00 4.95 C ATOM 252 CE1 HIS A 639 -2.505 10.533 -9.189 1.00 5.62 C ATOM 253 NE2 HIS A 639 -2.082 9.301 -8.981 1.00 5.61 N ATOM 0 H HIS A 639 -5.522 9.530 -3.959 1.00 2.51 H new ATOM 0 HA HIS A 639 -2.817 9.101 -4.907 1.00 3.15 H new ATOM 0 HB2 HIS A 639 -5.047 8.944 -6.209 1.00 3.69 H new ATOM 0 HB3 HIS A 639 -5.025 10.696 -6.223 1.00 3.69 H new ATOM 0 HD2 HIS A 639 -2.544 7.833 -7.422 1.00 4.95 H new ATOM 0 HE1 HIS A 639 -2.209 11.171 -10.008 1.00 5.62 H new ATOM 0 HE2 HIS A 639 -1.416 8.794 -9.565 1.00 5.61 H new ATOM 262 N TRP A 640 -3.643 11.875 -3.574 1.00 3.17 N ATOM 263 CA TRP A 640 -3.172 13.186 -3.145 1.00 3.45 C ATOM 264 C TRP A 640 -2.700 13.124 -1.696 1.00 2.97 C ATOM 265 O TRP A 640 -2.418 14.150 -1.074 1.00 3.21 O ATOM 266 CB TRP A 640 -4.286 14.229 -3.279 1.00 3.97 C ATOM 267 CG TRP A 640 -4.763 14.428 -4.687 1.00 4.43 C ATOM 268 CD1 TRP A 640 -5.606 13.611 -5.386 1.00 4.57 C ATOM 269 CD2 TRP A 640 -4.436 15.514 -5.565 1.00 5.16 C ATOM 270 NE1 TRP A 640 -5.817 14.117 -6.643 1.00 5.35 N ATOM 271 CE2 TRP A 640 -5.113 15.284 -6.778 1.00 5.75 C ATOM 272 CE3 TRP A 640 -3.637 16.658 -5.447 1.00 5.54 C ATOM 273 CZ2 TRP A 640 -5.016 16.151 -7.863 1.00 6.72 C ATOM 274 CZ3 TRP A 640 -3.543 17.517 -6.527 1.00 6.48 C ATOM 275 CH2 TRP A 640 -4.229 17.261 -7.719 1.00 7.07 C ATOM 0 H TRP A 640 -4.455 11.536 -3.059 1.00 3.17 H new ATOM 0 HA TRP A 640 -2.339 13.478 -3.784 1.00 3.45 H new ATOM 0 HB2 TRP A 640 -5.130 13.927 -2.659 1.00 3.97 H new ATOM 0 HB3 TRP A 640 -3.928 15.182 -2.889 1.00 3.97 H new ATOM 0 HD1 TRP A 640 -6.042 12.700 -5.004 1.00 4.57 H new ATOM 0 HE1 TRP A 640 -6.404 13.693 -7.361 1.00 5.35 H new ATOM 0 HE3 TRP A 640 -3.105 16.866 -4.531 1.00 5.54 H new ATOM 0 HZ2 TRP A 640 -5.543 15.955 -8.785 1.00 6.72 H new ATOM 0 HZ3 TRP A 640 -2.929 18.402 -6.449 1.00 6.48 H new ATOM 0 HH2 TRP A 640 -4.136 17.954 -8.542 1.00 7.07 H new ATOM 286 N TYR A 641 -2.621 11.914 -1.165 1.00 2.48 N ATOM 287 CA TYR A 641 -2.330 11.711 0.246 1.00 2.29 C ATOM 288 C TYR A 641 -0.852 11.383 0.444 1.00 2.37 C ATOM 289 O TYR A 641 -0.484 10.231 0.674 1.00 2.80 O ATOM 290 CB TYR A 641 -3.207 10.582 0.796 1.00 2.57 C ATOM 291 CG TYR A 641 -3.631 10.778 2.233 1.00 2.91 C ATOM 292 CD1 TYR A 641 -2.955 10.140 3.266 1.00 3.42 C ATOM 293 CD2 TYR A 641 -4.696 11.602 2.557 1.00 3.41 C ATOM 294 CE1 TYR A 641 -3.331 10.318 4.581 1.00 4.14 C ATOM 295 CE2 TYR A 641 -5.079 11.785 3.872 1.00 4.25 C ATOM 296 CZ TYR A 641 -4.429 11.136 4.870 1.00 4.51 C ATOM 297 OH TYR A 641 -4.770 11.320 6.193 1.00 5.50 O ATOM 0 H TYR A 641 -2.755 11.052 -1.694 1.00 2.48 H new ATOM 0 HA TYR A 641 -2.551 12.629 0.790 1.00 2.29 H new ATOM 0 HB2 TYR A 641 -4.098 10.492 0.174 1.00 2.57 H new ATOM 0 HB3 TYR A 641 -2.664 9.641 0.713 1.00 2.57 H new ATOM 0 HD1 TYR A 641 -2.121 9.494 3.035 1.00 3.42 H new ATOM 0 HD2 TYR A 641 -5.235 12.109 1.770 1.00 3.41 H new ATOM 0 HE1 TYR A 641 -2.785 9.833 5.377 1.00 4.14 H new ATOM 0 HE2 TYR A 641 -5.899 12.447 4.106 1.00 4.25 H new ATOM 0 HH TYR A 641 -5.550 11.911 6.251 1.00 5.50 H new ATOM 307 N ASN A 642 -0.010 12.404 0.346 1.00 2.55 N ATOM 308 CA ASN A 642 1.431 12.223 0.491 1.00 2.95 C ATOM 309 C ASN A 642 1.821 12.213 1.964 1.00 2.85 C ATOM 310 O ASN A 642 1.979 13.265 2.586 1.00 3.27 O ATOM 311 CB ASN A 642 2.197 13.329 -0.242 1.00 3.71 C ATOM 312 CG ASN A 642 3.702 13.120 -0.196 1.00 4.38 C ATOM 313 OD1 ASN A 642 4.380 13.592 0.715 1.00 4.86 O ATOM 314 ND2 ASN A 642 4.234 12.409 -1.179 1.00 4.90 N ATOM 0 H ASN A 642 -0.299 13.366 0.167 1.00 2.55 H new ATOM 0 HA ASN A 642 1.695 11.264 0.046 1.00 2.95 H new ATOM 0 HB2 ASN A 642 1.870 13.367 -1.281 1.00 3.71 H new ATOM 0 HB3 ASN A 642 1.953 14.293 0.204 1.00 3.71 H new ATOM 0 HD21 ASN A 642 5.239 12.237 -1.198 1.00 4.90 H new ATOM 0 HD22 ASN A 642 3.638 12.034 -1.917 1.00 4.90 H new ATOM 321 N THR A 643 1.955 11.023 2.523 1.00 2.87 N ATOM 322 CA THR A 643 2.352 10.871 3.913 1.00 3.35 C ATOM 323 C THR A 643 3.498 9.879 4.044 1.00 3.70 C ATOM 324 O THR A 643 3.407 8.749 3.561 1.00 4.43 O ATOM 325 CB THR A 643 1.171 10.399 4.784 1.00 4.03 C ATOM 326 OG1 THR A 643 0.510 9.292 4.153 1.00 4.46 O ATOM 327 CG2 THR A 643 0.179 11.527 5.019 1.00 4.33 C ATOM 0 H THR A 643 1.794 10.143 2.033 1.00 2.87 H new ATOM 0 HA THR A 643 2.680 11.850 4.263 1.00 3.35 H new ATOM 0 HB THR A 643 1.565 10.084 5.750 1.00 4.03 H new ATOM 0 HG1 THR A 643 1.173 8.728 3.704 1.00 4.46 H new ATOM 0 HG21 THR A 643 -0.643 11.166 5.636 1.00 4.33 H new ATOM 0 HG22 THR A 643 0.679 12.351 5.527 1.00 4.33 H new ATOM 0 HG23 THR A 643 -0.211 11.874 4.062 1.00 4.33 H new ATOM 335 N ALA A 644 4.579 10.314 4.675 1.00 3.58 N ATOM 336 CA ALA A 644 5.702 9.439 4.958 1.00 4.14 C ATOM 337 C ALA A 644 5.962 9.382 6.458 1.00 5.22 C ATOM 338 O ALA A 644 5.705 8.368 7.099 1.00 5.98 O ATOM 339 CB ALA A 644 6.948 9.897 4.210 1.00 3.76 C ATOM 0 H ALA A 644 4.700 11.273 5.001 1.00 3.58 H new ATOM 0 HA ALA A 644 5.453 8.436 4.612 1.00 4.14 H new ATOM 0 HB1 ALA A 644 7.776 9.226 4.438 1.00 3.76 H new ATOM 0 HB2 ALA A 644 6.754 9.883 3.137 1.00 3.76 H new ATOM 0 HB3 ALA A 644 7.206 10.910 4.519 1.00 3.76 H new ATOM 345 N LEU A 645 6.441 10.485 7.022 1.00 5.58 N ATOM 346 CA LEU A 645 6.759 10.532 8.442 1.00 6.84 C ATOM 347 C LEU A 645 5.507 10.757 9.275 1.00 7.35 C ATOM 348 O LEU A 645 5.468 10.410 10.456 1.00 8.01 O ATOM 349 CB LEU A 645 7.781 11.630 8.732 1.00 7.29 C ATOM 350 CG LEU A 645 9.174 11.397 8.146 1.00 7.38 C ATOM 351 CD1 LEU A 645 10.076 12.583 8.439 1.00 7.91 C ATOM 352 CD2 LEU A 645 9.782 10.115 8.701 1.00 7.94 C ATOM 0 H LEU A 645 6.617 11.355 6.519 1.00 5.58 H new ATOM 0 HA LEU A 645 7.189 9.569 8.716 1.00 6.84 H new ATOM 0 HB2 LEU A 645 7.396 12.574 8.346 1.00 7.29 H new ATOM 0 HB3 LEU A 645 7.873 11.742 9.812 1.00 7.29 H new ATOM 0 HG LEU A 645 9.080 11.291 7.065 1.00 7.38 H new ATOM 0 HD11 LEU A 645 11.064 12.402 8.016 1.00 7.91 H new ATOM 0 HD12 LEU A 645 9.650 13.483 7.995 1.00 7.91 H new ATOM 0 HD13 LEU A 645 10.162 12.717 9.517 1.00 7.91 H new ATOM 0 HD21 LEU A 645 10.773 9.967 8.272 1.00 7.94 H new ATOM 0 HD22 LEU A 645 9.864 10.191 9.785 1.00 7.94 H new ATOM 0 HD23 LEU A 645 9.145 9.269 8.443 1.00 7.94 H new ATOM 364 N GLU A 646 4.490 11.340 8.660 1.00 7.22 N ATOM 365 CA GLU A 646 3.242 11.610 9.348 1.00 7.76 C ATOM 366 C GLU A 646 2.447 10.322 9.517 1.00 8.33 C ATOM 367 O GLU A 646 1.705 9.914 8.623 1.00 8.43 O ATOM 368 CB GLU A 646 2.424 12.653 8.582 1.00 7.59 C ATOM 369 CG GLU A 646 1.170 13.105 9.313 1.00 7.98 C ATOM 370 CD GLU A 646 0.473 14.259 8.621 1.00 8.43 C ATOM 371 OE1 GLU A 646 -0.651 14.058 8.116 1.00 8.62 O ATOM 372 OE2 GLU A 646 1.056 15.361 8.554 1.00 8.80 O ATOM 0 H GLU A 646 4.507 11.635 7.684 1.00 7.22 H new ATOM 0 HA GLU A 646 3.466 12.011 10.336 1.00 7.76 H new ATOM 0 HB2 GLU A 646 3.052 13.522 8.386 1.00 7.59 H new ATOM 0 HB3 GLU A 646 2.140 12.240 7.614 1.00 7.59 H new ATOM 0 HG2 GLU A 646 0.480 12.265 9.395 1.00 7.98 H new ATOM 0 HG3 GLU A 646 1.433 13.401 10.328 1.00 7.98 H new ATOM 379 N MET A 647 2.631 9.674 10.660 1.00 8.91 N ATOM 380 CA MET A 647 1.913 8.446 10.969 1.00 9.60 C ATOM 381 C MET A 647 0.430 8.734 11.133 1.00 9.81 C ATOM 382 O MET A 647 -0.006 9.265 12.156 1.00 10.24 O ATOM 383 CB MET A 647 2.468 7.792 12.236 1.00 10.34 C ATOM 384 CG MET A 647 3.860 7.210 12.058 1.00 10.82 C ATOM 385 SD MET A 647 4.498 6.452 13.564 1.00 11.51 S ATOM 386 CE MET A 647 4.554 7.868 14.661 1.00 12.08 C ATOM 0 H MET A 647 3.274 9.980 11.390 1.00 8.91 H new ATOM 0 HA MET A 647 2.050 7.752 10.140 1.00 9.60 H new ATOM 0 HB2 MET A 647 2.492 8.531 13.036 1.00 10.34 H new ATOM 0 HB3 MET A 647 1.790 7.000 12.554 1.00 10.34 H new ATOM 0 HG2 MET A 647 3.838 6.465 11.263 1.00 10.82 H new ATOM 0 HG3 MET A 647 4.540 7.999 11.737 1.00 10.82 H new ATOM 0 HE1 MET A 647 5.479 7.845 15.238 1.00 12.08 H new ATOM 0 HE2 MET A 647 4.516 8.785 14.073 1.00 12.08 H new ATOM 0 HE3 MET A 647 3.702 7.836 15.340 1.00 12.08 H new ATOM 396 N THR A 648 -0.331 8.404 10.111 1.00 9.65 N ATOM 397 CA THR A 648 -1.748 8.687 10.086 1.00 9.89 C ATOM 398 C THR A 648 -2.561 7.583 10.750 1.00 10.52 C ATOM 399 O THR A 648 -3.112 6.709 10.081 1.00 10.68 O ATOM 400 CB THR A 648 -2.223 8.899 8.639 1.00 9.58 C ATOM 401 OG1 THR A 648 -1.629 7.912 7.783 1.00 9.43 O ATOM 402 CG2 THR A 648 -1.854 10.291 8.152 1.00 9.40 C ATOM 0 H THR A 648 0.016 7.933 9.276 1.00 9.65 H new ATOM 0 HA THR A 648 -1.909 9.602 10.656 1.00 9.89 H new ATOM 0 HB THR A 648 -3.308 8.798 8.612 1.00 9.58 H new ATOM 0 HG1 THR A 648 -2.318 7.285 7.480 1.00 9.43 H new ATOM 0 HG21 THR A 648 -2.199 10.421 7.126 1.00 9.40 H new ATOM 0 HG22 THR A 648 -2.326 11.037 8.791 1.00 9.40 H new ATOM 0 HG23 THR A 648 -0.772 10.414 8.189 1.00 9.40 H new ATOM 410 N ASP A 649 -2.638 7.634 12.073 1.00 11.04 N ATOM 411 CA ASP A 649 -3.482 6.713 12.828 1.00 11.77 C ATOM 412 C ASP A 649 -4.915 7.229 12.827 1.00 11.96 C ATOM 413 O ASP A 649 -5.546 7.366 13.874 1.00 12.46 O ATOM 414 CB ASP A 649 -2.986 6.557 14.274 1.00 12.46 C ATOM 415 CG ASP A 649 -1.629 5.889 14.370 1.00 13.07 C ATOM 416 OD1 ASP A 649 -0.639 6.579 14.691 1.00 13.39 O ATOM 417 OD2 ASP A 649 -1.538 4.673 14.106 1.00 13.37 O ATOM 0 H ASP A 649 -2.126 8.304 12.648 1.00 11.04 H new ATOM 0 HA ASP A 649 -3.437 5.734 12.351 1.00 11.77 H new ATOM 0 HB2 ASP A 649 -2.934 7.540 14.742 1.00 12.46 H new ATOM 0 HB3 ASP A 649 -3.712 5.973 14.840 1.00 12.46 H new ATOM 422 N CYS A 650 -5.423 7.509 11.636 1.00 11.69 N ATOM 423 CA CYS A 650 -6.721 8.153 11.479 1.00 11.94 C ATOM 424 C CYS A 650 -7.843 7.126 11.373 1.00 12.07 C ATOM 425 O CYS A 650 -8.856 7.360 10.713 1.00 12.15 O ATOM 426 CB CYS A 650 -6.705 9.051 10.240 1.00 11.96 C ATOM 427 SG CYS A 650 -5.325 10.218 10.206 1.00 12.13 S ATOM 0 H CYS A 650 -4.952 7.298 10.756 1.00 11.69 H new ATOM 0 HA CYS A 650 -6.911 8.760 12.364 1.00 11.94 H new ATOM 0 HB2 CYS A 650 -6.662 8.425 9.349 1.00 11.96 H new ATOM 0 HB3 CYS A 650 -7.641 9.607 10.193 1.00 11.96 H new ATOM 0 HG CYS A 650 -5.389 10.935 9.123 1.00 12.13 H new ATOM 433 N ASP A 651 -7.661 5.990 12.026 1.00 12.25 N ATOM 434 CA ASP A 651 -8.681 4.958 12.049 1.00 12.49 C ATOM 435 C ASP A 651 -8.621 4.192 13.357 1.00 12.81 C ATOM 436 O ASP A 651 -7.556 3.731 13.767 1.00 12.82 O ATOM 437 CB ASP A 651 -8.519 3.997 10.871 1.00 12.51 C ATOM 438 CG ASP A 651 -9.636 2.975 10.822 1.00 12.95 C ATOM 439 OD1 ASP A 651 -10.778 3.359 10.494 1.00 13.19 O ATOM 440 OD2 ASP A 651 -9.379 1.790 11.110 1.00 13.19 O ATOM 0 H ASP A 651 -6.815 5.760 12.547 1.00 12.25 H new ATOM 0 HA ASP A 651 -9.654 5.442 11.962 1.00 12.49 H new ATOM 0 HB2 ASP A 651 -8.503 4.563 9.940 1.00 12.51 H new ATOM 0 HB3 ASP A 651 -7.560 3.484 10.949 1.00 12.51 H new ATOM 445 N GLU A 652 -9.765 4.066 14.010 1.00 13.23 N ATOM 446 CA GLU A 652 -9.840 3.399 15.299 1.00 13.69 C ATOM 447 C GLU A 652 -10.182 1.923 15.139 1.00 13.73 C ATOM 448 O GLU A 652 -10.962 1.368 15.916 1.00 14.19 O ATOM 449 CB GLU A 652 -10.880 4.086 16.182 1.00 14.37 C ATOM 450 CG GLU A 652 -10.538 5.529 16.518 1.00 14.63 C ATOM 451 CD GLU A 652 -9.183 5.661 17.175 1.00 15.07 C ATOM 452 OE1 GLU A 652 -8.348 6.439 16.672 1.00 15.16 O ATOM 453 OE2 GLU A 652 -8.945 4.990 18.198 1.00 15.45 O ATOM 0 H GLU A 652 -10.658 4.419 13.666 1.00 13.23 H new ATOM 0 HA GLU A 652 -8.861 3.468 15.774 1.00 13.69 H new ATOM 0 HB2 GLU A 652 -11.846 4.059 15.679 1.00 14.37 H new ATOM 0 HB3 GLU A 652 -10.987 3.522 17.108 1.00 14.37 H new ATOM 0 HG2 GLU A 652 -10.557 6.126 15.606 1.00 14.63 H new ATOM 0 HG3 GLU A 652 -11.302 5.936 17.181 1.00 14.63 H new ATOM 460 N GLY A 653 -9.589 1.290 14.139 1.00 13.37 N ATOM 461 CA GLY A 653 -9.828 -0.119 13.907 1.00 13.46 C ATOM 462 C GLY A 653 -11.179 -0.383 13.277 1.00 12.98 C ATOM 463 O GLY A 653 -11.961 -1.193 13.778 1.00 13.22 O ATOM 0 H GLY A 653 -8.944 1.729 13.482 1.00 13.37 H new ATOM 0 HA2 GLY A 653 -9.046 -0.515 13.260 1.00 13.46 H new ATOM 0 HA3 GLY A 653 -9.761 -0.656 14.853 1.00 13.46 H new ATOM 467 N GLY A 654 -11.459 0.302 12.181 1.00 12.43 N ATOM 468 CA GLY A 654 -12.711 0.108 11.486 1.00 12.06 C ATOM 469 C GLY A 654 -12.529 -0.680 10.208 1.00 11.36 C ATOM 470 O GLY A 654 -11.909 -1.746 10.219 1.00 11.43 O ATOM 0 H GLY A 654 -10.838 0.992 11.759 1.00 12.43 H new ATOM 0 HA2 GLY A 654 -13.411 -0.414 12.138 1.00 12.06 H new ATOM 0 HA3 GLY A 654 -13.152 1.078 11.255 1.00 12.06 H new ATOM 474 N GLU A 655 -13.049 -0.138 9.114 1.00 10.85 N ATOM 475 CA GLU A 655 -12.930 -0.743 7.790 1.00 10.24 C ATOM 476 C GLU A 655 -13.497 -2.163 7.758 1.00 9.73 C ATOM 477 O GLU A 655 -12.772 -3.154 7.900 1.00 9.57 O ATOM 478 CB GLU A 655 -11.471 -0.729 7.329 1.00 10.26 C ATOM 479 CG GLU A 655 -11.282 -1.182 5.894 1.00 10.19 C ATOM 480 CD GLU A 655 -9.869 -0.969 5.406 1.00 10.69 C ATOM 481 OE1 GLU A 655 -9.061 -1.918 5.494 1.00 10.96 O ATOM 482 OE2 GLU A 655 -9.560 0.144 4.942 1.00 10.98 O ATOM 0 H GLU A 655 -13.569 0.740 9.119 1.00 10.85 H new ATOM 0 HA GLU A 655 -13.523 -0.145 7.098 1.00 10.24 H new ATOM 0 HB2 GLU A 655 -11.074 0.280 7.438 1.00 10.26 H new ATOM 0 HB3 GLU A 655 -10.886 -1.374 7.985 1.00 10.26 H new ATOM 0 HG2 GLU A 655 -11.536 -2.239 5.813 1.00 10.19 H new ATOM 0 HG3 GLU A 655 -11.972 -0.637 5.250 1.00 10.19 H new ATOM 489 N TYR A 656 -14.801 -2.253 7.573 1.00 9.64 N ATOM 490 CA TYR A 656 -15.461 -3.537 7.422 1.00 9.25 C ATOM 491 C TYR A 656 -15.716 -3.799 5.945 1.00 8.16 C ATOM 492 O TYR A 656 -16.817 -3.583 5.436 1.00 8.22 O ATOM 493 CB TYR A 656 -16.769 -3.573 8.220 1.00 10.13 C ATOM 494 CG TYR A 656 -17.447 -4.928 8.234 1.00 10.38 C ATOM 495 CD1 TYR A 656 -16.931 -5.978 8.983 1.00 10.66 C ATOM 496 CD2 TYR A 656 -18.606 -5.156 7.499 1.00 10.57 C ATOM 497 CE1 TYR A 656 -17.546 -7.214 8.999 1.00 11.10 C ATOM 498 CE2 TYR A 656 -19.227 -6.391 7.512 1.00 10.97 C ATOM 499 CZ TYR A 656 -18.689 -7.417 8.253 1.00 11.23 C ATOM 500 OH TYR A 656 -19.308 -8.647 8.275 1.00 11.80 O ATOM 0 H TYR A 656 -15.426 -1.449 7.524 1.00 9.64 H new ATOM 0 HA TYR A 656 -14.816 -4.322 7.816 1.00 9.25 H new ATOM 0 HB2 TYR A 656 -16.564 -3.270 9.247 1.00 10.13 H new ATOM 0 HB3 TYR A 656 -17.457 -2.838 7.802 1.00 10.13 H new ATOM 0 HD1 TYR A 656 -16.033 -5.825 9.563 1.00 10.66 H new ATOM 0 HD2 TYR A 656 -19.027 -4.356 6.909 1.00 10.57 H new ATOM 0 HE1 TYR A 656 -17.135 -8.017 9.592 1.00 11.10 H new ATOM 0 HE2 TYR A 656 -20.131 -6.549 6.943 1.00 10.97 H new ATOM 0 HH TYR A 656 -20.100 -8.625 7.698 1.00 11.80 H new ATOM 510 N ASP A 657 -14.673 -4.233 5.258 1.00 7.39 N ATOM 511 CA ASP A 657 -14.738 -4.507 3.832 1.00 6.44 C ATOM 512 C ASP A 657 -15.100 -5.965 3.587 1.00 6.09 C ATOM 513 O ASP A 657 -15.532 -6.668 4.505 1.00 6.31 O ATOM 514 CB ASP A 657 -13.392 -4.183 3.178 1.00 6.14 C ATOM 515 CG ASP A 657 -12.286 -5.115 3.634 1.00 5.90 C ATOM 516 OD1 ASP A 657 -11.866 -5.983 2.837 1.00 5.94 O ATOM 517 OD2 ASP A 657 -11.834 -4.985 4.786 1.00 6.00 O ATOM 0 H ASP A 657 -13.757 -4.405 5.673 1.00 7.39 H new ATOM 0 HA ASP A 657 -15.511 -3.879 3.389 1.00 6.44 H new ATOM 0 HB2 ASP A 657 -13.493 -4.247 2.095 1.00 6.14 H new ATOM 0 HB3 ASP A 657 -13.116 -3.155 3.412 1.00 6.14 H new ATOM 522 N GLY A 658 -14.920 -6.419 2.359 1.00 5.88 N ATOM 523 CA GLY A 658 -15.247 -7.787 2.022 1.00 5.75 C ATOM 524 C GLY A 658 -14.261 -8.779 2.605 1.00 4.80 C ATOM 525 O GLY A 658 -14.663 -9.771 3.215 1.00 5.02 O ATOM 0 H GLY A 658 -14.552 -5.863 1.587 1.00 5.88 H new ATOM 0 HA2 GLY A 658 -16.248 -8.018 2.386 1.00 5.75 H new ATOM 0 HA3 GLY A 658 -15.269 -7.896 0.938 1.00 5.75 H new ATOM 529 N MET A 659 -12.973 -8.477 2.449 1.00 3.98 N ATOM 530 CA MET A 659 -11.893 -9.390 2.817 1.00 3.13 C ATOM 531 C MET A 659 -12.104 -10.744 2.151 1.00 2.86 C ATOM 532 O MET A 659 -12.672 -11.665 2.740 1.00 2.97 O ATOM 533 CB MET A 659 -11.788 -9.535 4.337 1.00 2.88 C ATOM 534 CG MET A 659 -10.573 -10.334 4.779 1.00 2.45 C ATOM 535 SD MET A 659 -9.027 -9.614 4.193 1.00 2.41 S ATOM 536 CE MET A 659 -7.842 -10.755 4.895 1.00 2.25 C ATOM 0 H MET A 659 -12.649 -7.590 2.063 1.00 3.98 H new ATOM 0 HA MET A 659 -10.951 -8.972 2.463 1.00 3.13 H new ATOM 0 HB2 MET A 659 -11.747 -8.544 4.788 1.00 2.88 H new ATOM 0 HB3 MET A 659 -12.690 -10.019 4.713 1.00 2.88 H new ATOM 0 HG2 MET A 659 -10.555 -10.390 5.867 1.00 2.45 H new ATOM 0 HG3 MET A 659 -10.659 -11.355 4.408 1.00 2.45 H new ATOM 0 HE1 MET A 659 -6.878 -10.258 5.003 1.00 2.25 H new ATOM 0 HE2 MET A 659 -8.191 -11.086 5.873 1.00 2.25 H new ATOM 0 HE3 MET A 659 -7.734 -11.617 4.237 1.00 2.25 H new ATOM 546 N GLN A 660 -11.636 -10.855 0.915 1.00 3.00 N ATOM 547 CA GLN A 660 -11.911 -12.019 0.079 1.00 3.07 C ATOM 548 C GLN A 660 -11.033 -13.220 0.443 1.00 2.63 C ATOM 549 O GLN A 660 -10.325 -13.767 -0.406 1.00 3.22 O ATOM 550 CB GLN A 660 -11.728 -11.649 -1.393 1.00 3.99 C ATOM 551 CG GLN A 660 -12.583 -10.469 -1.830 1.00 4.68 C ATOM 552 CD GLN A 660 -12.403 -10.108 -3.294 1.00 5.55 C ATOM 553 OE1 GLN A 660 -11.213 -10.341 -3.827 1.00 6.02 O flip ATOM 554 NE2 GLN A 660 -13.331 -9.616 -3.941 1.00 6.10 N flip ATOM 0 H GLN A 660 -11.058 -10.146 0.464 1.00 3.00 H new ATOM 0 HA GLN A 660 -12.944 -12.318 0.257 1.00 3.07 H new ATOM 0 HB2 GLN A 660 -10.679 -11.415 -1.573 1.00 3.99 H new ATOM 0 HB3 GLN A 660 -11.972 -12.513 -2.010 1.00 3.99 H new ATOM 0 HG2 GLN A 660 -13.632 -10.701 -1.646 1.00 4.68 H new ATOM 0 HG3 GLN A 660 -12.336 -9.603 -1.216 1.00 4.68 H new ATOM 0 HE21 GLN A 660 -14.233 -9.452 -3.494 1.00 6.10 H new ATOM 0 HE22 GLN A 660 -13.196 -9.373 -4.923 1.00 6.10 H new ATOM 563 N ASP A 661 -11.105 -13.607 1.715 1.00 2.13 N ATOM 564 CA ASP A 661 -10.442 -14.805 2.251 1.00 2.09 C ATOM 565 C ASP A 661 -8.916 -14.706 2.192 1.00 1.75 C ATOM 566 O ASP A 661 -8.267 -14.473 3.213 1.00 1.98 O ATOM 567 CB ASP A 661 -10.934 -16.064 1.527 1.00 2.69 C ATOM 568 CG ASP A 661 -10.498 -17.344 2.213 1.00 3.26 C ATOM 569 OD1 ASP A 661 -10.597 -17.425 3.456 1.00 3.86 O ATOM 570 OD2 ASP A 661 -10.037 -18.271 1.514 1.00 3.59 O ATOM 0 H ASP A 661 -11.634 -13.091 2.418 1.00 2.13 H new ATOM 0 HA ASP A 661 -10.713 -14.875 3.304 1.00 2.09 H new ATOM 0 HB2 ASP A 661 -12.022 -16.042 1.467 1.00 2.69 H new ATOM 0 HB3 ASP A 661 -10.559 -16.059 0.504 1.00 2.69 H new ATOM 575 N GLU A 662 -8.349 -14.875 1.005 1.00 1.44 N ATOM 576 CA GLU A 662 -6.904 -14.835 0.831 1.00 1.24 C ATOM 577 C GLU A 662 -6.469 -13.481 0.276 1.00 1.00 C ATOM 578 O GLU A 662 -6.696 -13.183 -0.898 1.00 1.01 O ATOM 579 CB GLU A 662 -6.454 -15.953 -0.108 1.00 1.40 C ATOM 580 CG GLU A 662 -6.760 -17.343 0.421 1.00 1.93 C ATOM 581 CD GLU A 662 -6.025 -17.647 1.710 1.00 2.45 C ATOM 582 OE1 GLU A 662 -4.861 -18.096 1.651 1.00 2.64 O ATOM 583 OE2 GLU A 662 -6.607 -17.426 2.790 1.00 3.19 O ATOM 0 H GLU A 662 -8.871 -15.042 0.145 1.00 1.44 H new ATOM 0 HA GLU A 662 -6.436 -14.980 1.805 1.00 1.24 H new ATOM 0 HB2 GLU A 662 -6.942 -15.824 -1.074 1.00 1.40 H new ATOM 0 HB3 GLU A 662 -5.381 -15.865 -0.278 1.00 1.40 H new ATOM 0 HG2 GLU A 662 -7.833 -17.437 0.587 1.00 1.93 H new ATOM 0 HG3 GLU A 662 -6.488 -18.083 -0.332 1.00 1.93 H new ATOM 590 N PRO A 663 -5.850 -12.637 1.113 1.00 0.86 N ATOM 591 CA PRO A 663 -5.429 -11.301 0.700 1.00 0.68 C ATOM 592 C PRO A 663 -4.133 -11.320 -0.113 1.00 0.57 C ATOM 593 O PRO A 663 -3.099 -11.786 0.365 1.00 0.62 O ATOM 594 CB PRO A 663 -5.212 -10.586 2.033 1.00 0.69 C ATOM 595 CG PRO A 663 -4.815 -11.666 2.988 1.00 0.86 C ATOM 596 CD PRO A 663 -5.503 -12.925 2.518 1.00 0.97 C ATOM 0 HA PRO A 663 -6.160 -10.822 0.049 1.00 0.68 H new ATOM 0 HB2 PRO A 663 -4.436 -9.825 1.952 1.00 0.69 H new ATOM 0 HB3 PRO A 663 -6.120 -10.081 2.363 1.00 0.69 H new ATOM 0 HG2 PRO A 663 -3.733 -11.796 2.999 1.00 0.86 H new ATOM 0 HG3 PRO A 663 -5.117 -11.415 4.005 1.00 0.86 H new ATOM 0 HD2 PRO A 663 -4.847 -13.792 2.598 1.00 0.97 H new ATOM 0 HD3 PRO A 663 -6.391 -13.141 3.113 1.00 0.97 H new ATOM 604 N ARG A 664 -4.184 -10.799 -1.333 1.00 0.52 N ATOM 605 CA ARG A 664 -2.990 -10.727 -2.174 1.00 0.49 C ATOM 606 C ARG A 664 -2.105 -9.550 -1.762 1.00 0.35 C ATOM 607 O ARG A 664 -0.880 -9.626 -1.836 1.00 0.34 O ATOM 608 CB ARG A 664 -3.365 -10.616 -3.660 1.00 0.65 C ATOM 609 CG ARG A 664 -4.101 -9.336 -4.018 1.00 1.17 C ATOM 610 CD ARG A 664 -4.509 -9.300 -5.483 1.00 1.16 C ATOM 611 NE ARG A 664 -3.358 -9.250 -6.383 1.00 1.69 N ATOM 612 CZ ARG A 664 -3.302 -8.490 -7.479 1.00 2.17 C ATOM 613 NH1 ARG A 664 -4.339 -7.730 -7.824 1.00 2.20 N ATOM 614 NH2 ARG A 664 -2.214 -8.497 -8.235 1.00 3.16 N ATOM 0 H ARG A 664 -5.030 -10.423 -1.761 1.00 0.52 H new ATOM 0 HA ARG A 664 -2.429 -11.650 -2.031 1.00 0.49 H new ATOM 0 HB2 ARG A 664 -2.457 -10.680 -4.259 1.00 0.65 H new ATOM 0 HB3 ARG A 664 -3.987 -11.469 -3.932 1.00 0.65 H new ATOM 0 HG2 ARG A 664 -4.989 -9.242 -3.393 1.00 1.17 H new ATOM 0 HG3 ARG A 664 -3.464 -8.479 -3.798 1.00 1.17 H new ATOM 0 HD2 ARG A 664 -5.107 -10.182 -5.712 1.00 1.16 H new ATOM 0 HD3 ARG A 664 -5.142 -8.431 -5.659 1.00 1.16 H new ATOM 0 HE ARG A 664 -2.549 -9.831 -6.160 1.00 1.69 H new ATOM 0 HH11 ARG A 664 -5.182 -7.726 -7.250 1.00 2.20 H new ATOM 0 HH12 ARG A 664 -4.291 -7.151 -8.663 1.00 2.20 H new ATOM 0 HH21 ARG A 664 -1.419 -9.083 -7.980 1.00 3.16 H new ATOM 0 HH22 ARG A 664 -2.171 -7.916 -9.072 1.00 3.16 H new ATOM 628 N TYR A 665 -2.732 -8.473 -1.294 1.00 0.30 N ATOM 629 CA TYR A 665 -2.010 -7.254 -0.944 1.00 0.25 C ATOM 630 C TYR A 665 -1.024 -7.504 0.197 1.00 0.22 C ATOM 631 O TYR A 665 0.049 -6.908 0.239 1.00 0.22 O ATOM 632 CB TYR A 665 -2.995 -6.128 -0.585 1.00 0.27 C ATOM 633 CG TYR A 665 -3.984 -6.485 0.499 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.166 -7.153 0.203 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.733 -6.154 1.819 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.064 -7.483 1.199 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.625 -6.479 2.818 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.787 -7.145 2.505 1.00 0.64 C ATOM 639 OH TYR A 665 -6.667 -7.479 3.506 1.00 0.81 O ATOM 0 H TYR A 665 -3.740 -8.421 -1.149 1.00 0.30 H new ATOM 0 HA TYR A 665 -1.434 -6.940 -1.814 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.427 -5.253 -0.268 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.545 -5.843 -1.482 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.386 -7.418 -0.821 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -2.822 -5.632 2.071 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -6.978 -8.003 0.955 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -4.412 -6.212 3.843 1.00 0.56 H new ATOM 0 HH TYR A 665 -7.221 -8.233 3.216 1.00 0.81 H new ATOM 649 N MET A 666 -1.372 -8.420 1.093 1.00 0.25 N ATOM 650 CA MET A 666 -0.505 -8.749 2.218 1.00 0.28 C ATOM 651 C MET A 666 0.690 -9.557 1.746 1.00 0.25 C ATOM 652 O MET A 666 1.777 -9.447 2.300 1.00 0.25 O ATOM 653 CB MET A 666 -1.268 -9.519 3.300 1.00 0.37 C ATOM 654 CG MET A 666 -2.134 -8.634 4.185 1.00 0.48 C ATOM 655 SD MET A 666 -3.063 -9.573 5.411 1.00 1.17 S ATOM 656 CE MET A 666 -3.975 -8.262 6.225 1.00 1.14 C ATOM 0 H MET A 666 -2.245 -8.946 1.063 1.00 0.25 H new ATOM 0 HA MET A 666 -0.152 -7.814 2.653 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.899 -10.269 2.823 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.553 -10.054 3.925 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.502 -7.906 4.693 1.00 0.48 H new ATOM 0 HG3 MET A 666 -2.829 -8.072 3.561 1.00 0.48 H new ATOM 0 HE1 MET A 666 -4.598 -8.687 7.012 1.00 1.14 H new ATOM 0 HE2 MET A 666 -3.276 -7.549 6.661 1.00 1.14 H new ATOM 0 HE3 MET A 666 -4.606 -7.752 5.497 1.00 1.14 H new ATOM 666 N MET A 667 0.493 -10.344 0.697 1.00 0.26 N ATOM 667 CA MET A 667 1.579 -11.129 0.132 1.00 0.27 C ATOM 668 C MET A 667 2.523 -10.191 -0.607 1.00 0.23 C ATOM 669 O MET A 667 3.742 -10.256 -0.443 1.00 0.23 O ATOM 670 CB MET A 667 1.030 -12.207 -0.812 1.00 0.34 C ATOM 671 CG MET A 667 2.001 -13.349 -1.105 1.00 0.47 C ATOM 672 SD MET A 667 3.402 -12.863 -2.134 1.00 1.20 S ATOM 673 CE MET A 667 2.591 -12.600 -3.708 1.00 1.10 C ATOM 0 H MET A 667 -0.403 -10.455 0.223 1.00 0.26 H new ATOM 0 HA MET A 667 2.121 -11.637 0.929 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.121 -12.623 -0.378 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.747 -11.737 -1.754 1.00 0.34 H new ATOM 0 HG2 MET A 667 2.375 -13.747 -0.162 1.00 0.47 H new ATOM 0 HG3 MET A 667 1.461 -14.156 -1.600 1.00 0.47 H new ATOM 0 HE1 MET A 667 2.989 -11.700 -4.177 1.00 1.10 H new ATOM 0 HE2 MET A 667 2.770 -13.457 -4.357 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.519 -12.483 -3.550 1.00 1.10 H new ATOM 683 N LEU A 668 1.940 -9.291 -1.394 1.00 0.21 N ATOM 684 CA LEU A 668 2.709 -8.278 -2.116 1.00 0.19 C ATOM 685 C LEU A 668 3.477 -7.394 -1.135 1.00 0.17 C ATOM 686 O LEU A 668 4.627 -7.019 -1.384 1.00 0.17 O ATOM 687 CB LEU A 668 1.793 -7.409 -2.990 1.00 0.21 C ATOM 688 CG LEU A 668 1.466 -7.954 -4.390 1.00 0.30 C ATOM 689 CD1 LEU A 668 0.884 -9.356 -4.327 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.498 -7.021 -5.099 1.00 0.80 C ATOM 0 H LEU A 668 0.933 -9.242 -1.549 1.00 0.21 H new ATOM 0 HA LEU A 668 3.417 -8.795 -2.764 1.00 0.19 H new ATOM 0 HB2 LEU A 668 0.856 -7.256 -2.455 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.258 -6.430 -3.105 1.00 0.21 H new ATOM 0 HG LEU A 668 2.399 -8.007 -4.951 1.00 0.30 H new ATOM 0 HD11 LEU A 668 0.666 -9.705 -5.336 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.603 -10.028 -3.858 1.00 0.82 H new ATOM 0 HD13 LEU A 668 -0.035 -9.342 -3.742 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.272 -7.415 -6.090 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.423 -6.944 -4.521 1.00 0.80 H new ATOM 0 HD23 LEU A 668 0.949 -6.034 -5.196 1.00 0.80 H new ATOM 702 N ALA A 669 2.851 -7.095 -0.001 1.00 0.18 N ATOM 703 CA ALA A 669 3.472 -6.248 1.002 1.00 0.19 C ATOM 704 C ALA A 669 4.515 -7.028 1.790 1.00 0.20 C ATOM 705 O ALA A 669 5.536 -6.476 2.194 1.00 0.22 O ATOM 706 CB ALA A 669 2.424 -5.664 1.931 1.00 0.23 C ATOM 0 H ALA A 669 1.918 -7.427 0.243 1.00 0.18 H new ATOM 0 HA ALA A 669 3.974 -5.425 0.493 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.909 -5.032 2.675 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.718 -5.067 1.354 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.891 -6.472 2.432 1.00 0.23 H new ATOM 712 N ARG A 670 4.260 -8.319 1.995 1.00 0.22 N ATOM 713 CA ARG A 670 5.229 -9.195 2.638 1.00 0.26 C ATOM 714 C ARG A 670 6.464 -9.304 1.761 1.00 0.23 C ATOM 715 O ARG A 670 7.598 -9.290 2.247 1.00 0.25 O ATOM 716 CB ARG A 670 4.635 -10.584 2.871 1.00 0.33 C ATOM 717 CG ARG A 670 5.595 -11.548 3.548 1.00 0.41 C ATOM 718 CD ARG A 670 5.003 -12.941 3.676 1.00 0.83 C ATOM 719 NE ARG A 670 5.904 -13.850 4.385 1.00 1.62 N ATOM 720 CZ ARG A 670 5.673 -15.151 4.562 1.00 2.33 C ATOM 721 NH1 ARG A 670 4.575 -15.714 4.074 1.00 2.41 N ATOM 722 NH2 ARG A 670 6.549 -15.889 5.232 1.00 3.33 N ATOM 0 H ARG A 670 3.390 -8.778 1.724 1.00 0.22 H new ATOM 0 HA ARG A 670 5.498 -8.772 3.606 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.737 -10.489 3.482 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.326 -11.004 1.914 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.522 -11.599 2.976 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.851 -11.170 4.538 1.00 0.41 H new ATOM 0 HD2 ARG A 670 4.052 -12.885 4.206 1.00 0.83 H new ATOM 0 HD3 ARG A 670 4.792 -13.339 2.684 1.00 0.83 H new ATOM 0 HE ARG A 670 6.766 -13.463 4.769 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.899 -15.151 3.558 1.00 2.41 H new ATOM 0 HH12 ARG A 670 4.407 -16.710 4.215 1.00 2.41 H new ATOM 0 HH21 ARG A 670 7.394 -15.460 5.609 1.00 3.33 H new ATOM 0 HH22 ARG A 670 6.377 -16.885 5.370 1.00 3.33 H new ATOM 736 N GLU A 671 6.229 -9.376 0.456 1.00 0.22 N ATOM 737 CA GLU A 671 7.299 -9.430 -0.517 1.00 0.23 C ATOM 738 C GLU A 671 8.093 -8.133 -0.447 1.00 0.19 C ATOM 739 O GLU A 671 9.316 -8.139 -0.324 1.00 0.21 O ATOM 740 CB GLU A 671 6.703 -9.627 -1.916 1.00 0.30 C ATOM 741 CG GLU A 671 7.713 -10.017 -2.978 1.00 0.38 C ATOM 742 CD GLU A 671 8.386 -11.340 -2.682 1.00 0.99 C ATOM 743 OE1 GLU A 671 9.634 -11.399 -2.733 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.678 -12.313 -2.368 1.00 1.11 O ATOM 0 H GLU A 671 5.294 -9.398 0.050 1.00 0.22 H new ATOM 0 HA GLU A 671 7.965 -10.266 -0.304 1.00 0.23 H new ATOM 0 HB2 GLU A 671 5.933 -10.397 -1.864 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.211 -8.704 -2.221 1.00 0.30 H new ATOM 0 HG2 GLU A 671 7.214 -10.076 -3.945 1.00 0.38 H new ATOM 0 HG3 GLU A 671 8.471 -9.238 -3.057 1.00 0.38 H new ATOM 751 N ALA A 672 7.370 -7.020 -0.479 1.00 0.17 N ATOM 752 CA ALA A 672 7.974 -5.701 -0.342 1.00 0.18 C ATOM 753 C ALA A 672 8.770 -5.592 0.956 1.00 0.20 C ATOM 754 O ALA A 672 9.851 -5.005 0.991 1.00 0.23 O ATOM 755 CB ALA A 672 6.898 -4.631 -0.391 1.00 0.21 C ATOM 0 H ALA A 672 6.357 -7.006 -0.600 1.00 0.17 H new ATOM 0 HA ALA A 672 8.664 -5.553 -1.172 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.357 -3.648 -0.288 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.372 -4.688 -1.344 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.191 -4.788 0.424 1.00 0.21 H new ATOM 761 N GLU A 673 8.231 -6.170 2.019 1.00 0.22 N ATOM 762 CA GLU A 673 8.883 -6.151 3.317 1.00 0.28 C ATOM 763 C GLU A 673 10.179 -6.953 3.270 1.00 0.28 C ATOM 764 O GLU A 673 11.194 -6.543 3.839 1.00 0.31 O ATOM 765 CB GLU A 673 7.938 -6.711 4.380 1.00 0.34 C ATOM 766 CG GLU A 673 8.453 -6.575 5.801 1.00 0.70 C ATOM 767 CD GLU A 673 7.418 -6.999 6.820 1.00 1.08 C ATOM 768 OE1 GLU A 673 6.657 -6.132 7.299 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.345 -8.205 7.135 1.00 1.76 O ATOM 0 H GLU A 673 7.337 -6.661 2.006 1.00 0.22 H new ATOM 0 HA GLU A 673 9.130 -5.122 3.577 1.00 0.28 H new ATOM 0 HB2 GLU A 673 6.978 -6.200 4.303 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.756 -7.765 4.170 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.351 -7.182 5.921 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.741 -5.540 5.985 1.00 0.70 H new ATOM 776 N MET A 674 10.149 -8.081 2.566 1.00 0.27 N ATOM 777 CA MET A 674 11.340 -8.908 2.400 1.00 0.31 C ATOM 778 C MET A 674 12.304 -8.268 1.406 1.00 0.29 C ATOM 779 O MET A 674 13.477 -8.614 1.359 1.00 0.34 O ATOM 780 CB MET A 674 10.984 -10.324 1.928 1.00 0.36 C ATOM 781 CG MET A 674 10.133 -11.117 2.908 1.00 0.54 C ATOM 782 SD MET A 674 9.987 -12.857 2.445 1.00 0.60 S ATOM 783 CE MET A 674 9.245 -12.717 0.819 1.00 0.79 C ATOM 0 H MET A 674 9.315 -8.443 2.103 1.00 0.27 H new ATOM 0 HA MET A 674 11.820 -8.981 3.376 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.454 -10.255 0.978 1.00 0.36 H new ATOM 0 HB3 MET A 674 11.906 -10.874 1.739 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.569 -11.045 3.904 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.139 -10.674 2.962 1.00 0.54 H new ATOM 0 HE1 MET A 674 8.962 -13.707 0.462 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.359 -12.085 0.877 1.00 0.79 H new ATOM 0 HE3 MET A 674 9.962 -12.273 0.129 1.00 0.79 H new ATOM 793 N LEU A 675 11.805 -7.342 0.604 1.00 0.26 N ATOM 794 CA LEU A 675 12.657 -6.593 -0.312 1.00 0.27 C ATOM 795 C LEU A 675 13.281 -5.397 0.394 1.00 0.30 C ATOM 796 O LEU A 675 14.366 -4.948 0.030 1.00 0.39 O ATOM 797 CB LEU A 675 11.858 -6.118 -1.533 1.00 0.27 C ATOM 798 CG LEU A 675 11.944 -7.011 -2.778 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.354 -7.015 -3.333 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.497 -8.431 -2.470 1.00 0.47 C ATOM 0 H LEU A 675 10.817 -7.090 0.567 1.00 0.26 H new ATOM 0 HA LEU A 675 13.452 -7.258 -0.651 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.810 -6.029 -1.245 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.201 -5.119 -1.802 1.00 0.27 H new ATOM 0 HG LEU A 675 11.270 -6.599 -3.530 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.396 -7.653 -4.215 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.640 -5.999 -3.606 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.041 -7.395 -2.577 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.569 -9.039 -3.372 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.136 -8.854 -1.695 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.464 -8.420 -2.122 1.00 0.47 H new ATOM 812 N PHE A 676 12.591 -4.878 1.398 1.00 0.30 N ATOM 813 CA PHE A 676 13.088 -3.726 2.136 1.00 0.37 C ATOM 814 C PHE A 676 14.069 -4.155 3.227 1.00 0.42 C ATOM 815 O PHE A 676 15.174 -3.619 3.322 1.00 0.46 O ATOM 816 CB PHE A 676 11.923 -2.931 2.742 1.00 0.44 C ATOM 817 CG PHE A 676 12.324 -1.574 3.257 1.00 0.56 C ATOM 818 CD1 PHE A 676 12.303 -1.306 4.616 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.726 -0.574 2.386 1.00 0.69 C ATOM 820 CE1 PHE A 676 12.677 -0.066 5.098 1.00 0.78 C ATOM 821 CE2 PHE A 676 13.100 0.668 2.864 1.00 0.82 C ATOM 822 CZ PHE A 676 13.054 0.940 4.191 1.00 0.82 C ATOM 0 H PHE A 676 11.691 -5.233 1.719 1.00 0.30 H new ATOM 0 HA PHE A 676 13.621 -3.082 1.437 1.00 0.37 H new ATOM 0 HB2 PHE A 676 11.146 -2.809 1.988 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.487 -3.506 3.559 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.991 -2.075 5.307 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.747 -0.767 1.324 1.00 0.69 H new ATOM 0 HE1 PHE A 676 12.680 0.128 6.160 1.00 0.78 H new ATOM 0 HE2 PHE A 676 13.432 1.429 2.173 1.00 0.82 H new ATOM 0 HZ PHE A 676 13.306 1.927 4.551 1.00 0.82 H new ATOM 832 N THR A 677 13.672 -5.118 4.052 1.00 0.47 N ATOM 833 CA THR A 677 14.528 -5.584 5.136 1.00 0.57 C ATOM 834 C THR A 677 15.437 -6.724 4.682 1.00 0.65 C ATOM 835 O THR A 677 16.397 -7.081 5.367 1.00 0.89 O ATOM 836 CB THR A 677 13.693 -6.047 6.349 1.00 0.77 C ATOM 837 OG1 THR A 677 12.789 -7.095 5.966 1.00 1.45 O ATOM 838 CG2 THR A 677 12.903 -4.890 6.938 1.00 0.97 C ATOM 0 H THR A 677 12.769 -5.588 3.991 1.00 0.47 H new ATOM 0 HA THR A 677 15.148 -4.738 5.433 1.00 0.57 H new ATOM 0 HB THR A 677 14.384 -6.423 7.104 1.00 0.77 H new ATOM 0 HG1 THR A 677 12.162 -6.757 5.293 1.00 1.45 H new ATOM 0 HG21 THR A 677 12.323 -5.242 7.791 1.00 0.97 H new ATOM 0 HG22 THR A 677 13.590 -4.109 7.264 1.00 0.97 H new ATOM 0 HG23 THR A 677 12.229 -4.488 6.182 1.00 0.97 H new ATOM 846 N GLY A 678 15.139 -7.283 3.519 1.00 0.61 N ATOM 847 CA GLY A 678 15.891 -8.420 3.036 1.00 0.76 C ATOM 848 C GLY A 678 15.276 -9.722 3.498 1.00 1.01 C ATOM 849 O GLY A 678 14.186 -9.726 4.075 1.00 1.40 O ATOM 0 H GLY A 678 14.390 -6.969 2.902 1.00 0.61 H new ATOM 0 HA2 GLY A 678 15.927 -8.399 1.947 1.00 0.76 H new ATOM 0 HA3 GLY A 678 16.920 -8.355 3.390 1.00 0.76 H new ATOM 853 N GLY A 679 15.959 -10.828 3.260 1.00 1.33 N ATOM 854 CA GLY A 679 15.430 -12.108 3.662 1.00 1.95 C ATOM 855 C GLY A 679 16.133 -13.257 2.981 1.00 1.80 C ATOM 856 O GLY A 679 17.125 -13.052 2.279 1.00 2.07 O ATOM 0 H GLY A 679 16.867 -10.861 2.797 1.00 1.33 H new ATOM 0 HA2 GLY A 679 15.526 -12.215 4.742 1.00 1.95 H new ATOM 0 HA3 GLY A 679 14.366 -12.148 3.431 1.00 1.95 H new ATOM 860 N TYR A 680 15.607 -14.457 3.179 1.00 1.93 N ATOM 861 CA TYR A 680 16.195 -15.665 2.611 1.00 2.05 C ATOM 862 C TYR A 680 16.061 -15.672 1.094 1.00 1.75 C ATOM 863 O TYR A 680 15.041 -16.098 0.551 1.00 2.00 O ATOM 864 CB TYR A 680 15.530 -16.911 3.205 1.00 2.63 C ATOM 865 CG TYR A 680 15.657 -16.996 4.708 1.00 3.13 C ATOM 866 CD1 TYR A 680 16.854 -17.371 5.301 1.00 3.63 C ATOM 867 CD2 TYR A 680 14.576 -16.711 5.532 1.00 3.37 C ATOM 868 CE1 TYR A 680 16.971 -17.458 6.674 1.00 4.26 C ATOM 869 CE2 TYR A 680 14.686 -16.796 6.906 1.00 3.94 C ATOM 870 CZ TYR A 680 15.898 -17.134 7.473 1.00 4.36 C ATOM 871 OH TYR A 680 16.001 -17.255 8.840 1.00 5.05 O ATOM 0 H TYR A 680 14.767 -14.622 3.733 1.00 1.93 H new ATOM 0 HA TYR A 680 17.256 -15.677 2.862 1.00 2.05 H new ATOM 0 HB2 TYR A 680 14.474 -16.914 2.936 1.00 2.63 H new ATOM 0 HB3 TYR A 680 15.975 -17.800 2.759 1.00 2.63 H new ATOM 0 HD1 TYR A 680 17.707 -17.598 4.679 1.00 3.63 H new ATOM 0 HD2 TYR A 680 13.634 -16.418 5.091 1.00 3.37 H new ATOM 0 HE1 TYR A 680 17.901 -17.779 7.119 1.00 4.26 H new ATOM 0 HE2 TYR A 680 13.829 -16.599 7.533 1.00 3.94 H new ATOM 0 HH TYR A 680 15.156 -16.985 9.257 1.00 5.05 H new ATOM 881 N GLY A 681 17.084 -15.173 0.417 1.00 1.41 N ATOM 882 CA GLY A 681 17.073 -15.142 -1.030 1.00 1.29 C ATOM 883 C GLY A 681 16.488 -13.855 -1.575 1.00 1.11 C ATOM 884 O GLY A 681 16.284 -13.721 -2.780 1.00 1.20 O ATOM 0 H GLY A 681 17.925 -14.787 0.846 1.00 1.41 H new ATOM 0 HA2 GLY A 681 18.091 -15.261 -1.401 1.00 1.29 H new ATOM 0 HA3 GLY A 681 16.496 -15.988 -1.405 1.00 1.29 H new ATOM 888 N LEU A 682 16.220 -12.898 -0.695 1.00 0.95 N ATOM 889 CA LEU A 682 15.660 -11.624 -1.119 1.00 0.84 C ATOM 890 C LEU A 682 16.709 -10.525 -1.055 1.00 0.76 C ATOM 891 O LEU A 682 17.279 -10.252 0.001 1.00 0.82 O ATOM 892 CB LEU A 682 14.446 -11.229 -0.267 1.00 0.88 C ATOM 893 CG LEU A 682 13.122 -11.939 -0.592 1.00 1.02 C ATOM 894 CD1 LEU A 682 12.833 -11.897 -2.083 1.00 1.10 C ATOM 895 CD2 LEU A 682 13.124 -13.373 -0.088 1.00 1.38 C ATOM 0 H LEU A 682 16.380 -12.980 0.309 1.00 0.95 H new ATOM 0 HA LEU A 682 15.330 -11.745 -2.151 1.00 0.84 H new ATOM 0 HB2 LEU A 682 14.687 -11.418 0.779 1.00 0.88 H new ATOM 0 HB3 LEU A 682 14.292 -10.155 -0.370 1.00 0.88 H new ATOM 0 HG LEU A 682 12.327 -11.403 -0.074 1.00 1.02 H new ATOM 0 HD11 LEU A 682 11.891 -12.406 -2.285 1.00 1.10 H new ATOM 0 HD12 LEU A 682 12.763 -10.860 -2.411 1.00 1.10 H new ATOM 0 HD13 LEU A 682 13.638 -12.395 -2.624 1.00 1.10 H new ATOM 0 HD21 LEU A 682 12.174 -13.846 -0.334 1.00 1.38 H new ATOM 0 HD22 LEU A 682 13.937 -13.924 -0.561 1.00 1.38 H new ATOM 0 HD23 LEU A 682 13.263 -13.379 0.993 1.00 1.38 H new ATOM 907 N GLU A 683 16.964 -9.908 -2.197 1.00 0.78 N ATOM 908 CA GLU A 683 17.897 -8.795 -2.290 1.00 0.79 C ATOM 909 C GLU A 683 17.217 -7.511 -1.843 1.00 0.68 C ATOM 910 O GLU A 683 16.188 -7.135 -2.393 1.00 0.78 O ATOM 911 CB GLU A 683 18.381 -8.650 -3.733 1.00 0.99 C ATOM 912 CG GLU A 683 19.226 -7.413 -3.980 1.00 1.48 C ATOM 913 CD GLU A 683 19.589 -7.246 -5.437 1.00 2.22 C ATOM 914 OE1 GLU A 683 20.692 -7.679 -5.832 1.00 2.83 O ATOM 915 OE2 GLU A 683 18.776 -6.686 -6.201 1.00 2.76 O ATOM 0 H GLU A 683 16.531 -10.163 -3.085 1.00 0.78 H new ATOM 0 HA GLU A 683 18.751 -8.988 -1.641 1.00 0.79 H new ATOM 0 HB2 GLU A 683 18.961 -9.533 -4.001 1.00 0.99 H new ATOM 0 HB3 GLU A 683 17.515 -8.624 -4.395 1.00 0.99 H new ATOM 0 HG2 GLU A 683 18.683 -6.531 -3.640 1.00 1.48 H new ATOM 0 HG3 GLU A 683 20.138 -7.474 -3.386 1.00 1.48 H new ATOM 922 N LYS A 684 17.783 -6.838 -0.851 1.00 0.64 N ATOM 923 CA LYS A 684 17.187 -5.602 -0.368 1.00 0.59 C ATOM 924 C LYS A 684 17.371 -4.493 -1.399 1.00 0.52 C ATOM 925 O LYS A 684 18.486 -4.221 -1.856 1.00 0.69 O ATOM 926 CB LYS A 684 17.750 -5.187 1.001 1.00 0.70 C ATOM 927 CG LYS A 684 19.186 -4.684 0.982 1.00 0.85 C ATOM 928 CD LYS A 684 19.658 -4.294 2.376 1.00 0.94 C ATOM 929 CE LYS A 684 18.775 -3.214 2.996 1.00 1.09 C ATOM 930 NZ LYS A 684 19.278 -2.785 4.327 1.00 1.72 N ATOM 0 H LYS A 684 18.638 -7.121 -0.373 1.00 0.64 H new ATOM 0 HA LYS A 684 16.120 -5.777 -0.228 1.00 0.59 H new ATOM 0 HB2 LYS A 684 17.113 -4.406 1.417 1.00 0.70 H new ATOM 0 HB3 LYS A 684 17.689 -6.041 1.676 1.00 0.70 H new ATOM 0 HG2 LYS A 684 19.839 -5.458 0.579 1.00 0.85 H new ATOM 0 HG3 LYS A 684 19.263 -3.824 0.317 1.00 0.85 H new ATOM 0 HD2 LYS A 684 19.659 -5.175 3.018 1.00 0.94 H new ATOM 0 HD3 LYS A 684 20.686 -3.936 2.324 1.00 0.94 H new ATOM 0 HE2 LYS A 684 18.732 -2.353 2.329 1.00 1.09 H new ATOM 0 HE3 LYS A 684 17.757 -3.590 3.096 1.00 1.09 H new ATOM 0 HZ1 LYS A 684 18.583 -2.154 4.774 1.00 1.72 H new ATOM 0 HZ2 LYS A 684 19.424 -3.621 4.929 1.00 1.72 H new ATOM 0 HZ3 LYS A 684 20.180 -2.280 4.211 1.00 1.72 H new ATOM 944 N ASP A 685 16.270 -3.872 -1.780 1.00 0.36 N ATOM 945 CA ASP A 685 16.283 -2.864 -2.831 1.00 0.32 C ATOM 946 C ASP A 685 15.159 -1.853 -2.607 1.00 0.27 C ATOM 947 O ASP A 685 13.989 -2.165 -2.831 1.00 0.26 O ATOM 948 CB ASP A 685 16.123 -3.539 -4.198 1.00 0.35 C ATOM 949 CG ASP A 685 16.242 -2.561 -5.344 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.350 -2.424 -5.898 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.231 -1.913 -5.688 1.00 1.68 O ATOM 0 H ASP A 685 15.350 -4.047 -1.377 1.00 0.36 H new ATOM 0 HA ASP A 685 17.236 -2.335 -2.805 1.00 0.32 H new ATOM 0 HB2 ASP A 685 16.880 -4.315 -4.307 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.152 -4.032 -4.245 1.00 0.35 H new ATOM 956 N PRO A 686 15.500 -0.632 -2.140 1.00 0.29 N ATOM 957 CA PRO A 686 14.516 0.428 -1.846 1.00 0.29 C ATOM 958 C PRO A 686 13.559 0.719 -3.006 1.00 0.25 C ATOM 959 O PRO A 686 12.394 1.059 -2.788 1.00 0.25 O ATOM 960 CB PRO A 686 15.384 1.657 -1.563 1.00 0.37 C ATOM 961 CG PRO A 686 16.681 1.103 -1.085 1.00 0.42 C ATOM 962 CD PRO A 686 16.880 -0.194 -1.833 1.00 0.37 C ATOM 0 HA PRO A 686 13.866 0.135 -1.022 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.518 2.262 -2.460 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.927 2.300 -0.811 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.498 1.797 -1.282 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.660 0.933 -0.008 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.466 -0.048 -2.741 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.409 -0.930 -1.227 1.00 0.37 H new ATOM 970 N GLN A 687 14.047 0.577 -4.233 1.00 0.25 N ATOM 971 CA GLN A 687 13.236 0.845 -5.415 1.00 0.27 C ATOM 972 C GLN A 687 12.151 -0.220 -5.531 1.00 0.23 C ATOM 973 O GLN A 687 10.955 0.091 -5.605 1.00 0.24 O ATOM 974 CB GLN A 687 14.129 0.860 -6.664 1.00 0.35 C ATOM 975 CG GLN A 687 13.533 1.549 -7.892 1.00 0.65 C ATOM 976 CD GLN A 687 12.453 0.742 -8.595 1.00 1.23 C ATOM 977 OE1 GLN A 687 12.747 -0.095 -9.447 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.196 1.023 -8.289 1.00 1.23 N ATOM 0 H GLN A 687 15.001 0.278 -4.435 1.00 0.25 H new ATOM 0 HA GLN A 687 12.759 1.821 -5.327 1.00 0.27 H new ATOM 0 HB2 GLN A 687 15.068 1.354 -6.412 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.371 -0.169 -6.928 1.00 0.35 H new ATOM 0 HG2 GLN A 687 13.115 2.509 -7.589 1.00 0.65 H new ATOM 0 HG3 GLN A 687 14.333 1.760 -8.601 1.00 0.65 H new ATOM 0 HE21 GLN A 687 10.989 1.723 -7.577 1.00 1.23 H new ATOM 0 HE22 GLN A 687 10.435 0.539 -8.765 1.00 1.23 H new ATOM 987 N ARG A 688 12.573 -1.477 -5.476 1.00 0.22 N ATOM 988 CA ARG A 688 11.670 -2.605 -5.624 1.00 0.23 C ATOM 989 C ARG A 688 10.718 -2.656 -4.440 1.00 0.18 C ATOM 990 O ARG A 688 9.542 -2.993 -4.588 1.00 0.20 O ATOM 991 CB ARG A 688 12.476 -3.899 -5.702 1.00 0.29 C ATOM 992 CG ARG A 688 11.837 -4.989 -6.544 1.00 0.70 C ATOM 993 CD ARG A 688 12.782 -6.167 -6.704 1.00 0.78 C ATOM 994 NE ARG A 688 14.114 -5.729 -7.125 1.00 1.67 N ATOM 995 CZ ARG A 688 15.248 -6.352 -6.805 1.00 2.16 C ATOM 996 NH1 ARG A 688 15.217 -7.516 -6.167 1.00 1.85 N ATOM 997 NH2 ARG A 688 16.414 -5.822 -7.149 1.00 3.24 N ATOM 0 H ARG A 688 13.547 -1.740 -5.328 1.00 0.22 H new ATOM 0 HA ARG A 688 11.092 -2.489 -6.541 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.462 -3.674 -6.109 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.627 -4.279 -4.692 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.910 -5.321 -6.076 1.00 0.70 H new ATOM 0 HG3 ARG A 688 11.574 -4.591 -7.524 1.00 0.70 H new ATOM 0 HD2 ARG A 688 12.856 -6.707 -5.760 1.00 0.78 H new ATOM 0 HD3 ARG A 688 12.377 -6.863 -7.438 1.00 0.78 H new ATOM 0 HE ARG A 688 14.179 -4.890 -7.702 1.00 1.67 H new ATOM 0 HH11 ARG A 688 14.322 -7.938 -5.919 1.00 1.85 H new ATOM 0 HH12 ARG A 688 16.088 -7.988 -5.925 1.00 1.85 H new ATOM 0 HH21 ARG A 688 16.442 -4.938 -7.658 1.00 3.24 H new ATOM 0 HH22 ARG A 688 17.282 -6.298 -6.905 1.00 3.24 H new ATOM 1011 N SER A 689 11.244 -2.314 -3.266 1.00 0.16 N ATOM 1012 CA SER A 689 10.438 -2.234 -2.059 1.00 0.17 C ATOM 1013 C SER A 689 9.249 -1.310 -2.273 1.00 0.15 C ATOM 1014 O SER A 689 8.105 -1.706 -2.043 1.00 0.16 O ATOM 1015 CB SER A 689 11.278 -1.734 -0.886 1.00 0.21 C ATOM 1016 OG SER A 689 12.433 -2.532 -0.710 1.00 1.11 O ATOM 0 H SER A 689 12.229 -2.088 -3.129 1.00 0.16 H new ATOM 0 HA SER A 689 10.071 -3.234 -1.828 1.00 0.17 H new ATOM 0 HB2 SER A 689 11.571 -0.698 -1.060 1.00 0.21 H new ATOM 0 HB3 SER A 689 10.680 -1.748 0.025 1.00 0.21 H new ATOM 0 HG SER A 689 13.071 -2.347 -1.431 1.00 1.11 H new ATOM 1022 N GLY A 690 9.503 -0.089 -2.746 1.00 0.16 N ATOM 1023 CA GLY A 690 8.425 0.846 -2.966 1.00 0.18 C ATOM 1024 C GLY A 690 7.518 0.414 -4.094 1.00 0.17 C ATOM 1025 O GLY A 690 6.310 0.626 -4.036 1.00 0.19 O ATOM 0 H GLY A 690 10.433 0.261 -2.977 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.841 0.947 -2.051 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.839 1.829 -3.191 1.00 0.18 H new ATOM 1029 N ASP A 691 8.098 -0.211 -5.117 1.00 0.17 N ATOM 1030 CA ASP A 691 7.313 -0.690 -6.256 1.00 0.20 C ATOM 1031 C ASP A 691 6.310 -1.743 -5.788 1.00 0.18 C ATOM 1032 O ASP A 691 5.128 -1.704 -6.141 1.00 0.22 O ATOM 1033 CB ASP A 691 8.230 -1.272 -7.341 1.00 0.26 C ATOM 1034 CG ASP A 691 7.468 -1.684 -8.587 1.00 0.82 C ATOM 1035 OD1 ASP A 691 7.285 -0.833 -9.485 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.056 -2.859 -8.678 1.00 1.54 O ATOM 0 H ASP A 691 9.099 -0.397 -5.182 1.00 0.17 H new ATOM 0 HA ASP A 691 6.771 0.152 -6.685 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.985 -0.533 -7.609 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.759 -2.137 -6.940 1.00 0.26 H new ATOM 1041 N LEU A 692 6.778 -2.655 -4.948 1.00 0.16 N ATOM 1042 CA LEU A 692 5.928 -3.713 -4.427 1.00 0.16 C ATOM 1043 C LEU A 692 4.960 -3.175 -3.381 1.00 0.15 C ATOM 1044 O LEU A 692 3.817 -3.615 -3.313 1.00 0.16 O ATOM 1045 CB LEU A 692 6.779 -4.838 -3.843 1.00 0.20 C ATOM 1046 CG LEU A 692 7.500 -5.702 -4.873 1.00 0.48 C ATOM 1047 CD1 LEU A 692 8.597 -6.516 -4.208 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.506 -6.619 -5.568 1.00 0.73 C ATOM 0 H LEU A 692 7.741 -2.683 -4.614 1.00 0.16 H new ATOM 0 HA LEU A 692 5.339 -4.113 -5.253 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.521 -4.402 -3.173 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.140 -5.479 -3.236 1.00 0.20 H new ATOM 0 HG LEU A 692 7.959 -5.052 -5.618 1.00 0.48 H new ATOM 0 HD11 LEU A 692 9.101 -7.127 -4.957 1.00 1.35 H new ATOM 0 HD12 LEU A 692 9.318 -5.844 -3.743 1.00 1.35 H new ATOM 0 HD13 LEU A 692 8.160 -7.162 -3.447 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.029 -7.233 -6.302 1.00 0.73 H new ATOM 0 HD22 LEU A 692 6.028 -7.264 -4.830 1.00 0.73 H new ATOM 0 HD23 LEU A 692 5.748 -6.019 -6.071 1.00 0.73 H new ATOM 1060 N TYR A 693 5.406 -2.217 -2.572 1.00 0.15 N ATOM 1061 CA TYR A 693 4.525 -1.599 -1.581 1.00 0.17 C ATOM 1062 C TYR A 693 3.411 -0.810 -2.263 1.00 0.18 C ATOM 1063 O TYR A 693 2.269 -0.819 -1.808 1.00 0.20 O ATOM 1064 CB TYR A 693 5.295 -0.685 -0.619 1.00 0.21 C ATOM 1065 CG TYR A 693 5.848 -1.390 0.603 1.00 0.48 C ATOM 1066 CD1 TYR A 693 5.000 -2.055 1.481 1.00 0.59 C ATOM 1067 CD2 TYR A 693 7.207 -1.371 0.894 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.492 -2.680 2.611 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.705 -2.000 2.017 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.845 -2.651 2.873 1.00 1.05 C ATOM 1071 OH TYR A 693 7.339 -3.262 4.002 1.00 1.33 O ATOM 0 H TYR A 693 6.359 -1.855 -2.581 1.00 0.15 H new ATOM 0 HA TYR A 693 4.086 -2.409 -0.998 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.119 -0.220 -1.160 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.634 0.118 -0.293 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.940 -2.084 1.277 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.885 -0.855 0.230 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.820 -3.189 3.286 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.765 -1.982 2.224 1.00 0.96 H new ATOM 0 HH TYR A 693 6.769 -4.024 4.237 1.00 1.33 H new ATOM 1081 N THR A 694 3.732 -0.143 -3.367 1.00 0.19 N ATOM 1082 CA THR A 694 2.729 0.623 -4.091 1.00 0.22 C ATOM 1083 C THR A 694 1.790 -0.312 -4.840 1.00 0.20 C ATOM 1084 O THR A 694 0.587 -0.057 -4.932 1.00 0.21 O ATOM 1085 CB THR A 694 3.352 1.637 -5.075 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.371 1.005 -5.855 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.936 2.828 -4.331 1.00 0.31 C ATOM 0 H THR A 694 4.667 -0.118 -3.774 1.00 0.19 H new ATOM 0 HA THR A 694 2.170 1.192 -3.348 1.00 0.22 H new ATOM 0 HB THR A 694 2.563 1.996 -5.736 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.213 1.002 -5.353 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.369 3.527 -5.046 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.148 3.327 -3.767 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.711 2.485 -3.646 1.00 0.31 H new ATOM 1095 N GLN A 695 2.335 -1.414 -5.347 1.00 0.19 N ATOM 1096 CA GLN A 695 1.519 -2.428 -5.991 1.00 0.20 C ATOM 1097 C GLN A 695 0.608 -3.078 -4.950 1.00 0.17 C ATOM 1098 O GLN A 695 -0.569 -3.352 -5.214 1.00 0.18 O ATOM 1099 CB GLN A 695 2.407 -3.478 -6.669 1.00 0.25 C ATOM 1100 CG GLN A 695 1.631 -4.509 -7.478 1.00 0.85 C ATOM 1101 CD GLN A 695 0.869 -3.905 -8.648 1.00 1.44 C ATOM 1102 OE1 GLN A 695 1.421 -2.866 -9.261 1.00 2.09 O flip ATOM 1103 NE2 GLN A 695 -0.204 -4.386 -9.011 1.00 2.13 N flip ATOM 0 H GLN A 695 3.333 -1.623 -5.323 1.00 0.19 H new ATOM 0 HA GLN A 695 0.904 -1.963 -6.761 1.00 0.20 H new ATOM 0 HB2 GLN A 695 3.115 -2.972 -7.326 1.00 0.25 H new ATOM 0 HB3 GLN A 695 2.991 -3.993 -5.907 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.324 -5.262 -7.854 1.00 0.85 H new ATOM 0 HG3 GLN A 695 0.928 -5.022 -6.821 1.00 0.85 H new ATOM 0 HE21 GLN A 695 -0.598 -5.185 -8.515 1.00 2.13 H new ATOM 0 HE22 GLN A 695 -0.699 -3.985 -9.808 1.00 2.13 H new ATOM 1112 N ALA A 696 1.154 -3.298 -3.757 1.00 0.16 N ATOM 1113 CA ALA A 696 0.384 -3.828 -2.646 1.00 0.16 C ATOM 1114 C ALA A 696 -0.698 -2.849 -2.223 1.00 0.16 C ATOM 1115 O ALA A 696 -1.824 -3.253 -1.942 1.00 0.16 O ATOM 1116 CB ALA A 696 1.288 -4.154 -1.469 1.00 0.18 C ATOM 0 H ALA A 696 2.133 -3.115 -3.539 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.095 -4.749 -2.979 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.689 -4.549 -0.649 1.00 0.18 H new ATOM 0 HB2 ALA A 696 2.025 -4.898 -1.771 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.799 -3.249 -1.141 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.373 -1.558 -2.195 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.353 -0.544 -1.843 1.00 0.17 C ATOM 1124 C ALA A 697 -2.434 -0.478 -2.905 1.00 0.16 C ATOM 1125 O ALA A 697 -3.601 -0.246 -2.604 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.692 0.818 -1.683 1.00 0.20 C ATOM 0 H ALA A 697 0.556 -1.196 -2.411 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.804 -0.818 -0.889 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.446 1.560 -1.420 1.00 0.20 H new ATOM 0 HB2 ALA A 697 0.059 0.768 -0.894 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.215 1.103 -2.620 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.033 -0.695 -4.152 1.00 0.17 N ATOM 1133 CA GLU A 698 -2.976 -0.752 -5.249 1.00 0.20 C ATOM 1134 C GLU A 698 -3.933 -1.922 -5.042 1.00 0.18 C ATOM 1135 O GLU A 698 -5.146 -1.774 -5.177 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.235 -0.894 -6.581 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.147 -0.847 -7.796 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.399 -1.050 -9.093 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -1.457 -0.282 -9.364 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.748 -1.980 -9.847 1.00 1.40 O ATOM 0 H GLU A 698 -1.060 -0.834 -4.423 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.550 0.174 -5.275 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.496 -0.097 -6.662 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.689 -1.837 -6.584 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -3.914 -1.615 -7.699 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -3.660 0.114 -7.823 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.381 -3.073 -4.670 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.189 -4.261 -4.412 1.00 0.18 C ATOM 1149 C ALA A 699 -5.042 -4.074 -3.162 1.00 0.15 C ATOM 1150 O ALA A 699 -6.117 -4.656 -3.038 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.299 -5.485 -4.263 1.00 0.21 C ATOM 0 H ALA A 699 -2.378 -3.209 -4.540 1.00 0.17 H new ATOM 0 HA ALA A 699 -4.854 -4.412 -5.262 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -3.916 -6.363 -4.071 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.730 -5.635 -5.181 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.612 -5.336 -3.430 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.550 -3.255 -2.243 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.265 -2.964 -1.010 1.00 0.13 C ATOM 1159 C ALA A 700 -6.444 -2.041 -1.279 1.00 0.13 C ATOM 1160 O ALA A 700 -7.559 -2.298 -0.832 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.331 -2.351 0.020 1.00 0.14 C ATOM 0 H ALA A 700 -3.653 -2.778 -2.330 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.648 -3.902 -0.609 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.886 -2.141 0.935 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.522 -3.048 0.238 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -3.915 -1.423 -0.373 1.00 0.14 H new ATOM 1167 N MET A 701 -6.200 -0.970 -2.027 1.00 0.15 N ATOM 1168 CA MET A 701 -7.257 -0.028 -2.363 1.00 0.20 C ATOM 1169 C MET A 701 -8.241 -0.665 -3.337 1.00 0.23 C ATOM 1170 O MET A 701 -9.430 -0.350 -3.327 1.00 0.28 O ATOM 1171 CB MET A 701 -6.678 1.274 -2.941 1.00 0.27 C ATOM 1172 CG MET A 701 -6.089 1.146 -4.336 1.00 0.44 C ATOM 1173 SD MET A 701 -5.471 2.716 -4.972 1.00 0.74 S ATOM 1174 CE MET A 701 -4.984 2.240 -6.627 1.00 0.76 C ATOM 0 H MET A 701 -5.284 -0.735 -2.409 1.00 0.15 H new ATOM 0 HA MET A 701 -7.791 0.227 -1.448 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.466 2.027 -2.962 1.00 0.27 H new ATOM 0 HB3 MET A 701 -5.904 1.641 -2.267 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.276 0.420 -4.318 1.00 0.44 H new ATOM 0 HG3 MET A 701 -6.849 0.757 -5.014 1.00 0.44 H new ATOM 0 HE1 MET A 701 -3.899 2.152 -6.676 1.00 0.76 H new ATOM 0 HE2 MET A 701 -5.438 1.281 -6.878 1.00 0.76 H new ATOM 0 HE3 MET A 701 -5.319 2.997 -7.337 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.746 -1.583 -4.159 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.602 -2.336 -5.062 1.00 0.31 C ATOM 1186 C GLU A 702 -9.482 -3.291 -4.257 1.00 0.29 C ATOM 1187 O GLU A 702 -10.618 -3.578 -4.631 1.00 0.36 O ATOM 1188 CB GLU A 702 -7.749 -3.109 -6.070 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.545 -3.759 -7.189 1.00 1.14 C ATOM 1190 CD GLU A 702 -9.311 -2.747 -8.016 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -8.669 -1.957 -8.742 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -10.559 -2.744 -7.949 1.00 2.58 O ATOM 0 H GLU A 702 -6.756 -1.822 -4.217 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.243 -1.647 -5.612 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.017 -2.429 -6.507 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.191 -3.881 -5.540 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -7.868 -4.316 -7.837 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.243 -4.480 -6.763 1.00 1.14 H new ATOM 1199 N ALA A 703 -8.954 -3.755 -3.129 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.690 -4.649 -2.243 1.00 0.32 C ATOM 1201 C ALA A 703 -10.606 -3.864 -1.308 1.00 0.33 C ATOM 1202 O ALA A 703 -11.179 -4.427 -0.377 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.724 -5.507 -1.438 1.00 0.39 C ATOM 0 H ALA A 703 -8.014 -3.525 -2.806 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.312 -5.299 -2.858 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.287 -6.170 -0.781 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.113 -6.102 -2.117 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.079 -4.864 -0.839 1.00 0.39 H new ATOM 1209 N MET A 704 -10.733 -2.560 -1.567 1.00 0.33 N ATOM 1210 CA MET A 704 -11.589 -1.677 -0.774 1.00 0.44 C ATOM 1211 C MET A 704 -11.037 -1.505 0.640 1.00 0.41 C ATOM 1212 O MET A 704 -11.790 -1.313 1.595 1.00 0.58 O ATOM 1213 CB MET A 704 -13.030 -2.205 -0.721 1.00 0.61 C ATOM 1214 CG MET A 704 -13.714 -2.264 -2.076 1.00 1.01 C ATOM 1215 SD MET A 704 -15.381 -2.949 -1.986 1.00 2.03 S ATOM 1216 CE MET A 704 -15.910 -2.741 -3.685 1.00 2.61 C ATOM 0 H MET A 704 -10.247 -2.089 -2.330 1.00 0.33 H new ATOM 0 HA MET A 704 -11.598 -0.703 -1.262 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.025 -3.203 -0.284 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.615 -1.569 -0.057 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.760 -1.260 -2.499 1.00 1.01 H new ATOM 0 HG3 MET A 704 -13.113 -2.869 -2.755 1.00 1.01 H new ATOM 0 HE1 MET A 704 -16.927 -3.117 -3.798 1.00 2.61 H new ATOM 0 HE2 MET A 704 -15.883 -1.683 -3.948 1.00 2.61 H new ATOM 0 HE3 MET A 704 -15.242 -3.296 -4.344 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.720 -1.564 0.771 1.00 0.30 N ATOM 1227 CA LYS A 705 -9.076 -1.433 2.070 1.00 0.34 C ATOM 1228 C LYS A 705 -8.134 -0.232 2.090 1.00 0.31 C ATOM 1229 O LYS A 705 -6.912 -0.370 1.974 1.00 0.30 O ATOM 1230 CB LYS A 705 -8.341 -2.727 2.417 1.00 0.42 C ATOM 1231 CG LYS A 705 -9.282 -3.917 2.485 1.00 0.65 C ATOM 1232 CD LYS A 705 -8.607 -5.166 3.015 1.00 0.70 C ATOM 1233 CE LYS A 705 -8.177 -5.012 4.466 1.00 1.02 C ATOM 1234 NZ LYS A 705 -9.281 -4.529 5.335 1.00 1.59 N ATOM 0 H LYS A 705 -9.075 -1.702 -0.007 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.839 -1.258 2.829 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.570 -2.917 1.670 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.835 -2.610 3.375 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -10.130 -3.669 3.123 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -9.680 -4.118 1.490 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -9.289 -6.011 2.927 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -7.736 -5.395 2.401 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -7.817 -5.971 4.839 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -7.342 -4.314 4.523 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -9.171 -4.928 6.289 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -9.252 -3.491 5.388 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -10.193 -4.830 4.937 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.730 0.950 2.231 1.00 0.40 N ATOM 1249 CA GLY A 706 -7.984 2.193 2.234 1.00 0.47 C ATOM 1250 C GLY A 706 -6.990 2.313 3.372 1.00 0.42 C ATOM 1251 O GLY A 706 -5.940 2.922 3.205 1.00 0.40 O ATOM 0 H GLY A 706 -9.737 1.066 2.345 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.451 2.287 1.288 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -8.685 3.026 2.289 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.308 1.740 4.529 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.405 1.805 5.678 1.00 0.47 C ATOM 1257 C ARG A 707 -5.090 1.102 5.348 1.00 0.38 C ATOM 1258 O ARG A 707 -4.001 1.651 5.547 1.00 0.38 O ATOM 1259 CB ARG A 707 -7.057 1.165 6.907 1.00 0.60 C ATOM 1260 CG ARG A 707 -6.200 1.230 8.165 1.00 0.72 C ATOM 1261 CD ARG A 707 -6.921 0.618 9.356 1.00 1.28 C ATOM 1262 NE ARG A 707 -7.223 -0.798 9.148 1.00 2.07 N ATOM 1263 CZ ARG A 707 -8.351 -1.388 9.540 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -9.287 -0.694 10.171 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -8.539 -2.681 9.311 1.00 3.90 N ATOM 0 H ARG A 707 -8.175 1.230 4.697 1.00 0.44 H new ATOM 0 HA ARG A 707 -6.199 2.851 5.904 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -8.008 1.661 7.101 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -7.281 0.122 6.685 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -5.261 0.703 7.996 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -5.949 2.268 8.383 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -6.305 0.730 10.248 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -7.847 1.163 9.538 1.00 1.28 H new ATOM 0 HE ARG A 707 -6.525 -1.370 8.672 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -9.146 0.299 10.359 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -10.148 -1.152 10.468 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -7.819 -3.224 8.834 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -9.403 -3.132 9.612 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.208 -0.108 4.818 1.00 0.32 N ATOM 1280 CA LEU A 708 -4.049 -0.886 4.406 1.00 0.30 C ATOM 1281 C LEU A 708 -3.305 -0.171 3.286 1.00 0.23 C ATOM 1282 O LEU A 708 -2.080 -0.053 3.319 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.474 -2.288 3.948 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.757 -3.307 5.063 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.493 -3.604 5.852 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.856 -2.814 5.993 1.00 1.02 C ATOM 0 H LEU A 708 -6.102 -0.574 4.663 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.382 -0.989 5.262 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.371 -2.192 3.336 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.691 -2.691 3.306 1.00 0.34 H new ATOM 0 HG LEU A 708 -5.099 -4.228 4.592 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.715 -4.328 6.636 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.735 -4.014 5.184 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -3.120 -2.684 6.302 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -6.034 -3.556 6.771 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.550 -1.874 6.451 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.772 -2.659 5.423 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.063 0.314 2.308 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.501 1.064 1.193 1.00 0.18 C ATOM 1300 C ALA A 709 -2.734 2.286 1.688 1.00 0.19 C ATOM 1301 O ALA A 709 -1.648 2.596 1.194 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.599 1.474 0.227 1.00 0.21 C ATOM 0 H ALA A 709 -5.076 0.199 2.266 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.798 0.419 0.666 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.165 2.034 -0.601 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.096 0.584 -0.158 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.325 2.099 0.746 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.296 2.961 2.686 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.655 4.122 3.288 1.00 0.29 C ATOM 1310 C ASN A 710 -1.334 3.722 3.922 1.00 0.25 C ATOM 1311 O ASN A 710 -0.296 4.320 3.636 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.571 4.766 4.337 1.00 0.38 C ATOM 1313 CG ASN A 710 -2.868 5.842 5.151 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -2.346 5.574 6.232 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -2.840 7.063 4.639 1.00 1.45 N ATOM 0 H ASN A 710 -4.199 2.721 3.096 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.464 4.854 2.503 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.437 5.201 3.839 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.945 3.994 5.009 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -2.375 7.817 5.144 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -3.284 7.249 3.740 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.376 2.695 4.767 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.173 2.202 5.427 1.00 0.26 C ATOM 1324 C GLN A 711 0.896 1.831 4.403 1.00 0.22 C ATOM 1325 O GLN A 711 2.019 2.334 4.451 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.486 0.984 6.302 1.00 0.32 C ATOM 1327 CG GLN A 711 -1.373 1.277 7.506 1.00 1.24 C ATOM 1328 CD GLN A 711 -1.597 0.047 8.374 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -1.542 -1.136 7.772 1.00 1.83 O flip ATOM 1330 NE2 GLN A 711 -1.808 0.156 9.580 1.00 1.09 N flip ATOM 0 H GLN A 711 -2.228 2.190 5.010 1.00 0.25 H new ATOM 0 HA GLN A 711 0.204 3.005 6.061 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -0.971 0.226 5.686 1.00 0.32 H new ATOM 0 HB3 GLN A 711 0.452 0.556 6.655 1.00 0.32 H new ATOM 0 HG2 GLN A 711 -0.917 2.064 8.107 1.00 1.24 H new ATOM 0 HG3 GLN A 711 -2.335 1.656 7.161 1.00 1.24 H new ATOM 0 HE21 GLN A 711 -1.844 1.080 10.010 1.00 1.09 H new ATOM 0 HE22 GLN A 711 -1.947 -0.678 10.151 1.00 1.09 H new ATOM 1339 N TYR A 712 0.542 0.947 3.479 1.00 0.20 N ATOM 1340 CA TYR A 712 1.494 0.468 2.486 1.00 0.20 C ATOM 1341 C TYR A 712 2.018 1.592 1.594 1.00 0.20 C ATOM 1342 O TYR A 712 3.194 1.585 1.227 1.00 0.21 O ATOM 1343 CB TYR A 712 0.901 -0.663 1.644 1.00 0.22 C ATOM 1344 CG TYR A 712 0.562 -1.893 2.457 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.415 -2.353 3.454 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.609 -2.592 2.225 1.00 0.33 C ATOM 1347 CE1 TYR A 712 1.104 -3.478 4.195 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.927 -3.715 2.959 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.069 -4.154 3.944 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.385 -5.277 4.676 1.00 0.44 O ATOM 0 H TYR A 712 -0.393 0.549 3.397 1.00 0.20 H new ATOM 0 HA TYR A 712 2.346 0.071 3.038 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.000 -0.304 1.147 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.610 -0.936 0.862 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.335 -1.823 3.653 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -1.286 -2.252 1.455 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.777 -3.824 4.966 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.845 -4.249 2.763 1.00 0.38 H new ATOM 0 HH TYR A 712 -1.247 -5.633 4.374 1.00 0.44 H new ATOM 1360 N TYR A 713 1.182 2.578 1.259 1.00 0.21 N ATOM 1361 CA TYR A 713 1.678 3.704 0.475 1.00 0.25 C ATOM 1362 C TYR A 713 2.620 4.547 1.325 1.00 0.23 C ATOM 1363 O TYR A 713 3.661 4.994 0.855 1.00 0.25 O ATOM 1364 CB TYR A 713 0.561 4.595 -0.089 1.00 0.32 C ATOM 1365 CG TYR A 713 1.129 5.803 -0.806 1.00 0.73 C ATOM 1366 CD1 TYR A 713 1.162 7.051 -0.195 1.00 1.81 C ATOM 1367 CD2 TYR A 713 1.687 5.676 -2.071 1.00 0.96 C ATOM 1368 CE1 TYR A 713 1.738 8.137 -0.826 1.00 2.50 C ATOM 1369 CE2 TYR A 713 2.254 6.760 -2.712 1.00 1.50 C ATOM 1370 CZ TYR A 713 2.282 7.985 -2.083 1.00 2.20 C ATOM 1371 OH TYR A 713 2.873 9.060 -2.706 1.00 2.95 O ATOM 0 H TYR A 713 0.194 2.619 1.509 1.00 0.21 H new ATOM 0 HA TYR A 713 2.205 3.280 -0.380 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.055 4.017 -0.778 1.00 0.32 H new ATOM 0 HB3 TYR A 713 -0.089 4.923 0.722 1.00 0.32 H new ATOM 0 HD1 TYR A 713 0.731 7.174 0.788 1.00 1.81 H new ATOM 0 HD2 TYR A 713 1.678 4.714 -2.562 1.00 0.96 H new ATOM 0 HE1 TYR A 713 1.762 9.100 -0.337 1.00 2.50 H new ATOM 0 HE2 TYR A 713 2.673 6.648 -3.701 1.00 1.50 H new ATOM 0 HH TYR A 713 3.562 9.439 -2.121 1.00 2.95 H new ATOM 1381 N GLN A 714 2.254 4.739 2.583 1.00 0.24 N ATOM 1382 CA GLN A 714 3.078 5.489 3.523 1.00 0.28 C ATOM 1383 C GLN A 714 4.398 4.760 3.751 1.00 0.23 C ATOM 1384 O GLN A 714 5.438 5.373 4.010 1.00 0.26 O ATOM 1385 CB GLN A 714 2.307 5.660 4.833 1.00 0.36 C ATOM 1386 CG GLN A 714 3.026 6.467 5.900 1.00 0.65 C ATOM 1387 CD GLN A 714 2.095 6.864 7.033 1.00 1.26 C ATOM 1388 OE1 GLN A 714 2.503 6.948 8.190 1.00 1.94 O ATOM 1389 NE2 GLN A 714 0.839 7.126 6.700 1.00 1.98 N ATOM 0 H GLN A 714 1.385 4.383 2.980 1.00 0.24 H new ATOM 0 HA GLN A 714 3.306 6.475 3.119 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.353 6.141 4.616 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.081 4.673 5.236 1.00 0.36 H new ATOM 0 HG2 GLN A 714 3.856 5.883 6.299 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.454 7.363 5.451 1.00 0.65 H new ATOM 0 HE21 GLN A 714 0.541 7.044 5.728 1.00 1.98 H new ATOM 0 HE22 GLN A 714 0.170 7.410 7.416 1.00 1.98 H new ATOM 1398 N LYS A 715 4.360 3.451 3.553 1.00 0.21 N ATOM 1399 CA LYS A 715 5.528 2.612 3.741 1.00 0.22 C ATOM 1400 C LYS A 715 6.399 2.699 2.488 1.00 0.20 C ATOM 1401 O LYS A 715 7.627 2.679 2.562 1.00 0.23 O ATOM 1402 CB LYS A 715 5.084 1.167 4.006 1.00 0.27 C ATOM 1403 CG LYS A 715 6.197 0.211 4.423 1.00 0.61 C ATOM 1404 CD LYS A 715 6.800 0.579 5.771 1.00 0.86 C ATOM 1405 CE LYS A 715 7.496 -0.612 6.425 1.00 1.16 C ATOM 1406 NZ LYS A 715 8.535 -1.216 5.547 1.00 1.67 N ATOM 0 H LYS A 715 3.524 2.946 3.260 1.00 0.21 H new ATOM 0 HA LYS A 715 6.108 2.950 4.600 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.323 1.175 4.786 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.612 0.778 3.104 1.00 0.27 H new ATOM 0 HG2 LYS A 715 5.803 -0.804 4.469 1.00 0.61 H new ATOM 0 HG3 LYS A 715 6.980 0.215 3.664 1.00 0.61 H new ATOM 0 HD2 LYS A 715 7.515 1.391 5.640 1.00 0.86 H new ATOM 0 HD3 LYS A 715 6.016 0.949 6.431 1.00 0.86 H new ATOM 0 HE2 LYS A 715 7.956 -0.292 7.360 1.00 1.16 H new ATOM 0 HE3 LYS A 715 6.754 -1.369 6.678 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 9.234 -1.718 6.131 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 8.087 -1.887 4.890 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 9.010 -0.466 5.005 1.00 1.67 H new ATOM 1420 N ALA A 716 5.737 2.816 1.335 1.00 0.17 N ATOM 1421 CA ALA A 716 6.419 3.026 0.062 1.00 0.18 C ATOM 1422 C ALA A 716 7.050 4.407 0.020 1.00 0.21 C ATOM 1423 O ALA A 716 8.182 4.583 -0.452 1.00 0.25 O ATOM 1424 CB ALA A 716 5.440 2.877 -1.092 1.00 0.21 C ATOM 0 H ALA A 716 4.721 2.768 1.260 1.00 0.17 H new ATOM 0 HA ALA A 716 7.203 2.274 -0.035 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.962 3.036 -2.035 1.00 0.21 H new ATOM 0 HB2 ALA A 716 5.012 1.875 -1.079 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.643 3.613 -0.990 1.00 0.21 H new ATOM 1430 N GLU A 717 6.319 5.381 0.544 1.00 0.24 N ATOM 1431 CA GLU A 717 6.770 6.751 0.555 1.00 0.32 C ATOM 1432 C GLU A 717 7.989 6.856 1.456 1.00 0.31 C ATOM 1433 O GLU A 717 8.986 7.479 1.093 1.00 0.33 O ATOM 1434 CB GLU A 717 5.645 7.675 1.036 1.00 0.45 C ATOM 1435 CG GLU A 717 5.954 9.157 0.897 1.00 1.26 C ATOM 1436 CD GLU A 717 6.082 9.605 -0.545 1.00 1.60 C ATOM 1437 OE1 GLU A 717 7.160 10.101 -0.931 1.00 2.16 O ATOM 1438 OE2 GLU A 717 5.106 9.443 -1.308 1.00 2.04 O ATOM 0 H GLU A 717 5.403 5.237 0.969 1.00 0.24 H new ATOM 0 HA GLU A 717 7.044 7.063 -0.453 1.00 0.32 H new ATOM 0 HB2 GLU A 717 4.739 7.450 0.473 1.00 0.45 H new ATOM 0 HB3 GLU A 717 5.433 7.456 2.082 1.00 0.45 H new ATOM 0 HG2 GLU A 717 5.166 9.733 1.382 1.00 1.26 H new ATOM 0 HG3 GLU A 717 6.882 9.380 1.424 1.00 1.26 H new ATOM 1445 N GLU A 718 7.917 6.207 2.622 1.00 0.31 N ATOM 1446 CA GLU A 718 9.065 6.127 3.516 1.00 0.36 C ATOM 1447 C GLU A 718 10.205 5.343 2.885 1.00 0.33 C ATOM 1448 O GLU A 718 11.366 5.680 3.082 1.00 0.36 O ATOM 1449 CB GLU A 718 8.694 5.496 4.853 1.00 0.43 C ATOM 1450 CG GLU A 718 7.934 6.425 5.774 1.00 1.06 C ATOM 1451 CD GLU A 718 7.838 5.879 7.177 1.00 1.46 C ATOM 1452 OE1 GLU A 718 8.794 6.072 7.958 1.00 1.75 O ATOM 1453 OE2 GLU A 718 6.819 5.244 7.509 1.00 2.20 O ATOM 0 H GLU A 718 7.080 5.734 2.963 1.00 0.31 H new ATOM 0 HA GLU A 718 9.395 7.151 3.693 1.00 0.36 H new ATOM 0 HB2 GLU A 718 8.091 4.607 4.670 1.00 0.43 H new ATOM 0 HB3 GLU A 718 9.604 5.166 5.354 1.00 0.43 H new ATOM 0 HG2 GLU A 718 8.428 7.396 5.796 1.00 1.06 H new ATOM 0 HG3 GLU A 718 6.931 6.586 5.379 1.00 1.06 H new ATOM 1460 N ALA A 719 9.877 4.297 2.132 1.00 0.28 N ATOM 1461 CA ALA A 719 10.897 3.506 1.450 1.00 0.29 C ATOM 1462 C ALA A 719 11.759 4.390 0.558 1.00 0.30 C ATOM 1463 O ALA A 719 12.990 4.371 0.648 1.00 0.37 O ATOM 1464 CB ALA A 719 10.266 2.391 0.628 1.00 0.28 C ATOM 0 H ALA A 719 8.920 3.979 1.979 1.00 0.28 H new ATOM 0 HA ALA A 719 11.531 3.054 2.213 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.049 1.818 0.131 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.696 1.733 1.284 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.601 2.822 -0.120 1.00 0.28 H new ATOM 1470 N TRP A 720 11.109 5.183 -0.288 1.00 0.26 N ATOM 1471 CA TRP A 720 11.833 6.071 -1.194 1.00 0.28 C ATOM 1472 C TRP A 720 12.361 7.313 -0.471 1.00 0.33 C ATOM 1473 O TRP A 720 13.369 7.885 -0.877 1.00 0.36 O ATOM 1474 CB TRP A 720 10.956 6.480 -2.382 1.00 0.29 C ATOM 1475 CG TRP A 720 10.596 5.332 -3.279 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.372 4.244 -3.577 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.377 5.166 -4.016 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.704 3.410 -4.438 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.481 3.954 -4.726 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.204 5.921 -4.142 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.462 3.482 -5.550 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.194 5.450 -4.958 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.329 4.241 -5.653 1.00 0.45 C ATOM 0 H TRP A 720 10.093 5.230 -0.366 1.00 0.26 H new ATOM 0 HA TRP A 720 12.691 5.513 -1.570 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.041 6.940 -2.008 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.478 7.238 -2.966 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.365 4.068 -3.191 1.00 0.31 H new ATOM 0 HE1 TRP A 720 11.061 2.527 -4.804 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.091 6.855 -3.611 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.563 2.551 -6.088 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.285 6.023 -5.062 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.521 3.901 -6.284 1.00 0.45 H new ATOM 1494 N ALA A 721 11.681 7.738 0.588 1.00 0.39 N ATOM 1495 CA ALA A 721 12.140 8.884 1.368 1.00 0.49 C ATOM 1496 C ALA A 721 13.411 8.548 2.140 1.00 0.57 C ATOM 1497 O ALA A 721 14.331 9.363 2.233 1.00 0.64 O ATOM 1498 CB ALA A 721 11.052 9.353 2.322 1.00 0.58 C ATOM 0 H ALA A 721 10.818 7.312 0.925 1.00 0.39 H new ATOM 0 HA ALA A 721 12.367 9.692 0.673 1.00 0.49 H new ATOM 0 HB1 ALA A 721 11.413 10.208 2.894 1.00 0.58 H new ATOM 0 HB2 ALA A 721 10.170 9.645 1.752 1.00 0.58 H new ATOM 0 HB3 ALA A 721 10.792 8.543 3.004 1.00 0.58 H new ATOM 1504 N GLN A 722 13.455 7.339 2.678 1.00 0.64 N ATOM 1505 CA GLN A 722 14.572 6.903 3.497 1.00 0.84 C ATOM 1506 C GLN A 722 15.756 6.496 2.626 1.00 0.87 C ATOM 1507 O GLN A 722 16.821 7.107 2.717 1.00 1.25 O ATOM 1508 CB GLN A 722 14.126 5.725 4.377 1.00 1.18 C ATOM 1509 CG GLN A 722 15.214 5.156 5.270 1.00 1.44 C ATOM 1510 CD GLN A 722 14.726 4.002 6.133 1.00 1.91 C ATOM 1511 OE1 GLN A 722 13.452 4.021 6.505 1.00 2.38 O flip ATOM 1512 NE2 GLN A 722 15.491 3.098 6.469 1.00 2.33 N flip ATOM 0 H GLN A 722 12.723 6.638 2.560 1.00 0.64 H new ATOM 0 HA GLN A 722 14.891 7.730 4.131 1.00 0.84 H new ATOM 0 HB2 GLN A 722 13.294 6.050 5.002 1.00 1.18 H new ATOM 0 HB3 GLN A 722 13.750 4.930 3.733 1.00 1.18 H new ATOM 0 HG2 GLN A 722 16.044 4.815 4.651 1.00 1.44 H new ATOM 0 HG3 GLN A 722 15.600 5.947 5.913 1.00 1.44 H new ATOM 0 HE21 GLN A 722 16.465 3.115 6.165 1.00 2.33 H new ATOM 0 HE22 GLN A 722 15.151 2.332 7.051 1.00 2.33 H new ATOM 1521 N MET A 723 15.545 5.509 1.748 1.00 0.99 N ATOM 1522 CA MET A 723 16.623 4.953 0.913 1.00 1.31 C ATOM 1523 C MET A 723 17.909 4.782 1.716 1.00 1.98 C ATOM 1524 O MET A 723 19.003 5.102 1.244 1.00 2.42 O ATOM 1525 CB MET A 723 16.894 5.839 -0.306 1.00 1.25 C ATOM 1526 CG MET A 723 15.760 5.870 -1.315 1.00 0.96 C ATOM 1527 SD MET A 723 16.143 6.884 -2.759 1.00 1.60 S ATOM 1528 CE MET A 723 16.402 8.487 -1.996 1.00 2.19 C ATOM 0 H MET A 723 14.635 5.075 1.595 1.00 0.99 H new ATOM 0 HA MET A 723 16.289 3.974 0.568 1.00 1.31 H new ATOM 0 HB2 MET A 723 17.091 6.856 0.034 1.00 1.25 H new ATOM 0 HB3 MET A 723 17.798 5.488 -0.803 1.00 1.25 H new ATOM 0 HG2 MET A 723 15.538 4.853 -1.638 1.00 0.96 H new ATOM 0 HG3 MET A 723 14.861 6.255 -0.834 1.00 0.96 H new ATOM 0 HE1 MET A 723 15.992 9.266 -2.638 1.00 2.19 H new ATOM 0 HE2 MET A 723 15.902 8.514 -1.028 1.00 2.19 H new ATOM 0 HE3 MET A 723 17.470 8.656 -1.857 1.00 2.19 H new ATOM 1538 N GLU A 724 17.768 4.274 2.925 1.00 2.33 N ATOM 1539 CA GLU A 724 18.874 4.197 3.855 1.00 3.03 C ATOM 1540 C GLU A 724 18.761 2.922 4.677 1.00 3.35 C ATOM 1541 O GLU A 724 17.696 2.305 4.708 1.00 3.82 O ATOM 1542 CB GLU A 724 18.867 5.434 4.765 1.00 3.31 C ATOM 1543 CG GLU A 724 20.090 5.559 5.658 1.00 3.60 C ATOM 1544 CD GLU A 724 21.374 5.605 4.861 1.00 4.24 C ATOM 1545 OE1 GLU A 724 21.958 4.536 4.607 1.00 4.88 O ATOM 1546 OE2 GLU A 724 21.811 6.717 4.494 1.00 4.47 O ATOM 0 H GLU A 724 16.889 3.906 3.287 1.00 2.33 H new ATOM 0 HA GLU A 724 19.816 4.174 3.307 1.00 3.03 H new ATOM 0 HB2 GLU A 724 18.792 6.327 4.144 1.00 3.31 H new ATOM 0 HB3 GLU A 724 17.975 5.405 5.391 1.00 3.31 H new ATOM 0 HG2 GLU A 724 20.006 6.462 6.262 1.00 3.60 H new ATOM 0 HG3 GLU A 724 20.122 4.716 6.348 1.00 3.60 H new ATOM 1553 N GLU A 725 19.863 2.538 5.322 1.00 3.48 N ATOM 1554 CA GLU A 725 19.907 1.355 6.174 1.00 4.01 C ATOM 1555 C GLU A 725 19.682 0.090 5.349 1.00 4.63 C ATOM 1556 O GLU A 725 20.679 -0.467 4.841 1.00 5.05 O ATOM 1557 CB GLU A 725 18.872 1.468 7.297 1.00 4.09 C ATOM 1558 CG GLU A 725 18.907 0.314 8.285 1.00 4.80 C ATOM 1559 CD GLU A 725 17.792 0.388 9.303 1.00 5.11 C ATOM 1560 OE1 GLU A 725 16.940 -0.524 9.326 1.00 5.31 O ATOM 1561 OE2 GLU A 725 17.761 1.363 10.087 1.00 5.52 O ATOM 1562 OXT GLU A 725 18.519 -0.342 5.199 1.00 5.02 O ATOM 0 H GLU A 725 20.749 3.040 5.267 1.00 3.48 H new ATOM 0 HA GLU A 725 20.896 1.290 6.627 1.00 4.01 H new ATOM 0 HB2 GLU A 725 19.036 2.401 7.837 1.00 4.09 H new ATOM 0 HB3 GLU A 725 17.877 1.526 6.856 1.00 4.09 H new ATOM 0 HG2 GLU A 725 18.836 -0.628 7.741 1.00 4.80 H new ATOM 0 HG3 GLU A 725 19.867 0.312 8.802 1.00 4.80 H new TER 1569 GLU A 725