USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 982 hydrogens (32 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 NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 125 HEC HAC : A 125 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 125 HEC HAB : A 125 HEC CAB : A 49 CYS SG :(H bumps) USER MOD Set 1.1: A 105 SER OG : rot -120:sc= -1.14 USER MOD Set 1.2: A 107 SER OG : rot 180:sc= -0.0339 USER MOD Set 2.1: A 41 THR OG1 : rot -77:sc= 0.832 USER MOD Set 2.2: A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ -156:sc=0.000781 (180deg=-0.26) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -2.43! K(o=-2.4!,f=-0.52) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 165:sc= 0 USER MOD Single : A 13 THR OG1 : rot 82:sc= 0.978 USER MOD Single : A 14 ASN : amide:sc= -0.0742 X(o=-0.074,f=-0.54) USER MOD Single : A 17 HIS : no HE2:sc= -0.262! C(o=-0.26!,f=-5.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -5.43! C(o=-5.4!,f=-15!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.101 (180deg=-0.29) USER MOD Single : A 36 ASN : amide:sc= -1.98! C(o=-2!,f=-3!) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= -0.0343 (180deg=-0.325) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -98:sc= -3.35! USER MOD Single : A 54 THR OG1 : rot 33:sc= -1.54! USER MOD Single : A 55 ASN : amide:sc= -0.397 K(o=-0.4,f=-1.7) USER MOD Single : A 56 ASN : amide:sc= -0.358 K(o=-0.36,f=-1.7) USER MOD Single : A 59 ASN : amide:sc= 0.506 K(o=0.51,f=-7.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -8.92! C(o=-8.9!,f=-13!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00797 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -2.25! C(o=-2.2!,f=-9!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0985 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -44:sc= 0.571 USER MOD Single : A 94 LYS NZ :NH3+ 173:sc= 0.706 (180deg=0.205) USER MOD Single : A 97 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.2!) USER MOD Single : A 109 LYS NZ :NH3+ -171:sc= 0.0287 (180deg=-0.167) USER MOD Single : A 111 ASN : amide:sc= -4.6! C(o=-4.6!,f=-13!) USER MOD Single : A 115 TYR OH : rot 180:sc= -1.64 USER MOD Single : A 118 THR OG1 : rot 52:sc= 0.769 USER MOD Single : A 120 THR OG1 : rot 73:sc= 0.574 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HEC O2A : rot 150:sc= 0.148 USER MOD Single : A 125 HEC O2D : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -10.064 -0.125 15.489 1.00 0.00 N ATOM 2 CA ASP A 1 -9.172 0.265 14.411 1.00 0.00 C ATOM 3 C ASP A 1 -7.722 0.095 14.868 1.00 0.00 C ATOM 4 O ASP A 1 -7.443 0.078 16.066 1.00 0.00 O ATOM 5 CB ASP A 1 -9.378 1.732 14.029 1.00 0.00 C ATOM 6 CG ASP A 1 -10.814 2.241 14.168 1.00 0.00 C ATOM 7 OD1 ASP A 1 -11.156 2.678 15.288 1.00 0.00 O ATOM 8 OD2 ASP A 1 -11.538 2.182 13.151 1.00 0.00 O ATOM 0 H1 ASP A 1 -10.985 -0.403 15.094 1.00 0.00 H new ATOM 0 H2 ASP A 1 -9.653 -0.928 16.007 1.00 0.00 H new ATOM 0 H3 ASP A 1 -10.194 0.676 16.139 1.00 0.00 H new ATOM 0 HA ASP A 1 -9.389 -0.366 13.549 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.728 2.348 14.650 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.057 1.871 12.997 1.00 0.00 H new ATOM 15 N VAL A 2 -6.837 -0.026 13.890 1.00 0.00 N ATOM 16 CA VAL A 2 -5.422 -0.194 14.177 1.00 0.00 C ATOM 17 C VAL A 2 -5.122 -1.680 14.385 1.00 0.00 C ATOM 18 O VAL A 2 -4.115 -2.188 13.893 1.00 0.00 O ATOM 19 CB VAL A 2 -5.025 0.669 15.376 1.00 0.00 C ATOM 20 CG1 VAL A 2 -3.504 0.785 15.488 1.00 0.00 C ATOM 21 CG2 VAL A 2 -5.675 2.052 15.294 1.00 0.00 C ATOM 0 H VAL A 2 -7.072 -0.011 12.898 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.818 0.146 13.335 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.391 0.179 16.278 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.249 1.404 16.348 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.072 -0.208 15.614 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.106 1.242 14.582 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.377 2.646 16.158 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.352 2.552 14.381 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.760 1.944 15.285 1.00 0.00 H new ATOM 31 N THR A 3 -6.013 -2.335 15.114 1.00 0.00 N ATOM 32 CA THR A 3 -5.856 -3.752 15.394 1.00 0.00 C ATOM 33 C THR A 3 -5.995 -4.568 14.107 1.00 0.00 C ATOM 34 O THR A 3 -5.652 -5.749 14.076 1.00 0.00 O ATOM 35 CB THR A 3 -6.873 -4.138 16.470 1.00 0.00 C ATOM 36 OG1 THR A 3 -6.462 -3.397 17.616 1.00 0.00 O ATOM 37 CG2 THR A 3 -6.741 -5.599 16.904 1.00 0.00 C ATOM 0 H THR A 3 -6.847 -1.910 15.520 1.00 0.00 H new ATOM 0 HA THR A 3 -4.859 -3.971 15.776 1.00 0.00 H new ATOM 0 HB THR A 3 -7.882 -3.961 16.097 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.068 -3.586 18.362 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.486 -5.820 17.669 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.900 -6.250 16.044 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.744 -5.770 17.309 1.00 0.00 H new ATOM 45 N ASN A 4 -6.499 -3.906 13.076 1.00 0.00 N ATOM 46 CA ASN A 4 -6.687 -4.555 11.789 1.00 0.00 C ATOM 47 C ASN A 4 -5.357 -4.577 11.034 1.00 0.00 C ATOM 48 O ASN A 4 -4.940 -5.620 10.534 1.00 0.00 O ATOM 49 CB ASN A 4 -7.704 -3.796 10.934 1.00 0.00 C ATOM 50 CG ASN A 4 -8.697 -3.031 11.811 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.134 -1.938 11.491 1.00 0.00 O ATOM 52 ND2 ASN A 4 -9.028 -3.665 12.932 1.00 0.00 N ATOM 0 H ASN A 4 -6.783 -2.927 13.105 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.051 -5.566 11.971 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.184 -3.100 10.276 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.242 -4.497 10.295 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.685 -3.238 13.585 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.625 -4.579 13.139 1.00 0.00 H new ATOM 59 N ALA A 5 -4.727 -3.413 10.976 1.00 0.00 N ATOM 60 CA ALA A 5 -3.452 -3.285 10.290 1.00 0.00 C ATOM 61 C ALA A 5 -2.476 -4.327 10.840 1.00 0.00 C ATOM 62 O ALA A 5 -1.805 -5.019 10.076 1.00 0.00 O ATOM 63 CB ALA A 5 -2.928 -1.856 10.447 1.00 0.00 C ATOM 0 H ALA A 5 -5.076 -2.550 11.393 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.570 -3.473 9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.972 -1.760 9.932 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.644 -1.156 10.015 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.794 -1.632 11.505 1.00 0.00 H new ATOM 69 N GLU A 6 -2.427 -4.406 12.162 1.00 0.00 N ATOM 70 CA GLU A 6 -1.544 -5.351 12.823 1.00 0.00 C ATOM 71 C GLU A 6 -1.755 -6.758 12.260 1.00 0.00 C ATOM 72 O GLU A 6 -0.805 -7.403 11.819 1.00 0.00 O ATOM 73 CB GLU A 6 -1.754 -5.330 14.339 1.00 0.00 C ATOM 74 CG GLU A 6 -0.624 -6.069 15.059 1.00 0.00 C ATOM 75 CD GLU A 6 0.743 -5.631 14.528 1.00 0.00 C ATOM 76 OE1 GLU A 6 1.203 -6.265 13.554 1.00 0.00 O ATOM 77 OE2 GLU A 6 1.297 -4.673 15.108 1.00 0.00 O ATOM 0 H GLU A 6 -2.985 -3.831 12.793 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.514 -5.053 12.628 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.800 -4.299 14.689 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.710 -5.793 14.584 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.682 -5.874 16.130 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.743 -7.144 14.924 1.00 0.00 H new ATOM 84 N LYS A 7 -3.006 -7.193 12.293 1.00 0.00 N ATOM 85 CA LYS A 7 -3.354 -8.511 11.792 1.00 0.00 C ATOM 86 C LYS A 7 -2.787 -8.681 10.381 1.00 0.00 C ATOM 87 O LYS A 7 -2.093 -9.658 10.101 1.00 0.00 O ATOM 88 CB LYS A 7 -4.865 -8.735 11.878 1.00 0.00 C ATOM 89 CG LYS A 7 -5.315 -8.886 13.332 1.00 0.00 C ATOM 90 CD LYS A 7 -5.309 -10.355 13.759 1.00 0.00 C ATOM 91 CE LYS A 7 -6.632 -10.738 14.426 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.404 -11.153 15.828 1.00 0.00 N ATOM 0 H LYS A 7 -3.791 -6.655 12.659 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.904 -9.286 12.413 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.387 -7.897 11.417 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.136 -9.628 11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.655 -8.312 13.982 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.317 -8.473 13.451 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.139 -10.989 12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.485 -10.533 14.449 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.319 -9.892 14.398 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.104 -11.550 13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.312 -11.410 16.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.766 -11.974 15.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.974 -10.368 16.357 1.00 0.00 H new ATOM 106 N LEU A 8 -3.102 -7.716 9.530 1.00 0.00 N ATOM 107 CA LEU A 8 -2.632 -7.747 8.155 1.00 0.00 C ATOM 108 C LEU A 8 -1.136 -8.064 8.140 1.00 0.00 C ATOM 109 O LEU A 8 -0.690 -8.939 7.400 1.00 0.00 O ATOM 110 CB LEU A 8 -2.993 -6.446 7.436 1.00 0.00 C ATOM 111 CG LEU A 8 -4.452 -6.305 6.996 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.612 -5.170 5.983 1.00 0.00 C ATOM 113 CD2 LEU A 8 -4.994 -7.632 6.460 1.00 0.00 C ATOM 0 H LEU A 8 -3.677 -6.907 9.766 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.132 -8.540 7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.750 -5.611 8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.358 -6.353 6.555 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.048 -6.043 7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.658 -5.091 5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.291 -4.231 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.001 -5.377 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.032 -7.504 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.400 -7.948 5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.936 -8.390 7.241 1.00 0.00 H new ATOM 125 N VAL A 9 -0.400 -7.333 8.965 1.00 0.00 N ATOM 126 CA VAL A 9 1.037 -7.525 9.056 1.00 0.00 C ATOM 127 C VAL A 9 1.328 -8.939 9.564 1.00 0.00 C ATOM 128 O VAL A 9 2.108 -9.693 8.987 1.00 0.00 O ATOM 129 CB VAL A 9 1.656 -6.435 9.932 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.165 -6.643 10.082 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.347 -5.043 9.377 1.00 0.00 C ATOM 0 H VAL A 9 -0.773 -6.607 9.576 1.00 0.00 H new ATOM 0 HA VAL A 9 1.498 -7.433 8.072 1.00 0.00 H new ATOM 0 HB VAL A 9 1.207 -6.507 10.923 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.580 -5.854 10.709 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.355 -7.612 10.544 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.636 -6.611 9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.799 -4.287 10.019 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.754 -4.954 8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.268 -4.895 9.346 1.00 0.00 H new ATOM 141 N TYR A 10 0.673 -9.284 10.675 1.00 0.00 N ATOM 142 CA TYR A 10 0.840 -10.588 11.285 1.00 0.00 C ATOM 143 C TYR A 10 0.332 -11.668 10.341 1.00 0.00 C ATOM 144 O TYR A 10 0.585 -12.845 10.594 1.00 0.00 O ATOM 145 CB TYR A 10 0.084 -10.628 12.610 1.00 0.00 C ATOM 146 CG TYR A 10 0.566 -11.711 13.546 1.00 0.00 C ATOM 147 CD1 TYR A 10 -0.009 -12.987 13.495 1.00 0.00 C ATOM 148 CD2 TYR A 10 1.587 -11.440 14.464 1.00 0.00 C ATOM 149 CE1 TYR A 10 0.438 -13.991 14.361 1.00 0.00 C ATOM 150 CE2 TYR A 10 2.034 -12.445 15.331 1.00 0.00 C ATOM 151 CZ TYR A 10 1.459 -13.720 15.280 1.00 0.00 C ATOM 152 OH TYR A 10 1.895 -14.699 16.124 1.00 0.00 O ATOM 0 H TYR A 10 0.022 -8.670 11.165 1.00 0.00 H new ATOM 0 HA TYR A 10 1.897 -10.771 11.479 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.182 -9.661 13.104 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.977 -10.778 12.410 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.797 -13.196 12.787 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.030 -10.456 14.504 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.005 -14.975 14.321 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.822 -12.236 16.039 1.00 0.00 H new ATOM 0 HH TYR A 10 2.608 -14.345 16.696 1.00 0.00 H new ATOM 162 N LYS A 11 -0.363 -11.259 9.290 1.00 0.00 N ATOM 163 CA LYS A 11 -0.893 -12.209 8.327 1.00 0.00 C ATOM 164 C LYS A 11 0.045 -12.284 7.121 1.00 0.00 C ATOM 165 O LYS A 11 0.777 -13.251 6.922 1.00 0.00 O ATOM 166 CB LYS A 11 -2.336 -11.854 7.962 1.00 0.00 C ATOM 167 CG LYS A 11 -3.181 -13.115 7.773 1.00 0.00 C ATOM 168 CD LYS A 11 -3.575 -13.718 9.123 1.00 0.00 C ATOM 169 CE LYS A 11 -5.064 -14.071 9.152 1.00 0.00 C ATOM 170 NZ LYS A 11 -5.248 -15.537 9.232 1.00 0.00 N ATOM 0 H LYS A 11 -0.571 -10.282 9.084 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.935 -13.208 8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.771 -11.235 8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.348 -11.263 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.078 -12.874 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.622 -13.848 7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.982 -14.612 9.313 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.350 -13.011 9.921 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.541 -13.592 10.007 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.553 -13.686 8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.264 -15.759 9.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.810 -15.988 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.799 -15.896 10.099 1.00 0.00 H new ATOM 184 N TYR A 12 0.007 -11.225 6.309 1.00 0.00 N ATOM 185 CA TYR A 12 0.834 -11.143 5.122 1.00 0.00 C ATOM 186 C TYR A 12 2.258 -11.564 5.455 1.00 0.00 C ATOM 187 O TYR A 12 2.977 -11.991 4.554 1.00 0.00 O ATOM 188 CB TYR A 12 0.804 -9.716 4.581 1.00 0.00 C ATOM 189 CG TYR A 12 -0.473 -9.375 3.851 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.702 -9.882 2.567 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.428 -8.551 4.459 1.00 0.00 C ATOM 192 CE1 TYR A 12 -1.886 -9.566 1.890 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.612 -8.235 3.782 1.00 0.00 C ATOM 194 CZ TYR A 12 -2.841 -8.742 2.498 1.00 0.00 C ATOM 195 OH TYR A 12 -3.995 -8.435 1.838 1.00 0.00 O ATOM 0 H TYR A 12 -0.593 -10.414 6.460 1.00 0.00 H new ATOM 0 HA TYR A 12 0.447 -11.816 4.357 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.937 -9.019 5.409 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.648 -9.574 3.906 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.035 -10.517 2.098 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.251 -8.159 5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.063 -9.958 0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.349 -7.600 4.251 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.645 -8.065 2.471 1.00 0.00 H new ATOM 205 N THR A 13 2.633 -11.440 6.720 1.00 0.00 N ATOM 206 CA THR A 13 3.972 -11.814 7.144 1.00 0.00 C ATOM 207 C THR A 13 4.078 -13.333 7.294 1.00 0.00 C ATOM 208 O THR A 13 4.982 -13.953 6.736 1.00 0.00 O ATOM 209 CB THR A 13 4.290 -11.052 8.431 1.00 0.00 C ATOM 210 OG1 THR A 13 4.294 -9.683 8.033 1.00 0.00 O ATOM 211 CG2 THR A 13 5.718 -11.301 8.922 1.00 0.00 C ATOM 0 H THR A 13 2.033 -11.086 7.465 1.00 0.00 H new ATOM 0 HA THR A 13 4.716 -11.540 6.396 1.00 0.00 H new ATOM 0 HB THR A 13 3.583 -11.343 9.208 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.374 -9.346 8.012 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.891 -10.737 9.838 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.855 -12.364 9.119 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.426 -10.980 8.158 1.00 0.00 H new ATOM 219 N ASN A 14 3.143 -13.887 8.051 1.00 0.00 N ATOM 220 CA ASN A 14 3.120 -15.322 8.282 1.00 0.00 C ATOM 221 C ASN A 14 3.026 -16.049 6.939 1.00 0.00 C ATOM 222 O ASN A 14 3.856 -16.904 6.633 1.00 0.00 O ATOM 223 CB ASN A 14 1.908 -15.725 9.124 1.00 0.00 C ATOM 224 CG ASN A 14 2.336 -16.541 10.345 1.00 0.00 C ATOM 225 OD1 ASN A 14 3.281 -17.311 10.309 1.00 0.00 O ATOM 226 ND2 ASN A 14 1.589 -16.330 11.425 1.00 0.00 N ATOM 0 H ASN A 14 2.396 -13.369 8.513 1.00 0.00 H new ATOM 0 HA ASN A 14 4.033 -15.593 8.812 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.373 -14.832 9.448 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.216 -16.308 8.516 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.794 -16.827 12.292 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.812 -15.671 11.387 1.00 0.00 H new ATOM 233 N ILE A 15 2.009 -15.682 6.173 1.00 0.00 N ATOM 234 CA ILE A 15 1.796 -16.289 4.871 1.00 0.00 C ATOM 235 C ILE A 15 3.115 -16.298 4.095 1.00 0.00 C ATOM 236 O ILE A 15 3.513 -17.328 3.553 1.00 0.00 O ATOM 237 CB ILE A 15 0.654 -15.587 4.133 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.704 -16.140 4.570 1.00 0.00 C ATOM 239 CG2 ILE A 15 0.846 -15.671 2.617 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.755 -15.030 4.629 1.00 0.00 C ATOM 0 H ILE A 15 1.324 -14.972 6.430 1.00 0.00 H new ATOM 0 HA ILE A 15 1.483 -17.327 4.982 1.00 0.00 H new ATOM 0 HB ILE A 15 0.673 -14.531 4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.026 -16.914 3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.611 -16.610 5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.021 -15.164 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.786 -15.192 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.869 -16.717 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.711 -15.450 4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.441 -14.269 5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.863 -14.578 3.643 1.00 0.00 H new ATOM 252 N ALA A 16 3.756 -15.139 4.067 1.00 0.00 N ATOM 253 CA ALA A 16 5.022 -15.001 3.367 1.00 0.00 C ATOM 254 C ALA A 16 6.046 -15.958 3.980 1.00 0.00 C ATOM 255 O ALA A 16 6.701 -16.714 3.264 1.00 0.00 O ATOM 256 CB ALA A 16 5.480 -13.542 3.424 1.00 0.00 C ATOM 0 H ALA A 16 3.423 -14.287 4.518 1.00 0.00 H new ATOM 0 HA ALA A 16 4.911 -15.267 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.430 -13.438 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.732 -12.907 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.605 -13.240 4.464 1.00 0.00 H new ATOM 262 N HIS A 17 6.152 -15.895 5.299 1.00 0.00 N ATOM 263 CA HIS A 17 7.085 -16.746 6.017 1.00 0.00 C ATOM 264 C HIS A 17 6.766 -18.215 5.727 1.00 0.00 C ATOM 265 O HIS A 17 7.657 -19.063 5.751 1.00 0.00 O ATOM 266 CB HIS A 17 7.078 -16.422 7.512 1.00 0.00 C ATOM 267 CG HIS A 17 8.225 -17.035 8.279 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.538 -16.628 8.116 1.00 0.00 N ATOM 269 CD2 HIS A 17 8.242 -18.027 9.215 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.302 -17.350 8.922 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.498 -18.217 9.602 1.00 0.00 N ATOM 0 H HIS A 17 5.607 -15.267 5.890 1.00 0.00 H new ATOM 0 HA HIS A 17 8.100 -16.554 5.669 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.107 -15.340 7.639 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.139 -16.769 7.944 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.862 -15.897 7.483 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.380 -18.566 9.580 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.374 -17.267 9.023 1.00 0.00 H new ATOM 279 N SER A 18 5.494 -18.469 5.460 1.00 0.00 N ATOM 280 CA SER A 18 5.047 -19.820 5.166 1.00 0.00 C ATOM 281 C SER A 18 5.549 -20.249 3.786 1.00 0.00 C ATOM 282 O SER A 18 5.668 -21.442 3.508 1.00 0.00 O ATOM 283 CB SER A 18 3.521 -19.922 5.231 1.00 0.00 C ATOM 284 OG SER A 18 3.069 -21.264 5.077 1.00 0.00 O ATOM 0 H SER A 18 4.759 -17.763 5.441 1.00 0.00 H new ATOM 0 HA SER A 18 5.461 -20.489 5.920 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.172 -19.529 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.082 -19.300 4.451 1.00 0.00 H new ATOM 0 HG SER A 18 2.090 -21.287 5.126 1.00 0.00 H new ATOM 290 N ALA A 19 5.832 -19.254 2.959 1.00 0.00 N ATOM 291 CA ALA A 19 6.319 -19.514 1.615 1.00 0.00 C ATOM 292 C ALA A 19 7.846 -19.600 1.638 1.00 0.00 C ATOM 293 O ALA A 19 8.447 -20.263 0.794 1.00 0.00 O ATOM 294 CB ALA A 19 5.811 -18.424 0.668 1.00 0.00 C ATOM 0 H ALA A 19 5.733 -18.266 3.193 1.00 0.00 H new ATOM 0 HA ALA A 19 5.940 -20.468 1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.176 -18.619 -0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.721 -18.423 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.174 -17.452 1.004 1.00 0.00 H new ATOM 300 N ASN A 20 8.430 -18.920 2.614 1.00 0.00 N ATOM 301 CA ASN A 20 9.876 -18.912 2.759 1.00 0.00 C ATOM 302 C ASN A 20 10.236 -18.660 4.224 1.00 0.00 C ATOM 303 O ASN A 20 9.799 -17.695 4.847 1.00 0.00 O ATOM 304 CB ASN A 20 10.507 -17.800 1.919 1.00 0.00 C ATOM 305 CG ASN A 20 10.327 -16.437 2.590 1.00 0.00 C ATOM 306 OD1 ASN A 20 11.277 -15.737 2.899 1.00 0.00 O ATOM 307 ND2 ASN A 20 9.057 -16.099 2.797 1.00 0.00 N ATOM 0 H ASN A 20 7.928 -18.371 3.312 1.00 0.00 H new ATOM 0 HA ASN A 20 10.254 -19.877 2.422 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.569 -18.003 1.779 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.052 -17.785 0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.832 -15.207 3.239 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.308 -16.731 2.514 1.00 0.00 H new ATOM 314 N PRO A 21 11.055 -19.564 4.767 1.00 0.00 N ATOM 315 CA PRO A 21 11.526 -19.521 6.135 1.00 0.00 C ATOM 316 C PRO A 21 12.724 -18.588 6.234 1.00 0.00 C ATOM 317 O PRO A 21 13.700 -18.943 6.893 1.00 0.00 O ATOM 318 CB PRO A 21 11.924 -20.960 6.457 1.00 0.00 C ATOM 319 CG PRO A 21 12.460 -21.432 5.088 1.00 0.00 C ATOM 320 CD PRO A 21 11.588 -20.711 4.063 1.00 0.00 C ATOM 0 HA PRO A 21 10.775 -19.148 6.831 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.683 -21.013 7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.077 -21.556 6.796 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.512 -21.175 4.964 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.382 -22.514 4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.171 -20.405 3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.789 -21.358 3.700 1.00 0.00 H new ATOM 328 N MET A 22 12.634 -17.435 5.588 1.00 0.00 N ATOM 329 CA MET A 22 13.723 -16.474 5.617 1.00 0.00 C ATOM 330 C MET A 22 13.189 -15.040 5.631 1.00 0.00 C ATOM 331 O MET A 22 13.773 -14.120 5.062 1.00 0.00 O ATOM 332 CB MET A 22 14.614 -16.675 4.389 1.00 0.00 C ATOM 333 CG MET A 22 13.870 -16.304 3.105 1.00 0.00 C ATOM 334 SD MET A 22 15.001 -16.297 1.724 1.00 0.00 S ATOM 335 CE MET A 22 14.085 -17.302 0.568 1.00 0.00 C ATOM 0 H MET A 22 11.823 -17.145 5.041 1.00 0.00 H new ATOM 0 HA MET A 22 14.301 -16.635 6.527 1.00 0.00 H new ATOM 0 HB2 MET A 22 15.512 -16.064 4.483 1.00 0.00 H new ATOM 0 HB3 MET A 22 14.940 -17.714 4.338 1.00 0.00 H new ATOM 0 HG2 MET A 22 13.065 -17.016 2.923 1.00 0.00 H new ATOM 0 HG3 MET A 22 13.409 -15.322 3.213 1.00 0.00 H new ATOM 0 HE1 MET A 22 14.652 -17.401 -0.357 1.00 0.00 H new ATOM 0 HE2 MET A 22 13.917 -18.290 0.998 1.00 0.00 H new ATOM 0 HE3 MET A 22 13.125 -16.830 0.357 1.00 0.00 H new ATOM 345 N TYR A 23 12.049 -14.869 6.304 1.00 0.00 N ATOM 346 CA TYR A 23 11.412 -13.572 6.410 1.00 0.00 C ATOM 347 C TYR A 23 10.553 -13.519 7.665 1.00 0.00 C ATOM 348 O TYR A 23 9.516 -14.181 7.704 1.00 0.00 O ATOM 349 CB TYR A 23 10.568 -13.318 5.165 1.00 0.00 C ATOM 350 CG TYR A 23 9.872 -11.977 5.171 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.622 -10.800 5.058 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.479 -11.912 5.289 1.00 0.00 C ATOM 353 CE1 TYR A 23 9.977 -9.557 5.064 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.835 -10.669 5.296 1.00 0.00 C ATOM 355 CZ TYR A 23 8.584 -9.492 5.183 1.00 0.00 C ATOM 356 OH TYR A 23 7.956 -8.281 5.189 1.00 0.00 O ATOM 0 H TYR A 23 11.553 -15.621 6.782 1.00 0.00 H new ATOM 0 HA TYR A 23 12.172 -12.794 6.482 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.206 -13.383 4.284 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.820 -14.106 5.076 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.697 -10.851 4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.901 -12.820 5.375 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.554 -8.649 4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.760 -10.618 5.389 1.00 0.00 H new ATOM 0 HH TYR A 23 6.989 -8.414 5.278 1.00 0.00 H new ATOM 366 N GLU A 24 10.989 -12.749 8.651 1.00 0.00 N ATOM 367 CA GLU A 24 10.243 -12.628 9.892 1.00 0.00 C ATOM 368 C GLU A 24 9.264 -11.456 9.811 1.00 0.00 C ATOM 369 O GLU A 24 8.086 -11.603 10.134 1.00 0.00 O ATOM 370 CB GLU A 24 11.187 -12.473 11.086 1.00 0.00 C ATOM 371 CG GLU A 24 11.802 -13.818 11.478 1.00 0.00 C ATOM 372 CD GLU A 24 11.070 -14.426 12.677 1.00 0.00 C ATOM 373 OE1 GLU A 24 11.435 -14.054 13.813 1.00 0.00 O ATOM 374 OE2 GLU A 24 10.162 -15.249 12.430 1.00 0.00 O ATOM 0 H GLU A 24 11.850 -12.203 8.616 1.00 0.00 H new ATOM 0 HA GLU A 24 9.671 -13.544 10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.979 -11.766 10.839 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.642 -12.058 11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.755 -14.504 10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.856 -13.683 11.721 1.00 0.00 H new ATOM 381 N ALA A 25 9.786 -10.318 9.377 1.00 0.00 N ATOM 382 CA ALA A 25 8.973 -9.121 9.250 1.00 0.00 C ATOM 383 C ALA A 25 9.725 -8.086 8.411 1.00 0.00 C ATOM 384 O ALA A 25 10.875 -8.273 8.021 1.00 0.00 O ATOM 385 CB ALA A 25 8.616 -8.596 10.642 1.00 0.00 C ATOM 0 H ALA A 25 10.763 -10.200 9.109 1.00 0.00 H new ATOM 0 HA ALA A 25 8.038 -9.345 8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.006 -7.698 10.547 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.058 -9.358 11.186 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.530 -8.358 11.186 1.00 0.00 H new ATOM 391 N PRO A 26 9.038 -6.974 8.139 1.00 0.00 N ATOM 392 CA PRO A 26 9.554 -5.865 7.365 1.00 0.00 C ATOM 393 C PRO A 26 10.582 -5.103 8.188 1.00 0.00 C ATOM 394 O PRO A 26 10.943 -5.568 9.268 1.00 0.00 O ATOM 395 CB PRO A 26 8.335 -4.994 7.068 1.00 0.00 C ATOM 396 CG PRO A 26 7.069 -5.849 7.490 1.00 0.00 C ATOM 397 CD PRO A 26 7.684 -6.721 8.582 1.00 0.00 C ATOM 0 HA PRO A 26 10.052 -6.182 6.449 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.378 -4.060 7.628 1.00 0.00 H new ATOM 0 HB3 PRO A 26 8.293 -4.731 6.011 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.254 -5.229 7.863 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.670 -6.437 6.664 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.672 -6.213 9.546 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.128 -7.651 8.705 1.00 0.00 H new ATOM 405 N SER A 27 11.030 -3.966 7.674 1.00 0.00 N ATOM 406 CA SER A 27 12.014 -3.163 8.378 1.00 0.00 C ATOM 407 C SER A 27 11.771 -1.677 8.103 1.00 0.00 C ATOM 408 O SER A 27 12.660 -0.851 8.307 1.00 0.00 O ATOM 409 CB SER A 27 13.436 -3.553 7.971 1.00 0.00 C ATOM 410 OG SER A 27 14.295 -3.694 9.100 1.00 0.00 O ATOM 0 H SER A 27 10.729 -3.583 6.778 1.00 0.00 H new ATOM 0 HA SER A 27 11.907 -3.350 9.446 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.410 -4.491 7.416 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.841 -2.796 7.299 1.00 0.00 H new ATOM 0 HG SER A 27 15.193 -3.945 8.798 1.00 0.00 H new ATOM 416 N ILE A 28 10.564 -1.383 7.643 1.00 0.00 N ATOM 417 CA ILE A 28 10.194 -0.012 7.337 1.00 0.00 C ATOM 418 C ILE A 28 11.294 0.633 6.492 1.00 0.00 C ATOM 419 O ILE A 28 11.538 1.834 6.595 1.00 0.00 O ATOM 420 CB ILE A 28 9.875 0.756 8.621 1.00 0.00 C ATOM 421 CG1 ILE A 28 11.098 0.822 9.538 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.658 0.159 9.330 1.00 0.00 C ATOM 423 CD1 ILE A 28 10.863 1.792 10.698 1.00 0.00 C ATOM 0 H ILE A 28 9.830 -2.071 7.475 1.00 0.00 H new ATOM 0 HA ILE A 28 9.280 0.012 6.743 1.00 0.00 H new ATOM 0 HB ILE A 28 9.619 1.781 8.351 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.318 -0.171 9.929 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.970 1.139 8.965 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.453 0.724 10.239 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.792 0.208 8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.860 -0.881 9.587 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.748 1.820 11.334 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.668 2.789 10.304 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.006 1.459 11.283 1.00 0.00 H new ATOM 435 N THR A 29 11.929 -0.194 5.675 1.00 0.00 N ATOM 436 CA THR A 29 12.998 0.280 4.812 1.00 0.00 C ATOM 437 C THR A 29 12.847 -0.304 3.406 1.00 0.00 C ATOM 438 O THR A 29 13.744 -0.170 2.575 1.00 0.00 O ATOM 439 CB THR A 29 14.332 -0.070 5.475 1.00 0.00 C ATOM 440 OG1 THR A 29 14.255 0.549 6.757 1.00 0.00 O ATOM 441 CG2 THR A 29 15.520 0.618 4.800 1.00 0.00 C ATOM 0 H THR A 29 11.724 -1.190 5.592 1.00 0.00 H new ATOM 0 HA THR A 29 12.955 1.362 4.687 1.00 0.00 H new ATOM 0 HB THR A 29 14.477 -1.150 5.451 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.836 -0.067 7.393 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.441 0.336 5.309 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.574 0.310 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.393 1.699 4.853 1.00 0.00 H new ATOM 449 N ASP A 30 11.706 -0.938 3.183 1.00 0.00 N ATOM 450 CA ASP A 30 11.426 -1.543 1.891 1.00 0.00 C ATOM 451 C ASP A 30 10.249 -0.817 1.237 1.00 0.00 C ATOM 452 O ASP A 30 10.212 -0.660 0.018 1.00 0.00 O ATOM 453 CB ASP A 30 11.045 -3.017 2.044 1.00 0.00 C ATOM 454 CG ASP A 30 11.366 -3.897 0.834 1.00 0.00 C ATOM 455 OD1 ASP A 30 12.521 -3.816 0.363 1.00 0.00 O ATOM 456 OD2 ASP A 30 10.448 -4.630 0.407 1.00 0.00 O ATOM 0 H ASP A 30 10.964 -1.046 3.875 1.00 0.00 H new ATOM 0 HA ASP A 30 12.325 -1.464 1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.560 -3.421 2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.976 -3.081 2.248 1.00 0.00 H new ATOM 461 N GLY A 31 9.316 -0.393 2.077 1.00 0.00 N ATOM 462 CA GLY A 31 8.141 0.314 1.596 1.00 0.00 C ATOM 463 C GLY A 31 8.472 1.771 1.270 1.00 0.00 C ATOM 464 O GLY A 31 7.817 2.687 1.766 1.00 0.00 O ATOM 0 H GLY A 31 9.350 -0.526 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.753 -0.182 0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.355 0.276 2.351 1.00 0.00 H new ATOM 468 N LYS A 32 9.490 1.942 0.439 1.00 0.00 N ATOM 469 CA LYS A 32 9.916 3.273 0.041 1.00 0.00 C ATOM 470 C LYS A 32 10.149 3.299 -1.471 1.00 0.00 C ATOM 471 O LYS A 32 9.436 3.986 -2.201 1.00 0.00 O ATOM 472 CB LYS A 32 11.133 3.712 0.858 1.00 0.00 C ATOM 473 CG LYS A 32 10.806 4.939 1.712 1.00 0.00 C ATOM 474 CD LYS A 32 10.632 6.184 0.840 1.00 0.00 C ATOM 475 CE LYS A 32 9.463 7.039 1.331 1.00 0.00 C ATOM 476 NZ LYS A 32 8.177 6.349 1.087 1.00 0.00 N ATOM 0 H LYS A 32 10.032 1.181 0.030 1.00 0.00 H new ATOM 0 HA LYS A 32 9.136 4.003 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.459 2.894 1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.962 3.941 0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.893 4.758 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.604 5.106 2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.549 6.773 0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.460 5.887 -0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.576 7.243 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.469 8.001 0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.398 7.035 1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.186 5.923 0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.042 5.604 1.800 1.00 0.00 H new ATOM 490 N ILE A 33 11.150 2.542 -1.896 1.00 0.00 N ATOM 491 CA ILE A 33 11.486 2.469 -3.308 1.00 0.00 C ATOM 492 C ILE A 33 10.357 1.761 -4.061 1.00 0.00 C ATOM 493 O ILE A 33 9.944 2.207 -5.130 1.00 0.00 O ATOM 494 CB ILE A 33 12.856 1.817 -3.500 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.961 2.667 -2.868 1.00 0.00 C ATOM 496 CG2 ILE A 33 13.127 1.535 -4.979 1.00 0.00 C ATOM 497 CD1 ILE A 33 15.212 1.828 -2.600 1.00 0.00 C ATOM 0 H ILE A 33 11.739 1.974 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 33 11.573 3.470 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 33 12.852 0.857 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.210 3.497 -3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.602 3.100 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.108 1.071 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.363 0.862 -5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.104 2.471 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.982 2.456 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.965 1.014 -1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.582 1.416 -3.539 1.00 0.00 H new ATOM 509 N PHE A 34 9.890 0.670 -3.472 1.00 0.00 N ATOM 510 CA PHE A 34 8.817 -0.104 -4.073 1.00 0.00 C ATOM 511 C PHE A 34 7.603 0.779 -4.368 1.00 0.00 C ATOM 512 O PHE A 34 6.780 0.445 -5.219 1.00 0.00 O ATOM 513 CB PHE A 34 8.418 -1.178 -3.060 1.00 0.00 C ATOM 514 CG PHE A 34 7.096 -1.877 -3.382 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.991 -2.658 -4.490 1.00 0.00 C ATOM 516 CD2 PHE A 34 6.024 -1.717 -2.559 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.764 -3.306 -4.788 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.797 -2.365 -2.858 1.00 0.00 C ATOM 519 CZ PHE A 34 4.693 -3.146 -3.966 1.00 0.00 C ATOM 0 H PHE A 34 10.235 0.304 -2.585 1.00 0.00 H new ATOM 0 HA PHE A 34 9.154 -0.538 -5.014 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.209 -1.926 -3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.345 -0.722 -2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.841 -2.785 -5.143 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.107 -1.097 -1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.681 -3.926 -5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.946 -2.238 -2.205 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.760 -3.639 -4.193 1.00 0.00 H new ATOM 529 N PHE A 35 7.529 1.888 -3.647 1.00 0.00 N ATOM 530 CA PHE A 35 6.429 2.821 -3.820 1.00 0.00 C ATOM 531 C PHE A 35 6.898 4.098 -4.521 1.00 0.00 C ATOM 532 O PHE A 35 6.134 5.053 -4.656 1.00 0.00 O ATOM 533 CB PHE A 35 5.921 3.179 -2.422 1.00 0.00 C ATOM 534 CG PHE A 35 4.816 4.236 -2.413 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.549 3.899 -2.777 1.00 0.00 C ATOM 536 CD2 PHE A 35 5.099 5.514 -2.041 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.523 4.881 -2.769 1.00 0.00 C ATOM 538 CE2 PHE A 35 4.073 6.495 -2.033 1.00 0.00 C ATOM 539 CZ PHE A 35 2.807 6.158 -2.397 1.00 0.00 C ATOM 0 H PHE A 35 8.213 2.161 -2.942 1.00 0.00 H new ATOM 0 HA PHE A 35 5.650 2.367 -4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.549 2.275 -1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.758 3.538 -1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.324 2.885 -3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.104 5.782 -1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.517 4.614 -3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.298 7.509 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.027 6.905 -2.391 1.00 0.00 H new ATOM 549 N ASN A 36 8.151 4.073 -4.949 1.00 0.00 N ATOM 550 CA ASN A 36 8.731 5.217 -5.633 1.00 0.00 C ATOM 551 C ASN A 36 9.650 4.724 -6.753 1.00 0.00 C ATOM 552 O ASN A 36 10.578 5.425 -7.153 1.00 0.00 O ATOM 553 CB ASN A 36 9.568 6.066 -4.674 1.00 0.00 C ATOM 554 CG ASN A 36 8.674 6.823 -3.690 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.459 6.835 -3.798 1.00 0.00 O ATOM 556 ND2 ASN A 36 9.341 7.451 -2.726 1.00 0.00 N ATOM 0 H ASN A 36 8.781 3.279 -4.836 1.00 0.00 H new ATOM 0 HA ASN A 36 7.916 5.821 -6.031 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.259 5.426 -4.125 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.171 6.774 -5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.834 7.984 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.359 7.400 -2.694 1.00 0.00 H new ATOM 563 N ARG A 37 9.360 3.521 -7.226 1.00 0.00 N ATOM 564 CA ARG A 37 10.149 2.926 -8.292 1.00 0.00 C ATOM 565 C ARG A 37 9.394 3.005 -9.620 1.00 0.00 C ATOM 566 O ARG A 37 8.578 2.137 -9.927 1.00 0.00 O ATOM 567 CB ARG A 37 10.475 1.463 -7.985 1.00 0.00 C ATOM 568 CG ARG A 37 11.548 0.929 -8.935 1.00 0.00 C ATOM 569 CD ARG A 37 12.532 0.019 -8.196 1.00 0.00 C ATOM 570 NE ARG A 37 11.894 -1.283 -7.901 1.00 0.00 N ATOM 571 CZ ARG A 37 11.861 -2.314 -8.756 1.00 0.00 C ATOM 572 NH1 ARG A 37 12.430 -2.201 -9.964 1.00 0.00 N ATOM 573 NH2 ARG A 37 11.259 -3.458 -8.403 1.00 0.00 N ATOM 0 H ARG A 37 8.590 2.942 -6.891 1.00 0.00 H new ATOM 0 HA ARG A 37 11.081 3.487 -8.367 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.819 1.372 -6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.572 0.859 -8.074 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.077 0.377 -9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.087 1.762 -9.386 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.425 -0.133 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.854 0.494 -7.269 1.00 0.00 H new ATOM 0 HE ARG A 37 11.452 -1.403 -6.990 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.888 -1.330 -10.232 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.405 -2.986 -10.615 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.826 -3.544 -7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.234 -4.243 -9.054 1.00 0.00 H new ATOM 587 N LYS A 38 9.691 4.055 -10.371 1.00 0.00 N ATOM 588 CA LYS A 38 9.050 4.259 -11.659 1.00 0.00 C ATOM 589 C LYS A 38 9.094 2.955 -12.458 1.00 0.00 C ATOM 590 O LYS A 38 10.082 2.669 -13.132 1.00 0.00 O ATOM 591 CB LYS A 38 9.678 5.448 -12.388 1.00 0.00 C ATOM 592 CG LYS A 38 9.167 5.542 -13.827 1.00 0.00 C ATOM 593 CD LYS A 38 9.941 6.600 -14.616 1.00 0.00 C ATOM 594 CE LYS A 38 9.781 7.983 -13.982 1.00 0.00 C ATOM 595 NZ LYS A 38 8.354 8.375 -13.947 1.00 0.00 N ATOM 0 H LYS A 38 10.367 4.774 -10.112 1.00 0.00 H new ATOM 0 HA LYS A 38 7.999 4.516 -11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.445 6.370 -11.855 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.763 5.346 -12.390 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.267 4.573 -14.316 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.106 5.790 -13.824 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.997 6.332 -14.651 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.584 6.624 -15.646 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.187 7.975 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.352 8.718 -14.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.279 9.395 -13.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.912 8.160 -14.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.867 7.846 -13.196 1.00 0.00 H new ATOM 609 N PHE A 39 8.010 2.200 -12.357 1.00 0.00 N ATOM 610 CA PHE A 39 7.912 0.933 -13.061 1.00 0.00 C ATOM 611 C PHE A 39 7.017 1.060 -14.296 1.00 0.00 C ATOM 612 O PHE A 39 6.222 1.992 -14.397 1.00 0.00 O ATOM 613 CB PHE A 39 7.285 -0.071 -12.092 1.00 0.00 C ATOM 614 CG PHE A 39 5.918 0.356 -11.553 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.804 0.189 -12.315 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.817 0.902 -10.311 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.536 0.585 -11.814 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.549 1.298 -9.811 1.00 0.00 C ATOM 619 CZ PHE A 39 3.435 1.131 -10.573 1.00 0.00 C ATOM 0 H PHE A 39 7.192 2.442 -11.798 1.00 0.00 H new ATOM 0 HA PHE A 39 8.900 0.615 -13.393 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.181 -1.032 -12.597 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.964 -0.223 -11.253 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.884 -0.245 -13.301 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.702 1.034 -9.706 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.651 0.452 -12.419 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.469 1.732 -8.825 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.470 1.432 -10.192 1.00 0.00 H new ATOM 629 N LYS A 40 7.177 0.108 -15.204 1.00 0.00 N ATOM 630 CA LYS A 40 6.394 0.101 -16.427 1.00 0.00 C ATOM 631 C LYS A 40 5.350 -1.015 -16.354 1.00 0.00 C ATOM 632 O LYS A 40 5.667 -2.142 -15.976 1.00 0.00 O ATOM 633 CB LYS A 40 7.309 0.008 -17.649 1.00 0.00 C ATOM 634 CG LYS A 40 7.571 1.393 -18.246 1.00 0.00 C ATOM 635 CD LYS A 40 7.367 1.384 -19.762 1.00 0.00 C ATOM 636 CE LYS A 40 8.692 1.603 -20.495 1.00 0.00 C ATOM 637 NZ LYS A 40 9.288 0.307 -20.888 1.00 0.00 N ATOM 0 H LYS A 40 7.838 -0.664 -15.116 1.00 0.00 H new ATOM 0 HA LYS A 40 5.850 1.039 -16.536 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.254 -0.454 -17.365 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.853 -0.636 -18.401 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.902 2.122 -17.790 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.589 1.706 -18.014 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.931 0.433 -20.068 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.659 2.164 -20.042 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.527 2.217 -21.380 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.384 2.148 -19.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.187 0.474 -21.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.463 -0.266 -20.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.634 -0.199 -21.518 1.00 0.00 H new ATOM 651 N THR A 41 4.127 -0.664 -16.722 1.00 0.00 N ATOM 652 CA THR A 41 3.035 -1.622 -16.702 1.00 0.00 C ATOM 653 C THR A 41 3.107 -2.537 -17.926 1.00 0.00 C ATOM 654 O THR A 41 3.643 -2.184 -18.974 1.00 0.00 O ATOM 655 CB THR A 41 1.723 -0.842 -16.604 1.00 0.00 C ATOM 656 OG1 THR A 41 1.643 -0.138 -17.840 1.00 0.00 O ATOM 657 CG2 THR A 41 1.777 0.264 -15.548 1.00 0.00 C ATOM 0 H THR A 41 3.868 0.271 -17.036 1.00 0.00 H new ATOM 0 HA THR A 41 3.103 -2.281 -15.837 1.00 0.00 H new ATOM 0 HB THR A 41 0.910 -1.529 -16.369 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.241 0.638 -17.814 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.821 0.787 -15.519 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.980 -0.175 -14.571 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.569 0.970 -15.800 1.00 0.00 H new ATOM 665 N PRO A 42 2.547 -3.739 -17.766 1.00 0.00 N ATOM 666 CA PRO A 42 2.500 -4.760 -18.790 1.00 0.00 C ATOM 667 C PRO A 42 1.616 -4.291 -19.938 1.00 0.00 C ATOM 668 O PRO A 42 1.532 -4.989 -20.947 1.00 0.00 O ATOM 669 CB PRO A 42 1.897 -5.980 -18.099 1.00 0.00 C ATOM 670 CG PRO A 42 0.993 -5.329 -16.979 1.00 0.00 C ATOM 671 CD PRO A 42 1.909 -4.186 -16.547 1.00 0.00 C ATOM 0 HA PRO A 42 3.480 -4.983 -19.213 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.313 -6.589 -18.789 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.665 -6.627 -17.675 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.037 -4.976 -17.365 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.773 -6.020 -16.165 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.342 -3.381 -16.080 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.645 -4.524 -15.817 1.00 0.00 H new ATOM 679 N SER A 43 0.983 -3.139 -19.767 1.00 0.00 N ATOM 680 CA SER A 43 0.114 -2.603 -20.801 1.00 0.00 C ATOM 681 C SER A 43 0.841 -1.503 -21.577 1.00 0.00 C ATOM 682 O SER A 43 0.220 -0.760 -22.336 1.00 0.00 O ATOM 683 CB SER A 43 -1.185 -2.061 -20.202 1.00 0.00 C ATOM 684 OG SER A 43 -1.083 -0.679 -19.869 1.00 0.00 O ATOM 0 H SER A 43 1.055 -2.563 -18.929 1.00 0.00 H new ATOM 0 HA SER A 43 -0.143 -3.412 -21.485 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.999 -2.204 -20.913 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.438 -2.632 -19.308 1.00 0.00 H new ATOM 0 HG SER A 43 -1.933 -0.370 -19.491 1.00 0.00 H new ATOM 690 N GLY A 44 2.146 -1.433 -21.360 1.00 0.00 N ATOM 691 CA GLY A 44 2.964 -0.436 -22.030 1.00 0.00 C ATOM 692 C GLY A 44 2.642 0.970 -21.519 1.00 0.00 C ATOM 693 O GLY A 44 1.951 1.735 -22.190 1.00 0.00 O ATOM 0 H GLY A 44 2.657 -2.051 -20.730 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.019 -0.655 -21.864 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.794 -0.484 -23.106 1.00 0.00 H new ATOM 697 N LYS A 45 3.158 1.268 -20.335 1.00 0.00 N ATOM 698 CA LYS A 45 2.934 2.568 -19.727 1.00 0.00 C ATOM 699 C LYS A 45 3.723 2.657 -18.419 1.00 0.00 C ATOM 700 O LYS A 45 3.726 1.716 -17.627 1.00 0.00 O ATOM 701 CB LYS A 45 1.436 2.831 -19.561 1.00 0.00 C ATOM 702 CG LYS A 45 1.141 4.332 -19.550 1.00 0.00 C ATOM 703 CD LYS A 45 -0.358 4.598 -19.707 1.00 0.00 C ATOM 704 CE LYS A 45 -0.907 5.370 -18.506 1.00 0.00 C ATOM 705 NZ LYS A 45 -0.914 4.513 -17.298 1.00 0.00 N ATOM 0 H LYS A 45 3.730 0.631 -19.781 1.00 0.00 H new ATOM 0 HA LYS A 45 3.303 3.361 -20.377 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.887 2.355 -20.374 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.085 2.381 -18.632 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.496 4.769 -18.617 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.687 4.819 -20.358 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.537 5.165 -20.621 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.890 3.652 -19.810 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.298 6.256 -18.327 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.918 5.716 -18.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.290 5.052 -16.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.513 3.680 -17.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.056 4.204 -17.086 1.00 0.00 H new ATOM 719 N GLU A 46 4.373 3.796 -18.233 1.00 0.00 N ATOM 720 CA GLU A 46 5.163 4.020 -17.035 1.00 0.00 C ATOM 721 C GLU A 46 4.305 4.665 -15.945 1.00 0.00 C ATOM 722 O GLU A 46 3.693 5.709 -16.169 1.00 0.00 O ATOM 723 CB GLU A 46 6.394 4.876 -17.342 1.00 0.00 C ATOM 724 CG GLU A 46 7.589 4.443 -16.490 1.00 0.00 C ATOM 725 CD GLU A 46 8.907 4.881 -17.132 1.00 0.00 C ATOM 726 OE1 GLU A 46 8.909 5.977 -17.732 1.00 0.00 O ATOM 727 OE2 GLU A 46 9.882 4.109 -17.008 1.00 0.00 O ATOM 0 H GLU A 46 4.369 4.574 -18.892 1.00 0.00 H new ATOM 0 HA GLU A 46 5.514 3.055 -16.670 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.646 4.791 -18.399 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.168 5.925 -17.152 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.505 4.875 -15.493 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.581 3.360 -16.370 1.00 0.00 H new ATOM 734 N ALA A 47 4.286 4.017 -14.790 1.00 0.00 N ATOM 735 CA ALA A 47 3.513 4.515 -13.665 1.00 0.00 C ATOM 736 C ALA A 47 4.304 4.302 -12.373 1.00 0.00 C ATOM 737 O ALA A 47 5.400 3.743 -12.397 1.00 0.00 O ATOM 738 CB ALA A 47 2.150 3.819 -13.635 1.00 0.00 C ATOM 0 H ALA A 47 4.794 3.151 -14.609 1.00 0.00 H new ATOM 0 HA ALA A 47 3.332 5.585 -13.768 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.569 4.192 -12.791 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.616 4.025 -14.562 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.293 2.744 -13.530 1.00 0.00 H new ATOM 744 N ALA A 48 3.719 4.758 -11.276 1.00 0.00 N ATOM 745 CA ALA A 48 4.356 4.625 -9.977 1.00 0.00 C ATOM 746 C ALA A 48 3.298 4.758 -8.879 1.00 0.00 C ATOM 747 O ALA A 48 2.281 5.422 -9.069 1.00 0.00 O ATOM 748 CB ALA A 48 5.468 5.667 -9.844 1.00 0.00 C ATOM 0 H ALA A 48 2.810 5.220 -11.260 1.00 0.00 H new ATOM 0 HA ALA A 48 4.816 3.642 -9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.946 5.567 -8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.208 5.511 -10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.043 6.666 -9.939 1.00 0.00 H new ATOM 754 N CYS A 49 3.575 4.115 -7.754 1.00 0.00 N ATOM 755 CA CYS A 49 2.660 4.152 -6.626 1.00 0.00 C ATOM 756 C CYS A 49 2.576 5.595 -6.124 1.00 0.00 C ATOM 757 O CYS A 49 1.706 5.927 -5.321 1.00 0.00 O ATOM 758 CB CYS A 49 3.087 3.187 -5.519 1.00 0.00 C ATOM 759 SG CYS A 49 3.346 1.459 -6.064 1.00 0.00 S ATOM 0 H CYS A 49 4.420 3.565 -7.600 1.00 0.00 H new ATOM 0 HA CYS A 49 1.672 3.820 -6.945 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.011 3.555 -5.073 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.329 3.196 -4.736 1.00 0.00 H new ATOM 764 N ALA A 50 3.493 6.414 -6.618 1.00 0.00 N ATOM 765 CA ALA A 50 3.533 7.814 -6.229 1.00 0.00 C ATOM 766 C ALA A 50 2.975 8.671 -7.367 1.00 0.00 C ATOM 767 O ALA A 50 3.038 9.898 -7.313 1.00 0.00 O ATOM 768 CB ALA A 50 4.966 8.200 -5.858 1.00 0.00 C ATOM 0 H ALA A 50 4.214 6.135 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 50 2.911 7.986 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.996 9.250 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.305 7.582 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.619 8.043 -6.717 1.00 0.00 H new ATOM 774 N SER A 51 2.441 7.990 -8.371 1.00 0.00 N ATOM 775 CA SER A 51 1.872 8.674 -9.520 1.00 0.00 C ATOM 776 C SER A 51 0.484 9.216 -9.172 1.00 0.00 C ATOM 777 O SER A 51 0.068 10.248 -9.696 1.00 0.00 O ATOM 778 CB SER A 51 1.790 7.742 -10.730 1.00 0.00 C ATOM 779 OG SER A 51 0.866 6.677 -10.522 1.00 0.00 O ATOM 0 H SER A 51 2.391 6.972 -8.412 1.00 0.00 H new ATOM 0 HA SER A 51 2.525 9.507 -9.780 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.492 8.314 -11.609 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.777 7.330 -10.938 1.00 0.00 H new ATOM 0 HG SER A 51 1.351 5.875 -10.236 1.00 0.00 H new ATOM 785 N CYS A 52 -0.193 8.496 -8.290 1.00 0.00 N ATOM 786 CA CYS A 52 -1.525 8.892 -7.865 1.00 0.00 C ATOM 787 C CYS A 52 -1.482 9.195 -6.366 1.00 0.00 C ATOM 788 O CYS A 52 -2.022 10.200 -5.911 1.00 0.00 O ATOM 789 CB CYS A 52 -2.567 7.823 -8.202 1.00 0.00 C ATOM 790 SG CYS A 52 -2.553 7.480 -10.000 1.00 0.00 S ATOM 0 H CYS A 52 0.156 7.640 -7.858 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.831 9.787 -8.406 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.355 6.909 -7.647 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.557 8.159 -7.895 1.00 0.00 H new ATOM 795 N HIS A 53 -0.827 8.297 -5.629 1.00 0.00 N ATOM 796 CA HIS A 53 -0.681 8.416 -4.183 1.00 0.00 C ATOM 797 C HIS A 53 0.526 9.314 -3.854 1.00 0.00 C ATOM 798 O HIS A 53 0.977 9.350 -2.710 1.00 0.00 O ATOM 799 CB HIS A 53 -0.606 7.009 -3.573 1.00 0.00 C ATOM 800 CG HIS A 53 -1.714 6.049 -3.940 1.00 0.00 C ATOM 801 ND1 HIS A 53 -3.002 6.312 -3.701 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.681 4.813 -4.540 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.743 5.280 -4.135 1.00 0.00 C ATOM 804 NE2 HIS A 53 -2.977 4.327 -4.662 1.00 0.00 N ATOM 0 H HIS A 53 -0.383 7.467 -6.021 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.545 8.905 -3.734 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.343 6.561 -3.867 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.589 7.109 -2.488 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.363 7.158 -3.261 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.788 4.300 -4.866 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.820 5.229 -4.066 1.00 0.00 H new ATOM 812 N THR A 54 1.008 10.011 -4.872 1.00 0.00 N ATOM 813 CA THR A 54 2.145 10.899 -4.700 1.00 0.00 C ATOM 814 C THR A 54 3.293 10.166 -4.003 1.00 0.00 C ATOM 815 O THR A 54 3.118 9.049 -3.518 1.00 0.00 O ATOM 816 CB THR A 54 1.666 12.139 -3.942 1.00 0.00 C ATOM 817 OG1 THR A 54 1.105 11.616 -2.741 1.00 0.00 O ATOM 818 CG2 THR A 54 0.489 12.830 -4.634 1.00 0.00 C ATOM 0 H THR A 54 0.632 9.979 -5.820 1.00 0.00 H new ATOM 0 HA THR A 54 2.544 11.222 -5.662 1.00 0.00 H new ATOM 0 HB THR A 54 2.491 12.844 -3.840 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.595 10.810 -2.475 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.188 13.703 -4.055 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.788 13.143 -5.634 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.349 12.136 -4.706 1.00 0.00 H new ATOM 826 N ASN A 55 4.442 10.825 -3.974 1.00 0.00 N ATOM 827 CA ASN A 55 5.619 10.250 -3.345 1.00 0.00 C ATOM 828 C ASN A 55 5.272 9.828 -1.916 1.00 0.00 C ATOM 829 O ASN A 55 5.916 8.944 -1.352 1.00 0.00 O ATOM 830 CB ASN A 55 6.758 11.268 -3.273 1.00 0.00 C ATOM 831 CG ASN A 55 6.312 12.541 -2.550 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.280 12.615 -1.333 1.00 0.00 O ATOM 833 ND2 ASN A 55 5.970 13.535 -3.365 1.00 0.00 N ATOM 0 H ASN A 55 4.583 11.752 -4.376 1.00 0.00 H new ATOM 0 HA ASN A 55 5.937 9.395 -3.942 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.610 10.830 -2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.093 11.516 -4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.658 14.426 -2.979 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.020 13.406 -4.376 1.00 0.00 H new ATOM 840 N ASN A 56 4.254 10.478 -1.371 1.00 0.00 N ATOM 841 CA ASN A 56 3.814 10.181 -0.018 1.00 0.00 C ATOM 842 C ASN A 56 2.298 9.978 -0.013 1.00 0.00 C ATOM 843 O ASN A 56 1.524 10.832 -0.440 1.00 0.00 O ATOM 844 CB ASN A 56 4.141 11.333 0.933 1.00 0.00 C ATOM 845 CG ASN A 56 4.527 10.809 2.318 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.183 9.791 2.463 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.086 11.560 3.323 1.00 0.00 N ATOM 0 H ASN A 56 3.721 11.209 -1.842 1.00 0.00 H new ATOM 0 HA ASN A 56 4.331 9.281 0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.959 11.926 0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.279 11.995 1.018 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.292 11.295 4.286 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.541 12.401 3.131 1.00 0.00 H new ATOM 854 N PRO A 57 1.886 8.811 0.487 1.00 0.00 N ATOM 855 CA PRO A 57 0.499 8.411 0.589 1.00 0.00 C ATOM 856 C PRO A 57 -0.193 9.241 1.661 1.00 0.00 C ATOM 857 O PRO A 57 -1.355 9.601 1.475 1.00 0.00 O ATOM 858 CB PRO A 57 0.545 6.936 0.983 1.00 0.00 C ATOM 859 CG PRO A 57 1.849 6.787 1.699 1.00 0.00 C ATOM 860 CD PRO A 57 2.769 7.784 0.996 1.00 0.00 C ATOM 0 HA PRO A 57 -0.056 8.561 -0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.294 6.669 1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.495 6.288 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.750 7.014 2.761 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.232 5.769 1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.502 8.200 1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.326 7.307 0.190 1.00 0.00 H new ATOM 868 N ALA A 58 0.516 9.523 2.744 1.00 0.00 N ATOM 869 CA ALA A 58 -0.052 10.307 3.827 1.00 0.00 C ATOM 870 C ALA A 58 -0.439 11.691 3.301 1.00 0.00 C ATOM 871 O ALA A 58 -1.167 12.429 3.962 1.00 0.00 O ATOM 872 CB ALA A 58 0.947 10.381 4.983 1.00 0.00 C ATOM 0 H ALA A 58 1.479 9.222 2.895 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.957 9.834 4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.520 10.969 5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.166 9.375 5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.868 10.852 4.639 1.00 0.00 H new ATOM 878 N ASN A 59 0.066 12.000 2.115 1.00 0.00 N ATOM 879 CA ASN A 59 -0.218 13.281 1.492 1.00 0.00 C ATOM 880 C ASN A 59 -1.462 13.152 0.612 1.00 0.00 C ATOM 881 O ASN A 59 -1.979 12.052 0.419 1.00 0.00 O ATOM 882 CB ASN A 59 0.945 13.732 0.605 1.00 0.00 C ATOM 883 CG ASN A 59 0.985 15.256 0.486 1.00 0.00 C ATOM 884 OD1 ASN A 59 -0.004 15.946 0.674 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.181 15.742 0.165 1.00 0.00 N ATOM 0 H ASN A 59 0.670 11.385 1.570 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.373 14.014 2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.886 13.371 1.021 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.844 13.289 -0.386 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.312 16.748 0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.967 15.108 0.022 1.00 0.00 H new ATOM 892 N VAL A 60 -1.908 14.290 0.101 1.00 0.00 N ATOM 893 CA VAL A 60 -3.082 14.318 -0.754 1.00 0.00 C ATOM 894 C VAL A 60 -2.705 13.810 -2.147 1.00 0.00 C ATOM 895 O VAL A 60 -1.799 14.346 -2.783 1.00 0.00 O ATOM 896 CB VAL A 60 -3.682 15.725 -0.773 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.748 15.852 -1.864 1.00 0.00 C ATOM 898 CG2 VAL A 60 -4.253 16.097 0.597 1.00 0.00 C ATOM 0 H VAL A 60 -1.477 15.200 0.263 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.854 13.655 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.881 16.427 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.158 16.862 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.299 15.651 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.547 15.134 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.673 17.102 0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.035 15.388 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.459 16.066 1.343 1.00 0.00 H new ATOM 908 N GLY A 61 -3.419 12.781 -2.580 1.00 0.00 N ATOM 909 CA GLY A 61 -3.171 12.195 -3.886 1.00 0.00 C ATOM 910 C GLY A 61 -4.108 12.787 -4.940 1.00 0.00 C ATOM 911 O GLY A 61 -4.882 13.697 -4.647 1.00 0.00 O ATOM 0 H GLY A 61 -4.169 12.338 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.135 12.370 -4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.310 11.115 -3.836 1.00 0.00 H new ATOM 915 N LYS A 62 -4.007 12.247 -6.146 1.00 0.00 N ATOM 916 CA LYS A 62 -4.836 12.711 -7.245 1.00 0.00 C ATOM 917 C LYS A 62 -4.885 11.634 -8.331 1.00 0.00 C ATOM 918 O LYS A 62 -3.856 11.064 -8.692 1.00 0.00 O ATOM 919 CB LYS A 62 -4.347 14.070 -7.749 1.00 0.00 C ATOM 920 CG LYS A 62 -5.114 14.499 -9.001 1.00 0.00 C ATOM 921 CD LYS A 62 -4.671 15.888 -9.466 1.00 0.00 C ATOM 922 CE LYS A 62 -5.614 16.433 -10.541 1.00 0.00 C ATOM 923 NZ LYS A 62 -4.962 16.398 -11.869 1.00 0.00 N ATOM 0 H LYS A 62 -3.364 11.493 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.860 12.872 -6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.473 14.819 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.281 14.017 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.949 13.775 -9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.184 14.505 -8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.650 16.570 -8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.656 15.837 -9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.530 15.842 -10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.901 17.456 -10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.616 16.771 -12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.101 16.981 -11.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.711 15.417 -12.107 1.00 0.00 H new ATOM 937 N ASN A 63 -6.090 11.388 -8.822 1.00 0.00 N ATOM 938 CA ASN A 63 -6.286 10.390 -9.860 1.00 0.00 C ATOM 939 C ASN A 63 -6.010 11.019 -11.226 1.00 0.00 C ATOM 940 O ASN A 63 -6.524 12.093 -11.535 1.00 0.00 O ATOM 941 CB ASN A 63 -7.726 9.872 -9.861 1.00 0.00 C ATOM 942 CG ASN A 63 -7.948 8.867 -8.729 1.00 0.00 C ATOM 943 OD1 ASN A 63 -7.018 8.345 -8.136 1.00 0.00 O ATOM 944 ND2 ASN A 63 -9.229 8.625 -8.463 1.00 0.00 N ATOM 0 H ASN A 63 -6.941 11.862 -8.520 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.604 9.562 -9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.417 10.708 -9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.946 9.401 -10.819 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.481 7.968 -7.724 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.959 9.096 -8.998 1.00 0.00 H new ATOM 951 N ILE A 64 -5.197 10.324 -12.009 1.00 0.00 N ATOM 952 CA ILE A 64 -4.846 10.802 -13.335 1.00 0.00 C ATOM 953 C ILE A 64 -5.912 10.350 -14.335 1.00 0.00 C ATOM 954 O ILE A 64 -5.741 10.504 -15.543 1.00 0.00 O ATOM 955 CB ILE A 64 -3.429 10.360 -13.706 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.415 8.906 -14.183 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.461 10.591 -12.544 1.00 0.00 C ATOM 958 CD1 ILE A 64 -2.005 8.478 -14.596 1.00 0.00 C ATOM 0 H ILE A 64 -4.772 9.434 -11.750 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.831 11.892 -13.355 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.086 10.975 -14.538 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.778 8.255 -13.388 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.096 8.790 -15.026 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.461 10.268 -12.834 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.442 11.651 -12.292 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.790 10.018 -11.677 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.023 7.441 -14.931 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.654 9.115 -15.408 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.332 8.573 -13.744 1.00 0.00 H new ATOM 970 N VAL A 65 -6.990 9.800 -13.793 1.00 0.00 N ATOM 971 CA VAL A 65 -8.084 9.325 -14.623 1.00 0.00 C ATOM 972 C VAL A 65 -9.098 10.454 -14.818 1.00 0.00 C ATOM 973 O VAL A 65 -9.447 10.790 -15.949 1.00 0.00 O ATOM 974 CB VAL A 65 -8.700 8.068 -14.005 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.998 7.686 -14.720 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.705 6.906 -14.017 1.00 0.00 C ATOM 0 H VAL A 65 -7.128 9.673 -12.790 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.720 9.041 -15.611 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.942 8.290 -12.966 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.416 6.790 -14.262 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.714 8.504 -14.636 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.790 7.492 -15.772 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.169 6.025 -13.572 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.417 6.684 -15.045 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.820 7.179 -13.443 1.00 0.00 H new ATOM 986 N THR A 66 -9.542 11.008 -13.700 1.00 0.00 N ATOM 987 CA THR A 66 -10.509 12.092 -13.734 1.00 0.00 C ATOM 988 C THR A 66 -9.847 13.410 -13.327 1.00 0.00 C ATOM 989 O THR A 66 -10.201 14.470 -13.839 1.00 0.00 O ATOM 990 CB THR A 66 -11.688 11.702 -12.840 1.00 0.00 C ATOM 991 OG1 THR A 66 -11.099 11.497 -11.559 1.00 0.00 O ATOM 992 CG2 THR A 66 -12.273 10.336 -13.204 1.00 0.00 C ATOM 0 H THR A 66 -9.250 10.726 -12.764 1.00 0.00 H new ATOM 0 HA THR A 66 -10.888 12.253 -14.743 1.00 0.00 H new ATOM 0 HB THR A 66 -12.466 12.461 -12.915 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.794 11.242 -10.916 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.106 10.108 -12.539 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.626 10.354 -14.235 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.504 9.571 -13.097 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.898 13.300 -12.409 1.00 0.00 N ATOM 1001 CA GLY A 67 -8.183 14.469 -11.928 1.00 0.00 C ATOM 1002 C GLY A 67 -8.988 15.198 -10.849 1.00 0.00 C ATOM 1003 O GLY A 67 -8.933 16.422 -10.749 1.00 0.00 O ATOM 0 H GLY A 67 -8.608 12.419 -11.986 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.216 14.168 -11.525 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.985 15.146 -12.759 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.716 14.413 -10.068 1.00 0.00 N ATOM 1008 CA LYS A 68 -10.531 14.968 -9.001 1.00 0.00 C ATOM 1009 C LYS A 68 -9.639 15.291 -7.800 1.00 0.00 C ATOM 1010 O LYS A 68 -9.050 16.369 -7.732 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.692 14.028 -8.670 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.855 14.229 -9.644 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.956 15.084 -9.014 1.00 0.00 C ATOM 1014 CE LYS A 68 -15.225 14.261 -8.783 1.00 0.00 C ATOM 1015 NZ LYS A 68 -16.291 15.105 -8.199 1.00 0.00 N ATOM 0 H LYS A 68 -9.758 13.397 -10.153 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.990 15.904 -9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.351 12.994 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.032 14.209 -7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.493 14.708 -10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.263 13.261 -9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.606 15.493 -8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.180 15.930 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.566 13.835 -9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.008 13.426 -8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.145 14.531 -8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.969 15.491 -7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.510 15.887 -8.849 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.568 14.337 -6.883 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.758 14.507 -5.688 1.00 0.00 C ATOM 1031 C GLU A 69 -8.845 13.259 -4.807 1.00 0.00 C ATOM 1032 O GLU A 69 -9.937 12.842 -4.422 1.00 0.00 O ATOM 1033 CB GLU A 69 -9.179 15.757 -4.913 1.00 0.00 C ATOM 1034 CG GLU A 69 -10.453 15.498 -4.106 1.00 0.00 C ATOM 1035 CD GLU A 69 -10.934 16.777 -3.416 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -11.462 17.648 -4.141 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -10.763 16.853 -2.180 1.00 0.00 O ATOM 0 H GLU A 69 -10.058 13.444 -6.943 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.720 14.642 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.375 16.062 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.345 16.581 -5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.235 15.120 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.264 14.726 -3.359 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.681 12.699 -4.513 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.613 11.508 -3.683 1.00 0.00 C ATOM 1046 C ILE A 70 -6.922 11.851 -2.362 1.00 0.00 C ATOM 1047 O ILE A 70 -5.699 11.837 -2.243 1.00 0.00 O ATOM 1048 CB ILE A 70 -6.946 10.361 -4.447 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.600 10.161 -5.815 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -6.948 9.076 -3.616 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.750 9.155 -5.732 1.00 0.00 C ATOM 0 H ILE A 70 -6.778 13.048 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.615 11.157 -3.437 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.904 10.628 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.973 11.115 -6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.856 9.810 -6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.469 8.277 -4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.402 9.242 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.975 8.793 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.197 9.032 -6.718 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.369 8.195 -5.384 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.504 9.521 -5.035 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.745 12.163 -1.359 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.309 12.518 -0.026 1.00 0.00 C ATOM 1065 C PRO A 71 -6.270 11.515 0.455 1.00 0.00 C ATOM 1066 O PRO A 71 -6.106 10.453 -0.142 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.572 12.449 0.830 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.670 12.785 -0.144 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.188 12.189 -1.465 1.00 0.00 C ATOM 0 HA PRO A 71 -6.846 13.504 0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.709 11.459 1.265 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.537 13.158 1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.623 12.354 0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.818 13.862 -0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.591 11.188 -1.617 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.511 12.794 -2.312 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.565 11.856 1.536 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.537 11.031 2.134 1.00 0.00 C ATOM 1079 C PRO A 72 -4.951 9.568 2.060 1.00 0.00 C ATOM 1080 O PRO A 72 -6.105 9.262 2.354 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.449 11.503 3.583 1.00 0.00 C ATOM 1082 CG PRO A 72 -4.919 12.916 3.543 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.731 13.097 2.262 1.00 0.00 C ATOM 0 HA PRO A 72 -3.576 11.116 1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.074 10.895 4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.429 11.434 3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.529 13.142 4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.072 13.602 3.559 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.781 13.287 2.484 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.369 13.946 1.682 1.00 0.00 H new ATOM 1091 N LEU A 73 -4.020 8.706 1.676 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.312 7.287 1.572 1.00 0.00 C ATOM 1093 C LEU A 73 -3.846 6.579 2.846 1.00 0.00 C ATOM 1094 O LEU A 73 -4.363 5.520 3.196 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.707 6.708 0.291 1.00 0.00 C ATOM 1096 CG LEU A 73 -3.759 5.185 0.153 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -5.044 4.741 -0.548 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -2.508 4.656 -0.553 1.00 0.00 C ATOM 0 H LEU A 73 -3.063 8.964 1.433 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.387 7.125 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.223 7.148 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.665 7.023 0.230 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.772 4.751 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.055 3.654 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.907 5.069 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.087 5.183 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.570 3.571 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.439 5.095 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.623 4.925 0.024 1.00 0.00 H new ATOM 1110 N ALA A 74 -2.874 7.194 3.503 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.332 6.636 4.731 1.00 0.00 C ATOM 1112 C ALA A 74 -3.468 6.025 5.553 1.00 0.00 C ATOM 1113 O ALA A 74 -4.201 6.709 6.264 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.578 7.725 5.497 1.00 0.00 C ATOM 0 H ALA A 74 -2.448 8.073 3.209 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.620 5.841 4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.171 7.307 6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.764 8.106 4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.261 8.539 5.739 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.599 4.701 5.438 1.00 0.00 N ATOM 1121 CA PRO A 75 -4.603 3.918 6.126 1.00 0.00 C ATOM 1122 C PRO A 75 -4.346 3.962 7.626 1.00 0.00 C ATOM 1123 O PRO A 75 -4.223 2.903 8.239 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.433 2.501 5.583 1.00 0.00 C ATOM 1125 CG PRO A 75 -3.586 2.614 4.339 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.755 3.866 4.612 1.00 0.00 C ATOM 0 HA PRO A 75 -5.615 4.290 5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.953 1.858 6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.401 2.055 5.353 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.958 1.735 4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.196 2.720 3.442 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.824 3.619 5.122 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.486 4.371 3.685 1.00 0.00 H new ATOM 1134 N ARG A 76 -4.268 5.163 8.180 1.00 0.00 N ATOM 1135 CA ARG A 76 -4.024 5.316 9.604 1.00 0.00 C ATOM 1136 C ARG A 76 -4.316 6.753 10.041 1.00 0.00 C ATOM 1137 O ARG A 76 -5.073 6.977 10.984 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.577 4.967 9.955 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.351 5.020 11.467 1.00 0.00 C ATOM 1140 CD ARG A 76 -1.432 3.886 11.925 1.00 0.00 C ATOM 1141 NE ARG A 76 -2.172 2.604 11.928 1.00 0.00 N ATOM 1142 CZ ARG A 76 -1.819 1.534 12.653 1.00 0.00 C ATOM 1143 NH1 ARG A 76 -0.734 1.585 13.438 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -2.550 0.413 12.593 1.00 0.00 N ATOM 0 H ARG A 76 -4.370 6.039 7.668 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.689 4.631 10.130 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.339 3.970 9.583 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.901 5.663 9.458 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.913 5.980 11.739 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.308 4.948 11.984 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.569 3.816 11.262 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.050 4.097 12.924 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.003 2.531 11.341 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.177 2.438 13.483 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.465 0.770 13.990 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.376 0.374 11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.281 -0.401 13.145 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.700 7.689 9.335 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.884 9.098 9.639 1.00 0.00 C ATOM 1160 C VAL A 77 -5.372 9.379 9.855 1.00 0.00 C ATOM 1161 O VAL A 77 -5.743 10.112 10.770 1.00 0.00 O ATOM 1162 CB VAL A 77 -3.269 9.957 8.532 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -3.851 11.371 8.547 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.743 9.990 8.648 1.00 0.00 C ATOM 0 H VAL A 77 -3.073 7.500 8.553 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.366 9.360 10.562 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.523 9.502 7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.397 11.960 7.750 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.929 11.322 8.393 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.643 11.840 9.509 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.331 10.607 7.850 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.460 10.409 9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.350 8.977 8.563 1.00 0.00 H new ATOM 1174 N ASN A 78 -6.186 8.780 8.997 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.625 8.956 9.083 1.00 0.00 C ATOM 1176 C ASN A 78 -8.232 7.789 9.865 1.00 0.00 C ATOM 1177 O ASN A 78 -7.667 6.697 9.895 1.00 0.00 O ATOM 1178 CB ASN A 78 -8.262 8.974 7.692 1.00 0.00 C ATOM 1179 CG ASN A 78 -7.378 9.725 6.694 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -6.342 10.273 7.033 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.843 9.720 5.448 1.00 0.00 N ATOM 0 H ASN A 78 -5.875 8.172 8.239 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.819 9.906 9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.419 7.952 7.347 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.242 9.448 7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.325 10.194 4.708 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.718 9.242 5.232 1.00 0.00 H new ATOM 1188 N THR A 79 -9.374 8.060 10.479 1.00 0.00 N ATOM 1189 CA THR A 79 -10.064 7.046 11.259 1.00 0.00 C ATOM 1190 C THR A 79 -10.903 6.150 10.346 1.00 0.00 C ATOM 1191 O THR A 79 -10.941 4.934 10.528 1.00 0.00 O ATOM 1192 CB THR A 79 -10.886 7.756 12.336 1.00 0.00 C ATOM 1193 OG1 THR A 79 -11.469 8.863 11.654 1.00 0.00 O ATOM 1194 CG2 THR A 79 -10.009 8.401 13.411 1.00 0.00 C ATOM 0 H THR A 79 -9.839 8.967 10.452 1.00 0.00 H new ATOM 0 HA THR A 79 -9.358 6.380 11.755 1.00 0.00 H new ATOM 0 HB THR A 79 -11.567 7.043 12.802 1.00 0.00 H new ATOM 0 HG1 THR A 79 -12.021 9.378 12.279 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.642 8.891 14.151 1.00 0.00 H new ATOM 0 HG22 THR A 79 -9.408 7.634 13.899 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.352 9.138 12.950 1.00 0.00 H new ATOM 1202 N LYS A 80 -11.554 6.785 9.383 1.00 0.00 N ATOM 1203 CA LYS A 80 -12.391 6.061 8.441 1.00 0.00 C ATOM 1204 C LYS A 80 -11.511 5.456 7.345 1.00 0.00 C ATOM 1205 O LYS A 80 -11.778 5.639 6.158 1.00 0.00 O ATOM 1206 CB LYS A 80 -13.504 6.965 7.907 1.00 0.00 C ATOM 1207 CG LYS A 80 -14.613 7.141 8.947 1.00 0.00 C ATOM 1208 CD LYS A 80 -15.948 6.613 8.420 1.00 0.00 C ATOM 1209 CE LYS A 80 -16.645 5.742 9.467 1.00 0.00 C ATOM 1210 NZ LYS A 80 -18.024 6.223 9.707 1.00 0.00 N ATOM 0 H LYS A 80 -11.519 7.794 9.234 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.896 5.233 8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.091 7.938 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.920 6.536 6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.345 6.613 9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.711 8.196 9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.593 7.449 8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.781 6.033 7.512 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.669 4.706 9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.080 5.761 10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.483 5.621 10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.995 7.204 10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.565 6.182 8.820 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.480 4.748 7.781 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.559 4.115 6.852 1.00 0.00 C ATOM 1226 C ARG A 81 -9.019 2.812 7.444 1.00 0.00 C ATOM 1227 O ARG A 81 -8.650 2.765 8.617 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.388 5.042 6.521 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.811 6.127 5.529 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.772 5.603 4.093 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.759 6.736 3.141 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.862 7.333 2.668 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -11.072 6.909 3.056 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.754 8.355 1.807 1.00 0.00 N ATOM 0 H ARG A 81 -10.262 4.598 8.766 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.108 3.900 5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.016 5.505 7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.567 4.461 6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.818 6.470 5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.150 6.989 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.887 4.984 3.947 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.638 4.969 3.905 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.854 7.084 2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.154 6.132 3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.911 7.363 2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.833 8.678 1.512 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.593 8.809 1.447 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.989 1.786 6.607 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.500 0.486 7.033 1.00 0.00 C ATOM 1250 C PHE A 82 -9.312 -0.045 8.216 1.00 0.00 C ATOM 1251 O PHE A 82 -8.762 -0.302 9.286 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.047 0.677 7.472 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.020 0.119 6.485 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.345 -0.021 5.172 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.781 -0.237 6.920 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.392 -0.539 4.255 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.828 -0.755 6.004 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.153 -0.895 4.691 1.00 0.00 C ATOM 0 H PHE A 82 -9.296 1.829 5.635 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.588 -0.230 6.216 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.858 1.741 7.614 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.904 0.196 8.440 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.328 0.262 4.826 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.522 -0.125 7.963 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.651 -0.650 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.845 -1.038 6.350 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.428 -1.289 3.994 1.00 0.00 H new ATOM 1268 N THR A 83 -10.608 -0.193 7.984 1.00 0.00 N ATOM 1269 CA THR A 83 -11.502 -0.688 9.017 1.00 0.00 C ATOM 1270 C THR A 83 -11.867 -2.150 8.750 1.00 0.00 C ATOM 1271 O THR A 83 -11.569 -3.026 9.560 1.00 0.00 O ATOM 1272 CB THR A 83 -12.716 0.240 9.076 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.155 1.532 9.295 1.00 0.00 O ATOM 1274 CG2 THR A 83 -13.580 -0.005 10.315 1.00 0.00 C ATOM 0 H THR A 83 -11.061 0.021 7.095 1.00 0.00 H new ATOM 0 HA THR A 83 -11.020 -0.679 9.995 1.00 0.00 H new ATOM 0 HB THR A 83 -13.320 0.105 8.179 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.874 2.197 9.345 1.00 0.00 H new ATOM 0 HG21 THR A 83 -14.428 0.680 10.308 1.00 0.00 H new ATOM 0 HG22 THR A 83 -13.943 -1.033 10.308 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.985 0.163 11.213 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.507 -2.368 7.611 1.00 0.00 N ATOM 1283 CA ASP A 84 -12.916 -3.708 7.227 1.00 0.00 C ATOM 1284 C ASP A 84 -11.773 -4.390 6.472 1.00 0.00 C ATOM 1285 O ASP A 84 -11.437 -3.993 5.358 1.00 0.00 O ATOM 1286 CB ASP A 84 -14.135 -3.669 6.303 1.00 0.00 C ATOM 1287 CG ASP A 84 -15.184 -2.615 6.661 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -15.364 -2.383 7.876 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -15.783 -2.064 5.712 1.00 0.00 O ATOM 0 H ASP A 84 -12.752 -1.639 6.941 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.169 -4.255 8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.794 -3.489 5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.610 -4.650 6.311 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.206 -5.403 7.110 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.108 -6.143 6.513 1.00 0.00 C ATOM 1296 C ILE A 85 -10.626 -6.936 5.312 1.00 0.00 C ATOM 1297 O ILE A 85 -10.017 -6.920 4.243 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.409 -7.007 7.565 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -8.740 -6.138 8.632 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -8.420 -7.974 6.911 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -8.382 -6.965 9.868 1.00 0.00 C ATOM 0 H ILE A 85 -11.487 -5.729 8.035 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.347 -5.458 6.139 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.165 -7.610 8.068 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.839 -5.682 8.222 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.408 -5.325 8.915 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.937 -8.576 7.681 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.953 -8.627 6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.665 -7.408 6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.908 -6.323 10.610 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.288 -7.400 10.290 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.694 -7.762 9.586 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.745 -7.612 5.528 1.00 0.00 N ATOM 1314 CA ASP A 86 -12.352 -8.410 4.476 1.00 0.00 C ATOM 1315 C ASP A 86 -12.254 -7.656 3.148 1.00 0.00 C ATOM 1316 O ASP A 86 -11.651 -8.146 2.195 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.832 -8.668 4.765 1.00 0.00 C ATOM 1318 CG ASP A 86 -14.456 -9.816 3.970 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -13.918 -10.940 4.080 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -15.456 -9.545 3.270 1.00 0.00 O ATOM 0 H ASP A 86 -12.247 -7.624 6.416 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.823 -9.362 4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.948 -8.878 5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.392 -7.756 4.557 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.856 -6.476 3.129 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.844 -5.649 1.934 1.00 0.00 C ATOM 1327 C LYS A 87 -11.600 -4.757 1.949 1.00 0.00 C ATOM 1328 O LYS A 87 -11.667 -3.600 2.360 1.00 0.00 O ATOM 1329 CB LYS A 87 -14.156 -4.872 1.807 1.00 0.00 C ATOM 1330 CG LYS A 87 -15.167 -5.641 0.953 1.00 0.00 C ATOM 1331 CD LYS A 87 -16.596 -5.188 1.255 1.00 0.00 C ATOM 1332 CE LYS A 87 -17.108 -4.231 0.177 1.00 0.00 C ATOM 1333 NZ LYS A 87 -18.090 -3.283 0.748 1.00 0.00 N ATOM 0 H LYS A 87 -13.355 -6.073 3.922 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.781 -6.271 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.574 -4.692 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.964 -3.897 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.948 -5.486 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.072 -6.710 1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.251 -6.057 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.627 -4.696 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.272 -3.681 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.569 -4.798 -0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.427 -2.641 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.895 -3.812 1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.639 -2.729 1.504 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.495 -5.330 1.495 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.239 -4.602 1.451 1.00 0.00 C ATOM 1349 C VAL A 88 -8.126 -5.541 0.981 1.00 0.00 C ATOM 1350 O VAL A 88 -7.194 -5.114 0.301 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.952 -3.970 2.814 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.768 -4.656 3.499 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.710 -2.465 2.681 1.00 0.00 C ATOM 0 H VAL A 88 -10.444 -6.290 1.154 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.298 -3.783 0.734 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.832 -4.114 3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.586 -4.187 4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.994 -5.712 3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.880 -4.558 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.508 -2.041 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.855 -2.290 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.594 -1.991 2.255 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.260 -6.803 1.363 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.278 -7.806 0.989 1.00 0.00 C ATOM 1365 C GLU A 89 -7.347 -8.084 -0.514 1.00 0.00 C ATOM 1366 O GLU A 89 -6.336 -8.010 -1.210 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.474 -9.092 1.794 1.00 0.00 C ATOM 1368 CG GLU A 89 -6.594 -10.219 1.250 1.00 0.00 C ATOM 1369 CD GLU A 89 -7.444 -11.408 0.796 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -8.005 -11.313 -0.317 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -7.514 -12.385 1.573 1.00 0.00 O ATOM 0 H GLU A 89 -9.034 -7.153 1.928 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.286 -7.418 1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.232 -8.910 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.521 -9.393 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.001 -9.850 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.893 -10.541 2.020 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.551 -8.398 -0.970 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.766 -8.687 -2.378 1.00 0.00 C ATOM 1380 C ASP A 90 -8.523 -7.418 -3.197 1.00 0.00 C ATOM 1381 O ASP A 90 -7.840 -7.457 -4.220 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.203 -9.145 -2.632 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.562 -9.362 -4.104 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -9.985 -10.299 -4.697 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.404 -8.585 -4.603 1.00 0.00 O ATOM 0 H ASP A 90 -9.388 -8.459 -0.389 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.077 -9.480 -2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.373 -10.076 -2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.884 -8.404 -2.213 1.00 0.00 H new ATOM 1390 N GLU A 91 -9.093 -6.323 -2.717 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.946 -5.045 -3.393 1.00 0.00 C ATOM 1392 C GLU A 91 -7.465 -4.705 -3.570 1.00 0.00 C ATOM 1393 O GLU A 91 -7.113 -3.859 -4.390 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.677 -3.936 -2.633 1.00 0.00 C ATOM 1395 CG GLU A 91 -11.183 -3.989 -2.899 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.580 -3.000 -3.997 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -10.983 -3.097 -5.091 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -12.472 -2.171 -3.719 1.00 0.00 O ATOM 0 H GLU A 91 -9.658 -6.294 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.400 -5.124 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.489 -4.038 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.285 -2.965 -2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.469 -4.999 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.726 -3.758 -1.983 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.638 -5.381 -2.786 1.00 0.00 N ATOM 1406 CA PHE A 92 -5.203 -5.161 -2.846 1.00 0.00 C ATOM 1407 C PHE A 92 -4.567 -5.993 -3.961 1.00 0.00 C ATOM 1408 O PHE A 92 -3.563 -5.589 -4.547 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.626 -5.608 -1.501 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.826 -4.523 -0.776 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.889 -3.804 -1.451 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -4.053 -4.277 0.542 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.147 -2.797 -0.778 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.311 -3.270 1.214 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.374 -2.552 0.540 1.00 0.00 C ATOM 0 H PHE A 92 -6.934 -6.081 -2.106 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.996 -4.110 -3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.443 -5.934 -0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.983 -6.473 -1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.709 -3.999 -2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.797 -4.847 1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.403 -2.226 -1.313 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.491 -3.075 2.261 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.810 -1.787 1.052 1.00 0.00 H new ATOM 1425 N THR A 93 -5.177 -7.140 -4.222 1.00 0.00 N ATOM 1426 CA THR A 93 -4.683 -8.032 -5.258 1.00 0.00 C ATOM 1427 C THR A 93 -5.249 -7.632 -6.621 1.00 0.00 C ATOM 1428 O THR A 93 -4.567 -7.746 -7.639 1.00 0.00 O ATOM 1429 CB THR A 93 -5.031 -9.466 -4.852 1.00 0.00 C ATOM 1430 OG1 THR A 93 -3.905 -9.894 -4.090 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.058 -10.422 -6.046 1.00 0.00 C ATOM 0 H THR A 93 -6.009 -7.472 -3.734 1.00 0.00 H new ATOM 0 HA THR A 93 -3.600 -7.961 -5.358 1.00 0.00 H new ATOM 0 HB THR A 93 -6.001 -9.477 -4.356 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.080 -9.623 -4.545 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.310 -11.426 -5.703 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.806 -10.086 -6.764 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.078 -10.437 -6.523 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.491 -7.172 -6.599 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.157 -6.754 -7.821 1.00 0.00 C ATOM 1441 C LYS A 94 -6.501 -5.475 -8.342 1.00 0.00 C ATOM 1442 O LYS A 94 -6.472 -5.226 -9.546 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.664 -6.623 -7.592 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.247 -7.917 -7.019 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.037 -8.680 -8.084 1.00 0.00 C ATOM 1446 CE LYS A 94 -11.349 -9.219 -7.511 1.00 0.00 C ATOM 1447 NZ LYS A 94 -11.139 -10.547 -6.893 1.00 0.00 N ATOM 0 H LYS A 94 -7.054 -7.079 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.040 -7.511 -8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.861 -5.797 -6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.159 -6.383 -8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.442 -8.546 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.897 -7.685 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.247 -8.022 -8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.436 -9.505 -8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.741 -8.524 -6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.095 -9.294 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.009 -10.845 -6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.901 -11.240 -7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.360 -10.491 -6.206 1.00 0.00 H new ATOM 1461 N HIS A 95 -5.982 -4.683 -7.403 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.316 -3.422 -7.708 1.00 0.00 C ATOM 1463 C HIS A 95 -4.007 -3.696 -8.470 1.00 0.00 C ATOM 1464 O HIS A 95 -3.807 -3.243 -9.595 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.135 -2.628 -6.406 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.738 -1.176 -6.546 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.715 -0.547 -7.725 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.348 -0.249 -5.609 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.326 0.723 -7.530 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.087 0.961 -6.242 1.00 0.00 N ATOM 0 H HIS A 95 -6.013 -4.901 -6.407 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.919 -2.802 -8.371 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.070 -2.673 -5.847 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.379 -3.131 -5.803 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -4.954 -0.963 -8.625 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.258 -0.432 -4.548 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.221 1.456 -8.316 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.118 -4.454 -7.824 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.838 -4.804 -8.407 1.00 0.00 C ATOM 1480 C CYS A 96 -2.058 -5.462 -9.762 1.00 0.00 C ATOM 1481 O CYS A 96 -1.162 -5.397 -10.603 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.089 -5.741 -7.464 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.278 -4.751 -6.184 1.00 0.00 S ATOM 0 H CYS A 96 -3.271 -4.835 -6.890 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.239 -3.905 -8.552 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.780 -6.452 -7.011 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.351 -6.322 -8.017 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.219 -6.072 -9.948 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.526 -6.730 -11.206 1.00 0.00 C ATOM 1490 C ASN A 97 -3.961 -5.682 -12.232 1.00 0.00 C ATOM 1491 O ASN A 97 -4.046 -5.973 -13.424 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.669 -7.733 -11.039 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.160 -9.170 -11.158 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.590 -9.574 -12.159 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.397 -9.919 -10.085 1.00 0.00 N ATOM 0 H ASN A 97 -3.959 -6.124 -9.248 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.631 -7.256 -11.538 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.143 -7.591 -10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.432 -7.550 -11.796 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.097 -10.894 -10.067 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.879 -9.519 -9.280 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.226 -4.485 -11.732 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.651 -3.392 -12.590 1.00 0.00 C ATOM 1504 C ASP A 98 -3.603 -2.278 -12.547 1.00 0.00 C ATOM 1505 O ASP A 98 -3.780 -1.229 -13.164 1.00 0.00 O ATOM 1506 CB ASP A 98 -5.983 -2.806 -12.118 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.219 -3.351 -12.835 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -7.060 -3.769 -14.002 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -8.296 -3.336 -12.201 1.00 0.00 O ATOM 0 H ASP A 98 -4.155 -4.247 -10.743 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.767 -3.783 -13.601 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.088 -2.996 -11.050 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.953 -1.724 -12.248 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.533 -2.543 -11.811 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.457 -1.577 -11.679 1.00 0.00 C ATOM 1516 C ILE A 99 -0.170 -2.170 -12.256 1.00 0.00 C ATOM 1517 O ILE A 99 0.487 -1.546 -13.087 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.324 -1.118 -10.225 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.639 -0.524 -9.715 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.155 -0.145 -10.062 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.864 0.879 -10.282 1.00 0.00 C ATOM 0 H ILE A 99 -2.389 -3.414 -11.300 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.680 -0.678 -12.254 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.105 -1.991 -9.610 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.469 -1.172 -9.998 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.625 -0.482 -8.626 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.083 0.166 -9.020 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.771 -0.636 -10.359 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.320 0.730 -10.691 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.805 1.278 -9.904 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.045 1.530 -9.977 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.902 0.830 -11.370 1.00 0.00 H new ATOM 1533 N LEU A 100 0.151 -3.369 -11.792 1.00 0.00 N ATOM 1534 CA LEU A 100 1.347 -4.054 -12.252 1.00 0.00 C ATOM 1535 C LEU A 100 0.963 -5.082 -13.318 1.00 0.00 C ATOM 1536 O LEU A 100 1.806 -5.512 -14.103 1.00 0.00 O ATOM 1537 CB LEU A 100 2.111 -4.651 -11.068 1.00 0.00 C ATOM 1538 CG LEU A 100 2.824 -3.651 -10.156 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.498 -4.363 -8.982 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.812 -2.793 -10.950 1.00 0.00 C ATOM 0 H LEU A 100 -0.397 -3.884 -11.102 1.00 0.00 H new ATOM 0 HA LEU A 100 2.033 -3.349 -12.722 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.411 -5.228 -10.464 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.851 -5.351 -11.455 1.00 0.00 H new ATOM 0 HG LEU A 100 2.076 -2.977 -9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.997 -3.629 -8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.746 -4.893 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.232 -5.075 -9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.305 -2.091 -10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.559 -3.435 -11.416 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.276 -2.241 -11.722 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.311 -5.446 -13.311 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.817 -6.416 -14.268 1.00 0.00 C ATOM 1554 C GLY A 101 -0.809 -7.826 -13.675 1.00 0.00 C ATOM 1555 O GLY A 101 -0.977 -8.808 -14.397 1.00 0.00 O ATOM 0 H GLY A 101 -1.008 -5.087 -12.658 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.832 -6.147 -14.562 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.207 -6.394 -15.171 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.612 -7.883 -12.366 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.579 -9.157 -11.669 1.00 0.00 C ATOM 1561 C ALA A 102 -0.758 -8.916 -10.168 1.00 0.00 C ATOM 1562 O ALA A 102 -0.980 -7.785 -9.739 1.00 0.00 O ATOM 1563 CB ALA A 102 0.728 -9.882 -11.991 1.00 0.00 C ATOM 0 H ALA A 102 -0.474 -7.067 -11.770 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.396 -9.797 -12.001 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.752 -10.838 -11.468 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.793 -10.055 -13.065 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.572 -9.271 -11.670 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.653 -9.999 -9.411 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.800 -9.920 -7.968 1.00 0.00 C ATOM 1571 C ASP A 103 0.565 -9.646 -7.335 1.00 0.00 C ATOM 1572 O ASP A 103 1.548 -10.343 -7.576 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.331 -11.236 -7.395 1.00 0.00 C ATOM 1574 CG ASP A 103 -1.901 -11.141 -5.979 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -1.505 -10.191 -5.270 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -2.719 -12.022 -5.636 1.00 0.00 O ATOM 0 H ASP A 103 -0.468 -10.935 -9.770 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.505 -9.119 -7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.108 -11.617 -8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.523 -11.968 -7.397 1.00 0.00 H new ATOM 1581 N CYS A 104 0.604 -8.598 -6.508 1.00 0.00 N ATOM 1582 CA CYS A 104 1.819 -8.202 -5.825 1.00 0.00 C ATOM 1583 C CYS A 104 2.267 -9.319 -4.893 1.00 0.00 C ATOM 1584 O CYS A 104 1.447 -10.171 -4.554 1.00 0.00 O ATOM 1585 CB CYS A 104 1.567 -6.914 -5.046 1.00 0.00 C ATOM 1586 SG CYS A 104 1.561 -5.525 -6.207 1.00 0.00 S ATOM 0 H CYS A 104 -0.203 -8.010 -6.300 1.00 0.00 H new ATOM 0 HA CYS A 104 2.611 -8.020 -6.552 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.614 -6.971 -4.520 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.340 -6.772 -4.291 1.00 0.00 H new ATOM 1591 N SER A 105 3.533 -9.298 -4.502 1.00 0.00 N ATOM 1592 CA SER A 105 4.058 -10.319 -3.612 1.00 0.00 C ATOM 1593 C SER A 105 3.443 -10.168 -2.220 1.00 0.00 C ATOM 1594 O SER A 105 3.208 -9.067 -1.727 1.00 0.00 O ATOM 1595 CB SER A 105 5.584 -10.245 -3.529 1.00 0.00 C ATOM 1596 OG SER A 105 6.130 -11.313 -2.760 1.00 0.00 O ATOM 0 H SER A 105 4.210 -8.590 -4.785 1.00 0.00 H new ATOM 0 HA SER A 105 3.790 -11.295 -4.016 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.003 -10.271 -4.535 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.877 -9.293 -3.086 1.00 0.00 H new ATOM 0 HG SER A 105 6.620 -10.947 -1.994 1.00 0.00 H new ATOM 1602 N PRO A 106 3.184 -11.316 -1.589 1.00 0.00 N ATOM 1603 CA PRO A 106 2.605 -11.407 -0.266 1.00 0.00 C ATOM 1604 C PRO A 106 3.514 -10.713 0.738 1.00 0.00 C ATOM 1605 O PRO A 106 3.056 -10.400 1.836 1.00 0.00 O ATOM 1606 CB PRO A 106 2.516 -12.905 0.019 1.00 0.00 C ATOM 1607 CG PRO A 106 3.538 -13.553 -0.929 1.00 0.00 C ATOM 1608 CD PRO A 106 3.448 -12.627 -2.140 1.00 0.00 C ATOM 0 HA PRO A 106 1.629 -10.927 -0.195 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.751 -13.123 1.061 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.511 -13.283 -0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.540 -13.575 -0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.275 -14.581 -1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.375 -12.635 -2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.652 -12.938 -2.817 1.00 0.00 H new ATOM 1616 N SER A 107 4.762 -10.490 0.354 1.00 0.00 N ATOM 1617 CA SER A 107 5.711 -9.835 1.238 1.00 0.00 C ATOM 1618 C SER A 107 5.684 -8.323 1.007 1.00 0.00 C ATOM 1619 O SER A 107 5.693 -7.546 1.960 1.00 0.00 O ATOM 1620 CB SER A 107 7.126 -10.379 1.027 1.00 0.00 C ATOM 1621 OG SER A 107 7.681 -9.955 -0.214 1.00 0.00 O ATOM 0 H SER A 107 5.138 -10.751 -0.557 1.00 0.00 H new ATOM 0 HA SER A 107 5.420 -10.044 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.767 -10.047 1.843 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.105 -11.468 1.061 1.00 0.00 H new ATOM 0 HG SER A 107 8.585 -10.322 -0.310 1.00 0.00 H new ATOM 1627 N GLU A 108 5.651 -7.951 -0.264 1.00 0.00 N ATOM 1628 CA GLU A 108 5.623 -6.546 -0.632 1.00 0.00 C ATOM 1629 C GLU A 108 4.389 -5.866 -0.036 1.00 0.00 C ATOM 1630 O GLU A 108 4.314 -4.639 0.012 1.00 0.00 O ATOM 1631 CB GLU A 108 5.661 -6.377 -2.153 1.00 0.00 C ATOM 1632 CG GLU A 108 6.849 -7.126 -2.758 1.00 0.00 C ATOM 1633 CD GLU A 108 8.059 -6.202 -2.914 1.00 0.00 C ATOM 1634 OE1 GLU A 108 7.826 -4.983 -3.063 1.00 0.00 O ATOM 1635 OE2 GLU A 108 9.189 -6.735 -2.879 1.00 0.00 O ATOM 0 H GLU A 108 5.643 -8.599 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 108 6.512 -6.065 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.733 -6.749 -2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.728 -5.318 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 108 7.112 -7.971 -2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.570 -7.533 -3.730 1.00 0.00 H new ATOM 1642 N LYS A 109 3.452 -6.692 0.405 1.00 0.00 N ATOM 1643 CA LYS A 109 2.226 -6.186 0.997 1.00 0.00 C ATOM 1644 C LYS A 109 2.474 -5.854 2.469 1.00 0.00 C ATOM 1645 O LYS A 109 2.510 -4.684 2.848 1.00 0.00 O ATOM 1646 CB LYS A 109 1.077 -7.171 0.774 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.275 -6.512 1.058 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.925 -6.016 -0.235 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.372 -7.190 -1.109 1.00 0.00 C ATOM 1650 NZ LYS A 109 -1.530 -6.759 -2.516 1.00 0.00 N ATOM 0 H LYS A 109 3.517 -7.709 0.364 1.00 0.00 H new ATOM 0 HA LYS A 109 1.921 -5.260 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.099 -7.535 -0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.206 -8.038 1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.935 -7.226 1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.139 -5.677 1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.783 -5.388 0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.219 -5.395 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.639 -7.995 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.315 -7.589 -0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.977 -7.521 -3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.128 -5.909 -2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.596 -6.544 -2.920 1.00 0.00 H new ATOM 1664 N ALA A 110 2.639 -6.904 3.260 1.00 0.00 N ATOM 1665 CA ALA A 110 2.884 -6.738 4.683 1.00 0.00 C ATOM 1666 C ALA A 110 3.847 -5.569 4.898 1.00 0.00 C ATOM 1667 O ALA A 110 3.796 -4.899 5.929 1.00 0.00 O ATOM 1668 CB ALA A 110 3.418 -8.048 5.265 1.00 0.00 C ATOM 0 H ALA A 110 2.608 -7.873 2.943 1.00 0.00 H new ATOM 0 HA ALA A 110 1.958 -6.502 5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.602 -7.924 6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.684 -8.840 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.349 -8.315 4.765 1.00 0.00 H new ATOM 1674 N ASN A 111 4.702 -5.359 3.908 1.00 0.00 N ATOM 1675 CA ASN A 111 5.675 -4.282 3.976 1.00 0.00 C ATOM 1676 C ASN A 111 4.949 -2.938 3.898 1.00 0.00 C ATOM 1677 O ASN A 111 4.941 -2.176 4.863 1.00 0.00 O ATOM 1678 CB ASN A 111 6.661 -4.356 2.808 1.00 0.00 C ATOM 1679 CG ASN A 111 7.572 -3.127 2.781 1.00 0.00 C ATOM 1680 OD1 ASN A 111 7.859 -2.558 1.741 1.00 0.00 O ATOM 1681 ND2 ASN A 111 8.008 -2.750 3.980 1.00 0.00 N ATOM 0 H ASN A 111 4.741 -5.916 3.055 1.00 0.00 H new ATOM 0 HA ASN A 111 6.220 -4.379 4.915 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.265 -5.259 2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.113 -4.428 1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.621 -1.940 4.068 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.729 -3.271 4.811 1.00 0.00 H new ATOM 1688 N PHE A 112 4.356 -2.689 2.739 1.00 0.00 N ATOM 1689 CA PHE A 112 3.628 -1.450 2.523 1.00 0.00 C ATOM 1690 C PHE A 112 2.707 -1.141 3.704 1.00 0.00 C ATOM 1691 O PHE A 112 2.659 -0.007 4.179 1.00 0.00 O ATOM 1692 CB PHE A 112 2.778 -1.645 1.265 1.00 0.00 C ATOM 1693 CG PHE A 112 2.029 -0.387 0.820 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.718 0.748 0.530 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.673 -0.406 0.714 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.023 1.915 0.116 1.00 0.00 C ATOM 1697 CE2 PHE A 112 -0.022 0.761 0.300 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.667 1.897 0.010 1.00 0.00 C ATOM 0 H PHE A 112 4.365 -3.324 1.941 1.00 0.00 H new ATOM 0 HA PHE A 112 4.328 -0.621 2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.422 -1.979 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.056 -2.441 1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.795 0.762 0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.125 -1.308 0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.571 2.817 -0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.099 0.746 0.215 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.138 2.784 -0.304 1.00 0.00 H new ATOM 1708 N ILE A 113 1.998 -2.170 4.145 1.00 0.00 N ATOM 1709 CA ILE A 113 1.080 -2.023 5.262 1.00 0.00 C ATOM 1710 C ILE A 113 1.833 -1.443 6.461 1.00 0.00 C ATOM 1711 O ILE A 113 1.266 -0.683 7.246 1.00 0.00 O ATOM 1712 CB ILE A 113 0.380 -3.350 5.559 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.806 -3.567 4.617 1.00 0.00 C ATOM 1714 CG2 ILE A 113 -0.033 -3.436 7.030 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.739 -4.947 3.960 1.00 0.00 C ATOM 0 H ILE A 113 2.041 -3.109 3.749 1.00 0.00 H new ATOM 0 HA ILE A 113 0.286 -1.320 5.012 1.00 0.00 H new ATOM 0 HB ILE A 113 1.089 -4.158 5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.739 -3.470 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.811 -2.794 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.528 -4.389 7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.852 -3.359 7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.717 -2.621 7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.593 -5.076 3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.183 -5.032 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.759 -5.718 4.730 1.00 0.00 H new ATOM 1727 N ALA A 114 3.098 -1.823 6.566 1.00 0.00 N ATOM 1728 CA ALA A 114 3.934 -1.350 7.656 1.00 0.00 C ATOM 1729 C ALA A 114 4.262 0.128 7.437 1.00 0.00 C ATOM 1730 O ALA A 114 3.791 1.014 8.148 1.00 0.00 O ATOM 1731 CB ALA A 114 5.190 -2.218 7.750 1.00 0.00 C ATOM 0 H ALA A 114 3.564 -2.453 5.914 1.00 0.00 H new ATOM 0 HA ALA A 114 3.408 -1.434 8.607 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.817 -1.863 8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.904 -3.253 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.745 -2.157 6.814 1.00 0.00 H new ATOM 1737 N TYR A 115 5.092 0.378 6.422 1.00 0.00 N ATOM 1738 CA TYR A 115 5.502 1.726 6.086 1.00 0.00 C ATOM 1739 C TYR A 115 4.312 2.669 6.190 1.00 0.00 C ATOM 1740 O TYR A 115 4.511 3.847 6.483 1.00 0.00 O ATOM 1741 CB TYR A 115 6.083 1.742 4.675 1.00 0.00 C ATOM 1742 CG TYR A 115 7.449 2.380 4.592 1.00 0.00 C ATOM 1743 CD1 TYR A 115 7.573 3.774 4.614 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.592 1.577 4.494 1.00 0.00 C ATOM 1745 CE1 TYR A 115 8.840 4.366 4.539 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.859 2.169 4.418 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.983 3.563 4.441 1.00 0.00 C ATOM 1748 OH TYR A 115 11.217 4.139 4.367 1.00 0.00 O ATOM 0 H TYR A 115 5.490 -0.344 5.822 1.00 0.00 H new ATOM 0 HA TYR A 115 6.268 2.062 6.785 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.146 0.719 4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.400 2.278 4.016 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.691 4.393 4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.497 0.501 4.477 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.935 5.442 4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.741 1.550 4.342 1.00 0.00 H new ATOM 0 HH TYR A 115 11.901 3.440 4.305 1.00 0.00 H new ATOM 1758 N LEU A 116 3.118 2.146 5.953 1.00 0.00 N ATOM 1759 CA LEU A 116 1.917 2.959 6.027 1.00 0.00 C ATOM 1760 C LEU A 116 1.537 3.169 7.494 1.00 0.00 C ATOM 1761 O LEU A 116 1.247 4.290 7.910 1.00 0.00 O ATOM 1762 CB LEU A 116 0.799 2.341 5.184 1.00 0.00 C ATOM 1763 CG LEU A 116 0.800 2.704 3.698 1.00 0.00 C ATOM 1764 CD1 LEU A 116 -0.155 1.803 2.913 1.00 0.00 C ATOM 1765 CD2 LEU A 116 0.486 4.188 3.495 1.00 0.00 C ATOM 0 H LEU A 116 2.957 1.169 5.709 1.00 0.00 H new ATOM 0 HA LEU A 116 2.098 3.946 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.862 1.256 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.158 2.641 5.610 1.00 0.00 H new ATOM 0 HG LEU A 116 1.802 2.531 3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.135 2.082 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.156 0.764 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.167 1.920 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.493 4.419 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.498 4.412 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.238 4.792 4.002 1.00 0.00 H new ATOM 1777 N LEU A 117 1.550 2.073 8.238 1.00 0.00 N ATOM 1778 CA LEU A 117 1.211 2.123 9.650 1.00 0.00 C ATOM 1779 C LEU A 117 2.485 2.340 10.469 1.00 0.00 C ATOM 1780 O LEU A 117 2.581 1.883 11.607 1.00 0.00 O ATOM 1781 CB LEU A 117 0.423 0.876 10.056 1.00 0.00 C ATOM 1782 CG LEU A 117 1.256 -0.361 10.399 1.00 0.00 C ATOM 1783 CD1 LEU A 117 1.469 -0.477 11.909 1.00 0.00 C ATOM 1784 CD2 LEU A 117 0.627 -1.625 9.809 1.00 0.00 C ATOM 0 H LEU A 117 1.790 1.145 7.890 1.00 0.00 H new ATOM 0 HA LEU A 117 0.553 2.968 9.854 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.194 1.125 10.919 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.256 0.619 9.243 1.00 0.00 H new ATOM 0 HG LEU A 117 2.240 -0.248 9.944 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.064 -1.364 12.125 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.992 0.408 12.272 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.503 -0.557 12.408 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.238 -2.490 10.067 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.376 -1.756 10.215 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.571 -1.531 8.725 1.00 0.00 H new ATOM 1796 N THR A 118 3.431 3.037 9.858 1.00 0.00 N ATOM 1797 CA THR A 118 4.695 3.319 10.516 1.00 0.00 C ATOM 1798 C THR A 118 4.742 4.777 10.979 1.00 0.00 C ATOM 1799 O THR A 118 4.973 5.052 12.155 1.00 0.00 O ATOM 1800 CB THR A 118 5.824 2.952 9.551 1.00 0.00 C ATOM 1801 OG1 THR A 118 5.856 1.528 9.580 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.201 3.366 10.075 1.00 0.00 C ATOM 0 H THR A 118 3.348 3.415 8.914 1.00 0.00 H new ATOM 0 HA THR A 118 4.812 2.720 11.419 1.00 0.00 H new ATOM 0 HB THR A 118 5.645 3.427 8.586 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.956 1.177 9.416 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.966 3.082 9.352 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.224 4.446 10.223 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.395 2.865 11.024 1.00 0.00 H new ATOM 1810 N GLU A 119 4.518 5.673 10.028 1.00 0.00 N ATOM 1811 CA GLU A 119 4.531 7.096 10.323 1.00 0.00 C ATOM 1812 C GLU A 119 3.296 7.773 9.726 1.00 0.00 C ATOM 1813 O GLU A 119 3.045 7.668 8.526 1.00 0.00 O ATOM 1814 CB GLU A 119 5.816 7.750 9.812 1.00 0.00 C ATOM 1815 CG GLU A 119 6.040 7.435 8.332 1.00 0.00 C ATOM 1816 CD GLU A 119 6.993 8.448 7.694 1.00 0.00 C ATOM 1817 OE1 GLU A 119 6.533 9.585 7.451 1.00 0.00 O ATOM 1818 OE2 GLU A 119 8.160 8.063 7.465 1.00 0.00 O ATOM 0 H GLU A 119 4.327 5.441 9.053 1.00 0.00 H new ATOM 0 HA GLU A 119 4.503 7.223 11.405 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.760 8.829 9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 119 6.666 7.396 10.396 1.00 0.00 H new ATOM 0 HG2 GLU A 119 6.449 6.430 8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.086 7.447 7.806 1.00 0.00 H new ATOM 1825 N THR A 120 2.557 8.453 10.590 1.00 0.00 N ATOM 1826 CA THR A 120 1.354 9.147 10.163 1.00 0.00 C ATOM 1827 C THR A 120 1.607 10.655 10.089 1.00 0.00 C ATOM 1828 O THR A 120 0.825 11.445 10.615 1.00 0.00 O ATOM 1829 CB THR A 120 0.223 8.767 11.121 1.00 0.00 C ATOM 1830 OG1 THR A 120 0.534 9.469 12.321 1.00 0.00 O ATOM 1831 CG2 THR A 120 0.271 7.293 11.528 1.00 0.00 C ATOM 0 H THR A 120 2.768 8.538 11.584 1.00 0.00 H new ATOM 0 HA THR A 120 1.061 8.848 9.157 1.00 0.00 H new ATOM 0 HB THR A 120 -0.737 8.983 10.653 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.352 10.424 12.198 1.00 0.00 H new ATOM 0 HG21 THR A 120 -0.553 7.076 12.208 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.183 6.667 10.640 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.217 7.084 12.027 1.00 0.00 H new ATOM 1839 N LYS A 121 2.701 11.007 9.431 1.00 0.00 N ATOM 1840 CA LYS A 121 3.066 12.406 9.281 1.00 0.00 C ATOM 1841 C LYS A 121 3.398 12.687 7.814 1.00 0.00 C ATOM 1842 O LYS A 121 3.888 11.832 7.080 1.00 0.00 O ATOM 1843 CB LYS A 121 4.194 12.771 10.248 1.00 0.00 C ATOM 1844 CG LYS A 121 3.788 12.490 11.696 1.00 0.00 C ATOM 1845 CD LYS A 121 5.011 12.475 12.615 1.00 0.00 C ATOM 1846 CE LYS A 121 4.882 13.530 13.716 1.00 0.00 C ATOM 1847 NZ LYS A 121 5.028 14.890 13.150 1.00 0.00 N ATOM 0 H LYS A 121 3.347 10.348 8.996 1.00 0.00 H new ATOM 0 HA LYS A 121 2.228 13.050 9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.089 12.200 10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.447 13.825 10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.084 13.250 12.034 1.00 0.00 H new ATOM 0 HG3 LYS A 121 3.273 11.531 11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.121 11.488 13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.912 12.662 12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 121 3.913 13.436 14.206 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.643 13.363 14.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 4.938 15.594 13.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 5.962 14.981 12.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.286 15.052 12.439 1.00 0.00 H new ATOM 1861 N PRO A 122 3.115 13.924 7.399 1.00 0.00 N ATOM 1862 CA PRO A 122 3.348 14.406 6.055 1.00 0.00 C ATOM 1863 C PRO A 122 4.821 14.748 5.883 1.00 0.00 C ATOM 1864 O PRO A 122 5.535 14.818 6.882 1.00 0.00 O ATOM 1865 CB PRO A 122 2.478 15.656 5.931 1.00 0.00 C ATOM 1866 CG PRO A 122 2.464 16.191 7.342 1.00 0.00 C ATOM 1867 CD PRO A 122 2.538 14.954 8.235 1.00 0.00 C ATOM 0 HA PRO A 122 3.101 13.668 5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 122 2.900 16.375 5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 122 1.475 15.418 5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 122 3.308 16.857 7.520 1.00 0.00 H new ATOM 0 HG3 PRO A 122 1.558 16.765 7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 122 3.154 15.139 9.115 1.00 0.00 H new ATOM 0 HD3 PRO A 122 1.550 14.665 8.592 1.00 0.00 H new ATOM 1875 N THR A 123 5.244 14.948 4.643 1.00 0.00 N ATOM 1876 CA THR A 123 6.632 15.278 4.370 1.00 0.00 C ATOM 1877 C THR A 123 6.899 16.755 4.670 1.00 0.00 C ATOM 1878 O THR A 123 7.730 17.079 5.517 1.00 0.00 O ATOM 1879 CB THR A 123 6.934 14.889 2.921 1.00 0.00 C ATOM 1880 OG1 THR A 123 7.073 13.471 2.965 1.00 0.00 O ATOM 1881 CG2 THR A 123 8.305 15.384 2.456 1.00 0.00 C ATOM 0 H THR A 123 4.649 14.888 3.816 1.00 0.00 H new ATOM 0 HA THR A 123 7.306 14.720 5.020 1.00 0.00 H new ATOM 0 HB THR A 123 6.161 15.294 2.267 1.00 0.00 H new ATOM 0 HG1 THR A 123 7.269 13.133 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 123 8.469 15.081 1.422 1.00 0.00 H new ATOM 0 HG22 THR A 123 8.342 16.471 2.526 1.00 0.00 H new ATOM 0 HG23 THR A 123 9.081 14.953 3.088 1.00 0.00 H new ATOM 1889 N LYS A 124 6.178 17.610 3.960 1.00 0.00 N ATOM 1890 CA LYS A 124 6.326 19.044 4.140 1.00 0.00 C ATOM 1891 C LYS A 124 5.381 19.515 5.247 1.00 0.00 C ATOM 1892 O LYS A 124 5.818 19.804 6.360 1.00 0.00 O ATOM 1893 CB LYS A 124 6.128 19.774 2.810 1.00 0.00 C ATOM 1894 CG LYS A 124 5.968 21.280 3.030 1.00 0.00 C ATOM 1895 CD LYS A 124 6.911 22.070 2.121 1.00 0.00 C ATOM 1896 CE LYS A 124 8.158 22.521 2.884 1.00 0.00 C ATOM 1897 NZ LYS A 124 9.340 22.517 1.993 1.00 0.00 N ATOM 1898 OXT LYS A 124 4.166 19.587 4.963 1.00 0.00 O ATOM 0 H LYS A 124 5.489 17.337 3.259 1.00 0.00 H new ATOM 0 HA LYS A 124 7.339 19.285 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 124 6.981 19.587 2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 124 5.247 19.381 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 124 4.937 21.572 2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 124 6.174 21.523 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.204 21.454 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 124 6.391 22.940 1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.003 23.522 3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.332 21.859 3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.178 22.826 2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.496 21.556 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.177 23.167 1.198 1.00 0.00 H new TER 1912 LYS A 124 HETATM 1913 FE HEC A 125 -3.514 2.644 -5.462 1.00 0.00 FE HETATM 1914 CHA HEC A 125 -6.361 2.516 -3.512 1.00 0.00 C HETATM 1915 CHB HEC A 125 -1.816 0.817 -3.083 1.00 0.00 C HETATM 1916 CHC HEC A 125 -0.669 2.619 -7.460 1.00 0.00 C HETATM 1917 CHD HEC A 125 -5.182 4.606 -7.751 1.00 0.00 C HETATM 1918 NA HEC A 125 -3.984 1.871 -3.656 1.00 0.00 N HETATM 1919 C1A HEC A 125 -5.227 1.857 -3.048 1.00 0.00 C HETATM 1920 C2A HEC A 125 -5.190 1.053 -1.849 1.00 0.00 C HETATM 1921 C3A HEC A 125 -3.931 0.581 -1.727 1.00 0.00 C HETATM 1922 C4A HEC A 125 -3.177 1.087 -2.849 1.00 0.00 C HETATM 1923 CMA HEC A 125 -3.377 -0.304 -0.649 1.00 0.00 C HETATM 1924 CAA HEC A 125 -6.359 0.815 -0.937 1.00 0.00 C HETATM 1925 CBA HEC A 125 -7.420 -0.115 -1.518 1.00 0.00 C HETATM 1926 CGA HEC A 125 -6.952 -1.563 -1.495 1.00 0.00 C HETATM 1927 O1A HEC A 125 -6.728 -2.105 -2.598 1.00 0.00 O HETATM 1928 O2A HEC A 125 -6.827 -2.100 -0.373 1.00 0.00 O HETATM 1929 NB HEC A 125 -1.609 1.934 -5.273 1.00 0.00 N HETATM 1930 C1B HEC A 125 -1.150 1.096 -4.271 1.00 0.00 C HETATM 1931 C2B HEC A 125 0.134 0.542 -4.631 1.00 0.00 C HETATM 1932 C3B HEC A 125 0.455 1.039 -5.844 1.00 0.00 C HETATM 1933 C4B HEC A 125 -0.627 1.907 -6.247 1.00 0.00 C HETATM 1934 CMB HEC A 125 0.928 -0.408 -3.782 1.00 0.00 C HETATM 1935 CAB HEC A 125 1.689 0.771 -6.656 1.00 0.00 C HETATM 1936 CBB HEC A 125 1.968 -0.711 -6.889 1.00 0.00 C HETATM 1937 NC HEC A 125 -3.089 3.354 -7.320 1.00 0.00 N HETATM 1938 C1C HEC A 125 -1.839 3.376 -7.916 1.00 0.00 C HETATM 1939 C2C HEC A 125 -1.814 4.337 -8.992 1.00 0.00 C HETATM 1940 C3C HEC A 125 -3.041 4.898 -9.053 1.00 0.00 C HETATM 1941 C4C HEC A 125 -3.838 4.288 -8.014 1.00 0.00 C HETATM 1942 CMC HEC A 125 -0.622 4.627 -9.858 1.00 0.00 C HETATM 1943 CAC HEC A 125 -3.528 5.955 -10.001 1.00 0.00 C HETATM 1944 CBC HEC A 125 -3.540 5.519 -11.463 1.00 0.00 C HETATM 1945 ND HEC A 125 -5.373 3.417 -5.598 1.00 0.00 N HETATM 1946 C1D HEC A 125 -5.889 4.178 -6.632 1.00 0.00 C HETATM 1947 C2D HEC A 125 -7.282 4.473 -6.390 1.00 0.00 C HETATM 1948 C3D HEC A 125 -7.612 3.895 -5.215 1.00 0.00 C HETATM 1949 C4D HEC A 125 -6.427 3.237 -4.719 1.00 0.00 C HETATM 1950 CMD HEC A 125 -8.160 5.278 -7.303 1.00 0.00 C HETATM 1951 CAD HEC A 125 -8.942 3.909 -4.520 1.00 0.00 C HETATM 1952 CBD HEC A 125 -8.941 4.660 -3.192 1.00 0.00 C HETATM 1953 CGD HEC A 125 -10.123 5.613 -3.100 1.00 0.00 C HETATM 1954 O1D HEC A 125 -9.866 6.817 -2.882 1.00 0.00 O HETATM 1955 O2D HEC A 125 -11.262 5.121 -3.250 1.00 0.00 O HETATM 0 HMD3 HEC A 125 -7.746 6.280 -7.416 1.00 0.00 H new HETATM 0 HMD2 HEC A 125 -8.211 4.795 -8.279 1.00 0.00 H new HETATM 0 HMD1 HEC A 125 -9.162 5.345 -6.879 1.00 0.00 H new HETATM 0 HMC3 HEC A 125 0.201 4.981 -9.237 1.00 0.00 H new HETATM 0 HMC2 HEC A 125 -0.320 3.718 -10.378 1.00 0.00 H new HETATM 0 HMC1 HEC A 125 -0.881 5.393 -10.589 1.00 0.00 H new HETATM 0 HMB3 HEC A 125 1.160 0.064 -2.827 1.00 0.00 H new HETATM 0 HMB2 HEC A 125 0.346 -1.313 -3.608 1.00 0.00 H new HETATM 0 HMB1 HEC A 125 1.855 -0.665 -4.294 1.00 0.00 H new HETATM 0 HMA3 HEC A 125 -3.479 0.191 0.317 1.00 0.00 H new HETATM 0 HMA2 HEC A 125 -3.926 -1.246 -0.634 1.00 0.00 H new HETATM 0 HMA1 HEC A 125 -2.323 -0.501 -0.846 1.00 0.00 H new HETATM 0 HBD2 HEC A 125 -8.980 3.948 -2.368 1.00 0.00 H new HETATM 0 HBD1 HEC A 125 -8.011 5.218 -3.087 1.00 0.00 H new HETATM 0 HBC3 HEC A 125 -2.529 5.252 -11.771 1.00 0.00 H new HETATM 0 HBC2 HEC A 125 -4.195 4.656 -11.580 1.00 0.00 H new HETATM 0 HBC1 HEC A 125 -3.904 6.338 -12.084 1.00 0.00 H new HETATM 0 HBB3 HEC A 125 2.099 -1.212 -5.930 1.00 0.00 H new HETATM 0 HBB2 HEC A 125 1.129 -1.160 -7.421 1.00 0.00 H new HETATM 0 HBB1 HEC A 125 2.875 -0.821 -7.483 1.00 0.00 H new HETATM 0 HBA2 HEC A 125 -8.344 -0.019 -0.947 1.00 0.00 H new HETATM 0 HBA1 HEC A 125 -7.646 0.181 -2.542 1.00 0.00 H new HETATM 0 HAD2 HEC A 125 -9.681 4.362 -5.181 1.00 0.00 H new HETATM 0 HAD1 HEC A 125 -9.259 2.881 -4.344 1.00 0.00 H new HETATM 0 HAA2 HEC A 125 -5.996 0.394 0.000 1.00 0.00 H new HETATM 0 HAA1 HEC A 125 -6.821 1.773 -0.698 1.00 0.00 H new HETATM 0 HHD HEC A 125 -5.706 5.231 -8.474 1.00 0.00 H new HETATM 0 HHC HEC A 125 0.217 2.607 -8.095 1.00 0.00 H new HETATM 0 HHB HEC A 125 -1.244 0.357 -2.277 1.00 0.00 H new HETATM 0 HHA HEC A 125 -7.261 2.471 -2.898 1.00 0.00 H new HETATM 0 H2D HEC A 125 -11.938 5.759 -2.938 1.00 0.00 H new HETATM 0 H2A HEC A 125 -6.999 -3.062 -0.450 1.00 0.00 H new