USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=29 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 12 TYR OH : rot 30:sc= -1.48 USER MOD Set 1.2: A 93 THR OG1 : rot -35:sc= 0.00278 USER MOD Set 1.3: A 109 LYS NZ :NH3+ -129:sc= -2.26! (180deg=-5.79!) USER MOD Set 2.1: A 56 ASN : amide:sc= -0.483 X(o=-0.57,f=-0.37) USER MOD Set 2.2: A 123 THR OG1 : rot 180:sc= -0.0825 USER MOD Set 3.1: A 41 THR OG1 : rot -73:sc= 0.22 USER MOD Set 3.2: A 43 SER OG : rot 59:sc= 1.13 USER MOD Set 4.1: A 20 ASN : amide:sc= -3.51! C(o=-3.6!,f=-8.1!) USER MOD Set 4.2: A 22 MET CE :methyl -132:sc= -0.124 (180deg=0) USER MOD Single : A 1 ASP N :NH3+ 171:sc= 0.668 (180deg=0.595) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -2.49! K(o=-2.5!,f=-0.16) 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 13 THR OG1 : rot 94:sc= 1.05 USER MOD Single : A 14 ASN : amide:sc= -0.0173 K(o=-0.017,f=-0.64) USER MOD Single : A 17 HIS : no HD1:sc= -3.24! C(o=-3.2!,f=-5.6!) USER MOD Single : A 18 SER OG : rot -22:sc= 0.341 USER MOD Single : A 23 TYR OH : rot 180:sc=-0.000596 USER MOD Single : A 27 SER OG : rot 180:sc= -0.403! USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00904 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.26 K(o=-2.3,f=-3.9!) USER MOD Single : A 38 LYS NZ :NH3+ 139:sc= -0.0961 (180deg=-0.602) 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 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 43:sc= -1.01! USER MOD Single : A 55 ASN : amide:sc= -0.358 K(o=-0.36,f=-1.3) USER MOD Single : A 59 ASN : amide:sc= 0.447 K(o=0.45,f=-7.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -8.36! C(o=-8.4!,f=-11!) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00595 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -3.56! C(o=-3.6!,f=-11!) USER MOD Single : A 79 THR OG1 : rot -2:sc= 0.813! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 151:sc= 0.67 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.2!) USER MOD Single : A 105 SER OG : rot 180:sc= 0.103 USER MOD Single : A 107 SER OG : rot -63:sc= 1.2 USER MOD Single : A 111 ASN : amide:sc= -4.2! C(o=-4.2!,f=-7!) USER MOD Single : A 115 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 118 THR OG1 : rot 65:sc= 1.15 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.00285 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ -142:sc= 0.949 (180deg=0.718) USER MOD Single : A 125 HEC O2A : rot 171:sc= -4.62! USER MOD Single : A 125 HEC O2D : rot 165:sc= -0.311 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.176 1.662 16.297 1.00 0.00 N ATOM 2 CA ASP A 1 -7.510 1.539 15.012 1.00 0.00 C ATOM 3 C ASP A 1 -6.114 0.947 15.219 1.00 0.00 C ATOM 4 O ASP A 1 -5.614 0.907 16.343 1.00 0.00 O ATOM 5 CB ASP A 1 -7.348 2.906 14.342 1.00 0.00 C ATOM 6 CG ASP A 1 -8.438 3.925 14.682 1.00 0.00 C ATOM 7 OD1 ASP A 1 -9.580 3.477 14.921 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.103 5.129 14.696 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.058 2.201 16.181 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.395 0.715 16.667 1.00 0.00 H new ATOM 0 H3 ASP A 1 -7.552 2.159 16.965 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.120 0.895 14.378 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -6.381 3.321 14.627 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.328 2.764 13.261 1.00 0.00 H new ATOM 15 N VAL A 2 -5.525 0.502 14.119 1.00 0.00 N ATOM 16 CA VAL A 2 -4.197 -0.086 14.167 1.00 0.00 C ATOM 17 C VAL A 2 -4.317 -1.581 14.471 1.00 0.00 C ATOM 18 O VAL A 2 -3.617 -2.397 13.874 1.00 0.00 O ATOM 19 CB VAL A 2 -3.330 0.662 15.181 1.00 0.00 C ATOM 20 CG1 VAL A 2 -1.844 0.382 14.944 1.00 0.00 C ATOM 21 CG2 VAL A 2 -3.616 2.165 15.145 1.00 0.00 C ATOM 0 H VAL A 2 -5.943 0.537 13.189 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.701 0.011 13.201 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.587 0.296 16.175 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.250 0.926 15.678 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.655 -0.687 15.044 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.568 0.707 13.941 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.986 2.673 15.876 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.401 2.552 14.149 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.665 2.342 15.385 1.00 0.00 H new ATOM 31 N THR A 3 -5.209 -1.894 15.398 1.00 0.00 N ATOM 32 CA THR A 3 -5.430 -3.276 15.788 1.00 0.00 C ATOM 33 C THR A 3 -5.563 -4.165 14.550 1.00 0.00 C ATOM 34 O THR A 3 -5.269 -5.358 14.603 1.00 0.00 O ATOM 35 CB THR A 3 -6.656 -3.320 16.702 1.00 0.00 C ATOM 36 OG1 THR A 3 -6.182 -2.805 17.944 1.00 0.00 O ATOM 37 CG2 THR A 3 -7.089 -4.750 17.033 1.00 0.00 C ATOM 0 H THR A 3 -5.788 -1.214 15.891 1.00 0.00 H new ATOM 0 HA THR A 3 -4.579 -3.671 16.343 1.00 0.00 H new ATOM 0 HB THR A 3 -7.482 -2.791 16.226 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.914 -2.796 18.595 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.963 -4.724 17.684 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.338 -5.277 16.112 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.275 -5.269 17.539 1.00 0.00 H new ATOM 45 N ASN A 4 -6.007 -3.549 13.464 1.00 0.00 N ATOM 46 CA ASN A 4 -6.183 -4.269 12.214 1.00 0.00 C ATOM 47 C ASN A 4 -4.850 -4.312 11.463 1.00 0.00 C ATOM 48 O ASN A 4 -4.389 -5.382 11.070 1.00 0.00 O ATOM 49 CB ASN A 4 -7.209 -3.575 11.318 1.00 0.00 C ATOM 50 CG ASN A 4 -8.144 -2.686 12.141 1.00 0.00 C ATOM 51 OD1 ASN A 4 -8.482 -1.577 11.761 1.00 0.00 O ATOM 52 ND2 ASN A 4 -8.540 -3.233 13.286 1.00 0.00 N ATOM 0 H ASN A 4 -6.250 -2.559 13.424 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.533 -5.274 12.450 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.695 -2.973 10.569 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.792 -4.323 10.780 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.165 -2.719 13.907 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.219 -4.166 13.543 1.00 0.00 H new ATOM 59 N ALA A 5 -4.270 -3.134 11.286 1.00 0.00 N ATOM 60 CA ALA A 5 -3.000 -3.023 10.589 1.00 0.00 C ATOM 61 C ALA A 5 -2.045 -4.103 11.102 1.00 0.00 C ATOM 62 O ALA A 5 -1.405 -4.796 10.313 1.00 0.00 O ATOM 63 CB ALA A 5 -2.437 -1.612 10.775 1.00 0.00 C ATOM 0 H ALA A 5 -4.656 -2.248 11.613 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.135 -3.183 9.519 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.484 -1.529 10.252 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.139 -0.884 10.369 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.286 -1.417 11.837 1.00 0.00 H new ATOM 69 N GLU A 6 -1.980 -4.213 12.421 1.00 0.00 N ATOM 70 CA GLU A 6 -1.114 -5.197 13.048 1.00 0.00 C ATOM 71 C GLU A 6 -1.455 -6.601 12.545 1.00 0.00 C ATOM 72 O GLU A 6 -0.565 -7.364 12.173 1.00 0.00 O ATOM 73 CB GLU A 6 -1.214 -5.122 14.573 1.00 0.00 C ATOM 74 CG GLU A 6 -0.650 -6.387 15.222 1.00 0.00 C ATOM 75 CD GLU A 6 0.843 -6.540 14.921 1.00 0.00 C ATOM 76 OE1 GLU A 6 1.151 -7.033 13.814 1.00 0.00 O ATOM 77 OE2 GLU A 6 1.641 -6.160 15.804 1.00 0.00 O ATOM 0 H GLU A 6 -2.513 -3.637 13.073 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.083 -4.974 12.772 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.669 -4.250 14.934 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.256 -4.992 14.867 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.805 -6.347 16.300 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.190 -7.260 14.855 1.00 0.00 H new ATOM 84 N LYS A 7 -2.746 -6.899 12.549 1.00 0.00 N ATOM 85 CA LYS A 7 -3.215 -8.198 12.097 1.00 0.00 C ATOM 86 C LYS A 7 -2.716 -8.449 10.673 1.00 0.00 C ATOM 87 O LYS A 7 -2.089 -9.473 10.402 1.00 0.00 O ATOM 88 CB LYS A 7 -4.735 -8.299 12.243 1.00 0.00 C ATOM 89 CG LYS A 7 -5.138 -8.428 13.713 1.00 0.00 C ATOM 90 CD LYS A 7 -5.220 -9.897 14.133 1.00 0.00 C ATOM 91 CE LYS A 7 -6.555 -10.198 14.816 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.368 -10.345 16.277 1.00 0.00 N ATOM 0 H LYS A 7 -3.482 -6.264 12.858 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.804 -8.990 12.723 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.205 -7.416 11.810 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.101 -9.161 11.685 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.414 -7.907 14.339 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.103 -7.946 13.873 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.103 -10.536 13.258 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.399 -10.131 14.811 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.263 -9.395 14.613 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.983 -11.112 14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.284 -10.549 16.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.708 -11.127 16.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.980 -9.463 16.668 1.00 0.00 H new ATOM 106 N LEU A 8 -3.012 -7.498 9.800 1.00 0.00 N ATOM 107 CA LEU A 8 -2.600 -7.603 8.410 1.00 0.00 C ATOM 108 C LEU A 8 -1.123 -7.995 8.348 1.00 0.00 C ATOM 109 O LEU A 8 -0.754 -8.929 7.639 1.00 0.00 O ATOM 110 CB LEU A 8 -2.927 -6.312 7.656 1.00 0.00 C ATOM 111 CG LEU A 8 -4.349 -6.199 7.103 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.474 -5.009 6.151 1.00 0.00 C ATOM 113 CD2 LEU A 8 -4.786 -7.509 6.444 1.00 0.00 C ATOM 0 H LEU A 8 -3.532 -6.651 10.028 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.160 -8.390 7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.751 -5.470 8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.227 -6.212 6.826 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.027 -6.016 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.494 -4.952 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.233 -4.090 6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.784 -5.136 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.800 -7.402 6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.110 -7.747 5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.760 -8.313 7.180 1.00 0.00 H new ATOM 125 N VAL A 9 -0.317 -7.260 9.101 1.00 0.00 N ATOM 126 CA VAL A 9 1.112 -7.519 9.141 1.00 0.00 C ATOM 127 C VAL A 9 1.354 -8.944 9.643 1.00 0.00 C ATOM 128 O VAL A 9 2.158 -9.700 9.102 1.00 0.00 O ATOM 129 CB VAL A 9 1.813 -6.458 9.992 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.322 -6.706 10.044 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.506 -5.051 9.476 1.00 0.00 C ATOM 0 H VAL A 9 -0.627 -6.485 9.688 1.00 0.00 H new ATOM 0 HA VAL A 9 1.541 -7.449 8.141 1.00 0.00 H new ATOM 0 HB VAL A 9 1.426 -6.534 11.008 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.796 -5.938 10.655 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.515 -7.686 10.480 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.732 -6.671 9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.016 -4.316 10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.852 -4.958 8.447 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.431 -4.876 9.515 1.00 0.00 H new ATOM 141 N TYR A 10 0.629 -9.298 10.707 1.00 0.00 N ATOM 142 CA TYR A 10 0.743 -10.613 11.304 1.00 0.00 C ATOM 143 C TYR A 10 0.198 -11.664 10.347 1.00 0.00 C ATOM 144 O TYR A 10 0.427 -12.851 10.574 1.00 0.00 O ATOM 145 CB TYR A 10 -0.019 -10.638 12.625 1.00 0.00 C ATOM 146 CG TYR A 10 0.470 -11.697 13.584 1.00 0.00 C ATOM 147 CD1 TYR A 10 -0.093 -12.979 13.558 1.00 0.00 C ATOM 148 CD2 TYR A 10 1.487 -11.398 14.499 1.00 0.00 C ATOM 149 CE1 TYR A 10 0.361 -13.961 14.446 1.00 0.00 C ATOM 150 CE2 TYR A 10 1.941 -12.380 15.387 1.00 0.00 C ATOM 151 CZ TYR A 10 1.378 -13.662 15.361 1.00 0.00 C ATOM 152 OH TYR A 10 1.820 -14.619 16.226 1.00 0.00 O ATOM 0 H TYR A 10 -0.043 -8.684 11.167 1.00 0.00 H new ATOM 0 HA TYR A 10 1.791 -10.838 11.500 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.064 -9.661 13.102 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.077 -10.804 12.422 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.878 -13.210 12.853 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.921 -10.409 14.519 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.073 -14.950 14.426 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.726 -12.149 16.092 1.00 0.00 H new ATOM 0 HH TYR A 10 2.529 -14.247 16.791 1.00 0.00 H new ATOM 162 N LYS A 11 -0.500 -11.219 9.313 1.00 0.00 N ATOM 163 CA LYS A 11 -1.065 -12.139 8.340 1.00 0.00 C ATOM 164 C LYS A 11 -0.112 -12.263 7.149 1.00 0.00 C ATOM 165 O LYS A 11 0.552 -13.277 6.947 1.00 0.00 O ATOM 166 CB LYS A 11 -2.480 -11.706 7.952 1.00 0.00 C ATOM 167 CG LYS A 11 -3.144 -12.747 7.048 1.00 0.00 C ATOM 168 CD LYS A 11 -3.487 -14.015 7.832 1.00 0.00 C ATOM 169 CE LYS A 11 -4.950 -14.411 7.620 1.00 0.00 C ATOM 170 NZ LYS A 11 -5.422 -15.266 8.733 1.00 0.00 N ATOM 0 H LYS A 11 -0.687 -10.234 9.127 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.168 -13.134 8.772 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.080 -11.564 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.442 -10.745 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.051 -12.329 6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.477 -12.995 6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.836 -14.830 7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.301 -13.852 8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.569 -13.516 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.056 -14.943 6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.416 -15.526 8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.842 -16.128 8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.340 -14.746 9.630 1.00 0.00 H new ATOM 184 N TYR A 12 -0.060 -11.191 6.354 1.00 0.00 N ATOM 185 CA TYR A 12 0.792 -11.151 5.183 1.00 0.00 C ATOM 186 C TYR A 12 2.176 -11.680 5.533 1.00 0.00 C ATOM 187 O TYR A 12 2.863 -12.181 4.644 1.00 0.00 O ATOM 188 CB TYR A 12 0.876 -9.717 4.666 1.00 0.00 C ATOM 189 CG TYR A 12 -0.348 -9.281 3.898 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.468 -9.590 2.538 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.363 -8.566 4.546 1.00 0.00 C ATOM 192 CE1 TYR A 12 -1.604 -9.186 1.826 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.499 -8.162 3.834 1.00 0.00 C ATOM 194 CZ TYR A 12 -2.619 -8.472 2.474 1.00 0.00 C ATOM 195 OH TYR A 12 -3.725 -8.078 1.780 1.00 0.00 O ATOM 0 H TYR A 12 -0.603 -10.341 6.508 1.00 0.00 H new ATOM 0 HA TYR A 12 0.371 -11.782 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.025 -9.043 5.510 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.751 -9.622 4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.316 -10.140 2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.270 -8.326 5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -1.697 -9.425 0.777 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.282 -7.611 4.334 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.904 -8.718 1.059 1.00 0.00 H new ATOM 205 N THR A 13 2.553 -11.564 6.797 1.00 0.00 N ATOM 206 CA THR A 13 3.855 -12.037 7.237 1.00 0.00 C ATOM 207 C THR A 13 3.871 -13.566 7.305 1.00 0.00 C ATOM 208 O THR A 13 4.848 -14.198 6.909 1.00 0.00 O ATOM 209 CB THR A 13 4.176 -11.366 8.573 1.00 0.00 C ATOM 210 OG1 THR A 13 4.388 -9.998 8.233 1.00 0.00 O ATOM 211 CG2 THR A 13 5.519 -11.819 9.149 1.00 0.00 C ATOM 0 H THR A 13 1.980 -11.149 7.532 1.00 0.00 H new ATOM 0 HA THR A 13 4.635 -11.766 6.526 1.00 0.00 H new ATOM 0 HB THR A 13 3.383 -11.584 9.288 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.552 -9.500 8.345 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.698 -11.312 10.097 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.500 -12.897 9.311 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.317 -11.571 8.449 1.00 0.00 H new ATOM 219 N ASN A 14 2.776 -14.115 7.812 1.00 0.00 N ATOM 220 CA ASN A 14 2.652 -15.557 7.938 1.00 0.00 C ATOM 221 C ASN A 14 2.632 -16.186 6.543 1.00 0.00 C ATOM 222 O ASN A 14 3.494 -16.999 6.213 1.00 0.00 O ATOM 223 CB ASN A 14 1.351 -15.938 8.647 1.00 0.00 C ATOM 224 CG ASN A 14 1.369 -17.408 9.072 1.00 0.00 C ATOM 225 OD1 ASN A 14 1.300 -18.316 8.261 1.00 0.00 O ATOM 226 ND2 ASN A 14 1.464 -17.589 10.386 1.00 0.00 N ATOM 0 H ASN A 14 1.967 -13.587 8.140 1.00 0.00 H new ATOM 0 HA ASN A 14 3.499 -15.919 8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.211 -15.304 9.523 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.505 -15.758 7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.483 -18.533 10.771 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.518 -16.783 11.009 1.00 0.00 H new ATOM 233 N ILE A 15 1.639 -15.787 5.763 1.00 0.00 N ATOM 234 CA ILE A 15 1.495 -16.302 4.412 1.00 0.00 C ATOM 235 C ILE A 15 2.862 -16.304 3.723 1.00 0.00 C ATOM 236 O ILE A 15 3.256 -17.301 3.122 1.00 0.00 O ATOM 237 CB ILE A 15 0.424 -15.518 3.650 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.979 -15.991 4.035 1.00 0.00 C ATOM 239 CG2 ILE A 15 0.661 -15.591 2.141 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.891 -14.804 4.350 1.00 0.00 C ATOM 0 H ILE A 15 0.926 -15.113 6.041 1.00 0.00 H new ATOM 0 HA ILE A 15 1.146 -17.334 4.434 1.00 0.00 H new ATOM 0 HB ILE A 15 0.499 -14.469 3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.406 -16.576 3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.920 -16.649 4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.114 -15.026 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.638 -15.168 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.629 -16.631 1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.882 -15.168 4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.474 -14.235 5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.968 -14.161 3.473 1.00 0.00 H new ATOM 252 N ALA A 16 3.546 -15.175 3.835 1.00 0.00 N ATOM 253 CA ALA A 16 4.860 -15.034 3.230 1.00 0.00 C ATOM 254 C ALA A 16 5.791 -16.112 3.787 1.00 0.00 C ATOM 255 O ALA A 16 6.503 -16.774 3.033 1.00 0.00 O ATOM 256 CB ALA A 16 5.389 -13.620 3.482 1.00 0.00 C ATOM 0 H ALA A 16 3.216 -14.350 4.335 1.00 0.00 H new ATOM 0 HA ALA A 16 4.803 -15.173 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.374 -13.514 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.707 -12.893 3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.463 -13.445 4.555 1.00 0.00 H new ATOM 262 N HIS A 17 5.757 -16.256 5.104 1.00 0.00 N ATOM 263 CA HIS A 17 6.589 -17.244 5.771 1.00 0.00 C ATOM 264 C HIS A 17 6.146 -18.649 5.361 1.00 0.00 C ATOM 265 O HIS A 17 6.967 -19.560 5.268 1.00 0.00 O ATOM 266 CB HIS A 17 6.571 -17.035 7.286 1.00 0.00 C ATOM 267 CG HIS A 17 7.827 -17.496 7.985 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.094 -17.120 7.575 1.00 0.00 N ATOM 269 CD2 HIS A 17 7.998 -18.305 9.070 1.00 0.00 C ATOM 270 CE1 HIS A 17 9.980 -17.684 8.383 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.299 -18.418 9.309 1.00 0.00 N ATOM 0 H HIS A 17 5.166 -15.705 5.727 1.00 0.00 H new ATOM 0 HA HIS A 17 7.626 -17.122 5.458 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.420 -15.976 7.494 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.718 -17.568 7.706 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.209 -18.774 9.638 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.053 -17.581 8.319 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.720 -18.964 10.061 1.00 0.00 H new ATOM 279 N SER A 18 4.849 -18.782 5.126 1.00 0.00 N ATOM 280 CA SER A 18 4.287 -20.061 4.728 1.00 0.00 C ATOM 281 C SER A 18 4.793 -20.444 3.336 1.00 0.00 C ATOM 282 O SER A 18 4.586 -21.569 2.884 1.00 0.00 O ATOM 283 CB SER A 18 2.758 -20.020 4.744 1.00 0.00 C ATOM 284 OG SER A 18 2.186 -21.272 4.374 1.00 0.00 O ATOM 0 H SER A 18 4.171 -18.024 5.204 1.00 0.00 H new ATOM 0 HA SER A 18 4.611 -20.815 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.413 -19.744 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.409 -19.246 4.061 1.00 0.00 H new ATOM 0 HG SER A 18 2.836 -21.787 3.852 1.00 0.00 H new ATOM 290 N ALA A 19 5.446 -19.487 2.694 1.00 0.00 N ATOM 291 CA ALA A 19 5.984 -19.709 1.363 1.00 0.00 C ATOM 292 C ALA A 19 7.495 -19.926 1.457 1.00 0.00 C ATOM 293 O ALA A 19 8.049 -20.773 0.757 1.00 0.00 O ATOM 294 CB ALA A 19 5.619 -18.529 0.461 1.00 0.00 C ATOM 0 H ALA A 19 5.615 -18.555 3.072 1.00 0.00 H new ATOM 0 HA ALA A 19 5.550 -20.605 0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.023 -18.696 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.534 -18.437 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.039 -17.612 0.874 1.00 0.00 H new ATOM 300 N ASN A 20 8.120 -19.146 2.327 1.00 0.00 N ATOM 301 CA ASN A 20 9.556 -19.243 2.522 1.00 0.00 C ATOM 302 C ASN A 20 9.876 -19.088 4.010 1.00 0.00 C ATOM 303 O ASN A 20 9.354 -18.219 4.703 1.00 0.00 O ATOM 304 CB ASN A 20 10.290 -18.135 1.763 1.00 0.00 C ATOM 305 CG ASN A 20 9.772 -16.754 2.171 1.00 0.00 C ATOM 306 OD1 ASN A 20 8.885 -16.615 2.998 1.00 0.00 O ATOM 307 ND2 ASN A 20 10.372 -15.745 1.547 1.00 0.00 N ATOM 0 H ASN A 20 7.658 -18.444 2.905 1.00 0.00 H new ATOM 0 HA ASN A 20 9.882 -20.214 2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.360 -18.200 1.963 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.157 -18.275 0.690 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.097 -14.784 1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.108 -15.932 0.865 1.00 0.00 H new ATOM 314 N PRO A 21 10.760 -19.966 4.491 1.00 0.00 N ATOM 315 CA PRO A 21 11.209 -20.001 5.866 1.00 0.00 C ATOM 316 C PRO A 21 12.361 -19.024 6.053 1.00 0.00 C ATOM 317 O PRO A 21 13.359 -19.395 6.668 1.00 0.00 O ATOM 318 CB PRO A 21 11.669 -21.440 6.091 1.00 0.00 C ATOM 319 CG PRO A 21 12.276 -21.762 4.691 1.00 0.00 C ATOM 320 CD PRO A 21 11.394 -21.001 3.704 1.00 0.00 C ATOM 0 HA PRO A 21 10.431 -19.714 6.574 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.405 -21.520 6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.844 -22.104 6.349 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.315 -21.438 4.625 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.263 -22.833 4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.985 -20.575 2.894 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.654 -21.659 3.247 1.00 0.00 H new ATOM 328 N MET A 22 12.207 -17.817 5.529 1.00 0.00 N ATOM 329 CA MET A 22 13.248 -16.811 5.650 1.00 0.00 C ATOM 330 C MET A 22 12.644 -15.412 5.788 1.00 0.00 C ATOM 331 O MET A 22 13.151 -14.426 5.257 1.00 0.00 O ATOM 332 CB MET A 22 14.150 -16.858 4.415 1.00 0.00 C ATOM 333 CG MET A 22 13.384 -16.433 3.160 1.00 0.00 C ATOM 334 SD MET A 22 14.316 -16.865 1.701 1.00 0.00 S ATOM 335 CE MET A 22 13.862 -15.511 0.631 1.00 0.00 C ATOM 0 H MET A 22 11.377 -17.513 5.020 1.00 0.00 H new ATOM 0 HA MET A 22 13.832 -17.025 6.545 1.00 0.00 H new ATOM 0 HB2 MET A 22 15.008 -16.202 4.562 1.00 0.00 H new ATOM 0 HB3 MET A 22 14.540 -17.867 4.283 1.00 0.00 H new ATOM 0 HG2 MET A 22 12.409 -16.920 3.136 1.00 0.00 H new ATOM 0 HG3 MET A 22 13.203 -15.358 3.181 1.00 0.00 H new ATOM 0 HE1 MET A 22 13.571 -15.900 -0.345 1.00 0.00 H new ATOM 0 HE2 MET A 22 13.025 -14.966 1.068 1.00 0.00 H new ATOM 0 HE3 MET A 22 14.712 -14.838 0.515 1.00 0.00 H new ATOM 345 N TYR A 23 11.533 -15.347 6.525 1.00 0.00 N ATOM 346 CA TYR A 23 10.839 -14.095 6.750 1.00 0.00 C ATOM 347 C TYR A 23 10.212 -14.095 8.137 1.00 0.00 C ATOM 348 O TYR A 23 9.210 -14.779 8.337 1.00 0.00 O ATOM 349 CB TYR A 23 9.772 -13.906 5.675 1.00 0.00 C ATOM 350 CG TYR A 23 9.343 -12.469 5.498 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.269 -11.509 5.073 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.019 -12.097 5.760 1.00 0.00 C ATOM 353 CE1 TYR A 23 9.871 -10.177 4.909 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.621 -10.765 5.596 1.00 0.00 C ATOM 355 CZ TYR A 23 8.547 -9.805 5.171 1.00 0.00 C ATOM 356 OH TYR A 23 8.159 -8.507 5.012 1.00 0.00 O ATOM 0 H TYR A 23 11.100 -16.154 6.974 1.00 0.00 H new ATOM 0 HA TYR A 23 11.546 -13.267 6.692 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.153 -14.283 4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.900 -14.508 5.930 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.290 -11.796 4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.305 -12.838 6.089 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.585 -9.436 4.580 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.600 -10.478 5.797 1.00 0.00 H new ATOM 0 HH TYR A 23 7.209 -8.420 5.235 1.00 0.00 H new ATOM 366 N GLU A 24 10.801 -13.342 9.054 1.00 0.00 N ATOM 367 CA GLU A 24 10.283 -13.270 10.410 1.00 0.00 C ATOM 368 C GLU A 24 9.323 -12.087 10.550 1.00 0.00 C ATOM 369 O GLU A 24 8.215 -12.239 11.061 1.00 0.00 O ATOM 370 CB GLU A 24 11.422 -13.175 11.428 1.00 0.00 C ATOM 371 CG GLU A 24 12.109 -14.530 11.609 1.00 0.00 C ATOM 372 CD GLU A 24 11.624 -15.224 12.884 1.00 0.00 C ATOM 373 OE1 GLU A 24 12.203 -14.924 13.950 1.00 0.00 O ATOM 374 OE2 GLU A 24 10.684 -16.040 12.763 1.00 0.00 O ATOM 0 H GLU A 24 11.632 -12.776 8.885 1.00 0.00 H new ATOM 0 HA GLU A 24 9.731 -14.187 10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.150 -12.435 11.096 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.031 -12.830 12.385 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.905 -15.163 10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.189 -14.391 11.654 1.00 0.00 H new ATOM 381 N ALA A 25 9.783 -10.934 10.086 1.00 0.00 N ATOM 382 CA ALA A 25 8.979 -9.726 10.153 1.00 0.00 C ATOM 383 C ALA A 25 9.380 -8.789 9.012 1.00 0.00 C ATOM 384 O ALA A 25 10.393 -8.972 8.342 1.00 0.00 O ATOM 385 CB ALA A 25 9.148 -9.076 11.527 1.00 0.00 C ATOM 0 H ALA A 25 10.703 -10.811 9.662 1.00 0.00 H new ATOM 0 HA ALA A 25 7.922 -9.961 10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.545 -8.170 11.577 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.823 -9.771 12.301 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.197 -8.823 11.683 1.00 0.00 H new ATOM 391 N PRO A 26 8.547 -7.765 8.804 1.00 0.00 N ATOM 392 CA PRO A 26 8.732 -6.758 7.781 1.00 0.00 C ATOM 393 C PRO A 26 9.600 -5.632 8.324 1.00 0.00 C ATOM 394 O PRO A 26 10.115 -5.762 9.434 1.00 0.00 O ATOM 395 CB PRO A 26 7.324 -6.260 7.464 1.00 0.00 C ATOM 396 CG PRO A 26 6.554 -6.505 8.752 1.00 0.00 C ATOM 397 CD PRO A 26 7.347 -7.520 9.573 1.00 0.00 C ATOM 0 HA PRO A 26 9.231 -7.143 6.891 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.325 -5.204 7.193 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.886 -6.804 6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.430 -5.575 9.307 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.555 -6.883 8.536 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.585 -7.129 10.562 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.779 -8.438 9.722 1.00 0.00 H new ATOM 405 N SER A 27 9.746 -4.568 7.549 1.00 0.00 N ATOM 406 CA SER A 27 10.556 -3.438 7.973 1.00 0.00 C ATOM 407 C SER A 27 9.877 -2.128 7.570 1.00 0.00 C ATOM 408 O SER A 27 8.769 -2.137 7.035 1.00 0.00 O ATOM 409 CB SER A 27 11.962 -3.513 7.375 1.00 0.00 C ATOM 410 OG SER A 27 12.693 -2.307 7.577 1.00 0.00 O ATOM 0 H SER A 27 9.317 -4.464 6.629 1.00 0.00 H new ATOM 0 HA SER A 27 10.650 -3.472 9.058 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.504 -4.345 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.891 -3.719 6.307 1.00 0.00 H new ATOM 0 HG SER A 27 13.586 -2.396 7.182 1.00 0.00 H new ATOM 416 N ILE A 28 10.569 -1.031 7.844 1.00 0.00 N ATOM 417 CA ILE A 28 10.047 0.284 7.516 1.00 0.00 C ATOM 418 C ILE A 28 11.068 1.035 6.660 1.00 0.00 C ATOM 419 O ILE A 28 11.455 2.156 6.988 1.00 0.00 O ATOM 420 CB ILE A 28 9.643 1.032 8.789 1.00 0.00 C ATOM 421 CG1 ILE A 28 10.863 1.319 9.666 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.556 0.271 9.550 1.00 0.00 C ATOM 423 CD1 ILE A 28 10.673 2.612 10.463 1.00 0.00 C ATOM 0 H ILE A 28 11.487 -1.027 8.289 1.00 0.00 H new ATOM 0 HA ILE A 28 9.137 0.195 6.922 1.00 0.00 H new ATOM 0 HB ILE A 28 9.220 1.994 8.501 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.028 0.487 10.350 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.753 1.400 9.042 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.287 0.824 10.450 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.677 0.161 8.915 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.929 -0.715 9.828 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.554 2.793 11.078 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.533 3.446 9.775 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.796 2.519 11.104 1.00 0.00 H new ATOM 435 N THR A 29 11.476 0.388 5.578 1.00 0.00 N ATOM 436 CA THR A 29 12.445 0.980 4.672 1.00 0.00 C ATOM 437 C THR A 29 12.059 0.696 3.219 1.00 0.00 C ATOM 438 O THR A 29 12.101 1.591 2.376 1.00 0.00 O ATOM 439 CB THR A 29 13.830 0.450 5.048 1.00 0.00 C ATOM 440 OG1 THR A 29 14.116 1.079 6.295 1.00 0.00 O ATOM 441 CG2 THR A 29 14.927 0.962 4.112 1.00 0.00 C ATOM 0 H THR A 29 11.153 -0.541 5.308 1.00 0.00 H new ATOM 0 HA THR A 29 12.461 2.066 4.765 1.00 0.00 H new ATOM 0 HB THR A 29 13.818 -0.640 5.031 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.997 0.790 6.613 1.00 0.00 H new ATOM 0 HG21 THR A 29 15.890 0.556 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.712 0.645 3.092 1.00 0.00 H new ATOM 0 HG23 THR A 29 14.962 2.051 4.154 1.00 0.00 H new ATOM 449 N ASP A 30 11.694 -0.553 2.971 1.00 0.00 N ATOM 450 CA ASP A 30 11.301 -0.966 1.634 1.00 0.00 C ATOM 451 C ASP A 30 10.115 -0.119 1.171 1.00 0.00 C ATOM 452 O ASP A 30 9.998 0.198 -0.012 1.00 0.00 O ATOM 453 CB ASP A 30 10.870 -2.434 1.616 1.00 0.00 C ATOM 454 CG ASP A 30 10.595 -3.010 0.226 1.00 0.00 C ATOM 455 OD1 ASP A 30 10.631 -2.213 -0.736 1.00 0.00 O ATOM 456 OD2 ASP A 30 10.356 -4.235 0.156 1.00 0.00 O ATOM 0 H ASP A 30 11.662 -1.293 3.673 1.00 0.00 H new ATOM 0 HA ASP A 30 12.159 -0.834 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.647 -3.031 2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.970 -2.540 2.221 1.00 0.00 H new ATOM 461 N GLY A 31 9.264 0.223 2.127 1.00 0.00 N ATOM 462 CA GLY A 31 8.090 1.027 1.832 1.00 0.00 C ATOM 463 C GLY A 31 8.485 2.459 1.466 1.00 0.00 C ATOM 464 O GLY A 31 8.223 3.392 2.224 1.00 0.00 O ATOM 0 H GLY A 31 9.364 -0.042 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.534 0.578 1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.426 1.039 2.696 1.00 0.00 H new ATOM 468 N LYS A 32 9.108 2.589 0.305 1.00 0.00 N ATOM 469 CA LYS A 32 9.542 3.892 -0.171 1.00 0.00 C ATOM 470 C LYS A 32 9.885 3.799 -1.659 1.00 0.00 C ATOM 471 O LYS A 32 9.265 4.465 -2.486 1.00 0.00 O ATOM 472 CB LYS A 32 10.687 4.424 0.693 1.00 0.00 C ATOM 473 CG LYS A 32 10.216 5.580 1.578 1.00 0.00 C ATOM 474 CD LYS A 32 9.853 6.803 0.735 1.00 0.00 C ATOM 475 CE LYS A 32 9.127 7.854 1.577 1.00 0.00 C ATOM 476 NZ LYS A 32 10.082 8.565 2.456 1.00 0.00 N ATOM 0 H LYS A 32 9.323 1.813 -0.321 1.00 0.00 H new ATOM 0 HA LYS A 32 8.737 4.620 -0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.080 3.621 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.504 4.760 0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.351 5.266 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.001 5.843 2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.757 7.236 0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.220 6.499 -0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.624 8.568 0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.356 7.376 2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.572 9.275 3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.543 7.883 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.803 9.038 1.875 1.00 0.00 H new ATOM 490 N ILE A 33 10.874 2.967 -1.954 1.00 0.00 N ATOM 491 CA ILE A 33 11.307 2.779 -3.328 1.00 0.00 C ATOM 492 C ILE A 33 10.207 2.061 -4.112 1.00 0.00 C ATOM 493 O ILE A 33 9.815 2.508 -5.188 1.00 0.00 O ATOM 494 CB ILE A 33 12.659 2.062 -3.369 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.756 2.923 -2.740 1.00 0.00 C ATOM 496 CG2 ILE A 33 13.011 1.638 -4.797 1.00 0.00 C ATOM 497 CD1 ILE A 33 14.871 2.052 -2.159 1.00 0.00 C ATOM 0 H ILE A 33 11.387 2.416 -1.265 1.00 0.00 H new ATOM 0 HA ILE A 33 11.467 3.742 -3.812 1.00 0.00 H new ATOM 0 HB ILE A 33 12.582 1.153 -2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.170 3.597 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.329 3.545 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.976 1.131 -4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.245 0.961 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.063 2.520 -5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.638 2.689 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.458 1.397 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.312 1.449 -2.952 1.00 0.00 H new ATOM 509 N PHE A 34 9.739 0.961 -3.541 1.00 0.00 N ATOM 510 CA PHE A 34 8.691 0.177 -4.173 1.00 0.00 C ATOM 511 C PHE A 34 7.471 1.046 -4.488 1.00 0.00 C ATOM 512 O PHE A 34 6.660 0.695 -5.343 1.00 0.00 O ATOM 513 CB PHE A 34 8.284 -0.911 -3.177 1.00 0.00 C ATOM 514 CG PHE A 34 6.936 -1.565 -3.487 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.746 -2.204 -4.672 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.927 -1.507 -2.576 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.495 -2.811 -4.959 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.676 -2.115 -2.863 1.00 0.00 C ATOM 519 CZ PHE A 34 4.486 -2.753 -4.049 1.00 0.00 C ATOM 0 H PHE A 34 10.066 0.594 -2.647 1.00 0.00 H new ATOM 0 HA PHE A 34 9.055 -0.245 -5.110 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.055 -1.681 -3.161 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.245 -0.478 -2.177 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.547 -2.250 -5.395 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.077 -0.999 -1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.345 -3.319 -5.900 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.875 -2.071 -2.139 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.534 -3.214 -4.268 1.00 0.00 H new ATOM 529 N PHE A 35 7.381 2.162 -3.780 1.00 0.00 N ATOM 530 CA PHE A 35 6.274 3.083 -3.973 1.00 0.00 C ATOM 531 C PHE A 35 6.739 4.358 -4.680 1.00 0.00 C ATOM 532 O PHE A 35 5.964 5.300 -4.843 1.00 0.00 O ATOM 533 CB PHE A 35 5.747 3.447 -2.584 1.00 0.00 C ATOM 534 CG PHE A 35 4.647 4.511 -2.595 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.383 4.179 -2.971 1.00 0.00 C ATOM 536 CD2 PHE A 35 4.934 5.789 -2.228 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.363 5.166 -2.981 1.00 0.00 C ATOM 538 CE2 PHE A 35 3.913 6.776 -2.238 1.00 0.00 C ATOM 539 CZ PHE A 35 2.649 6.444 -2.614 1.00 0.00 C ATOM 0 H PHE A 35 8.057 2.449 -3.072 1.00 0.00 H new ATOM 0 HA PHE A 35 5.506 2.617 -4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.363 2.547 -2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.577 3.803 -1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.155 3.164 -3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.938 6.053 -1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.359 4.902 -3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.140 7.791 -1.947 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.873 7.195 -2.621 1.00 0.00 H new ATOM 549 N ASN A 36 8.002 4.348 -5.080 1.00 0.00 N ATOM 550 CA ASN A 36 8.580 5.492 -5.765 1.00 0.00 C ATOM 551 C ASN A 36 9.531 4.999 -6.857 1.00 0.00 C ATOM 552 O ASN A 36 10.460 5.708 -7.241 1.00 0.00 O ATOM 553 CB ASN A 36 9.381 6.366 -4.798 1.00 0.00 C ATOM 554 CG ASN A 36 8.453 7.115 -3.840 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.242 7.120 -3.983 1.00 0.00 O ATOM 556 ND2 ASN A 36 9.088 7.747 -2.856 1.00 0.00 N ATOM 0 H ASN A 36 8.642 3.565 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 36 7.765 6.079 -6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.073 5.745 -4.229 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.982 7.080 -5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.558 8.276 -2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.105 7.702 -2.794 1.00 0.00 H new ATOM 563 N ARG A 37 9.267 3.789 -7.326 1.00 0.00 N ATOM 564 CA ARG A 37 10.089 3.194 -8.366 1.00 0.00 C ATOM 565 C ARG A 37 9.366 3.255 -9.714 1.00 0.00 C ATOM 566 O ARG A 37 8.505 2.425 -9.999 1.00 0.00 O ATOM 567 CB ARG A 37 10.421 1.736 -8.040 1.00 0.00 C ATOM 568 CG ARG A 37 11.532 1.210 -8.950 1.00 0.00 C ATOM 569 CD ARG A 37 12.715 0.692 -8.129 1.00 0.00 C ATOM 570 NE ARG A 37 13.919 0.592 -8.983 1.00 0.00 N ATOM 571 CZ ARG A 37 14.641 1.645 -9.390 1.00 0.00 C ATOM 572 NH1 ARG A 37 14.285 2.884 -9.024 1.00 0.00 N ATOM 573 NH2 ARG A 37 15.719 1.459 -10.164 1.00 0.00 N ATOM 0 H ARG A 37 8.495 3.204 -7.005 1.00 0.00 H new ATOM 0 HA ARG A 37 11.017 3.763 -8.420 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.730 1.654 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.529 1.121 -8.157 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.143 0.409 -9.579 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.868 2.004 -9.617 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.908 1.362 -7.291 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.476 -0.284 -7.708 1.00 0.00 H new ATOM 0 HE ARG A 37 14.218 -0.337 -9.281 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.464 3.026 -8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.835 3.685 -9.334 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.990 0.516 -10.443 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.269 2.260 -10.474 1.00 0.00 H new ATOM 587 N LYS A 38 9.744 4.247 -10.507 1.00 0.00 N ATOM 588 CA LYS A 38 9.143 4.428 -11.817 1.00 0.00 C ATOM 589 C LYS A 38 9.163 3.096 -12.571 1.00 0.00 C ATOM 590 O LYS A 38 10.144 2.771 -13.238 1.00 0.00 O ATOM 591 CB LYS A 38 9.830 5.570 -12.569 1.00 0.00 C ATOM 592 CG LYS A 38 9.368 5.623 -14.027 1.00 0.00 C ATOM 593 CD LYS A 38 8.550 6.887 -14.297 1.00 0.00 C ATOM 594 CE LYS A 38 9.418 8.140 -14.165 1.00 0.00 C ATOM 595 NZ LYS A 38 10.564 8.078 -15.099 1.00 0.00 N ATOM 0 H LYS A 38 10.459 4.934 -10.267 1.00 0.00 H new ATOM 0 HA LYS A 38 8.099 4.724 -11.719 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.608 6.518 -12.079 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.911 5.437 -12.531 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.234 5.598 -14.688 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.768 4.742 -14.254 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.122 6.841 -15.298 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.717 6.942 -13.596 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.820 9.027 -14.373 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.780 8.232 -13.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.714 9.014 -15.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.419 7.793 -14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.365 7.383 -15.847 1.00 0.00 H new ATOM 609 N PHE A 39 8.068 2.361 -12.439 1.00 0.00 N ATOM 610 CA PHE A 39 7.948 1.073 -13.099 1.00 0.00 C ATOM 611 C PHE A 39 7.010 1.159 -14.304 1.00 0.00 C ATOM 612 O PHE A 39 6.155 2.042 -14.368 1.00 0.00 O ATOM 613 CB PHE A 39 7.357 0.100 -12.076 1.00 0.00 C ATOM 614 CG PHE A 39 5.971 0.500 -11.565 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.876 0.308 -12.349 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.835 1.049 -10.328 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.590 0.679 -11.875 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.549 1.420 -9.854 1.00 0.00 C ATOM 619 CZ PHE A 39 3.454 1.227 -10.638 1.00 0.00 C ATOM 0 H PHE A 39 7.256 2.634 -11.885 1.00 0.00 H new ATOM 0 HA PHE A 39 8.925 0.746 -13.456 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.295 -0.891 -12.526 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.037 0.023 -11.228 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.985 -0.127 -13.332 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.705 1.203 -9.707 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.720 0.526 -12.497 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.440 1.855 -8.872 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.476 1.509 -10.278 1.00 0.00 H new ATOM 629 N LYS A 40 7.201 0.231 -15.230 1.00 0.00 N ATOM 630 CA LYS A 40 6.382 0.192 -16.430 1.00 0.00 C ATOM 631 C LYS A 40 5.360 -0.940 -16.308 1.00 0.00 C ATOM 632 O LYS A 40 5.684 -2.024 -15.823 1.00 0.00 O ATOM 633 CB LYS A 40 7.263 0.094 -17.677 1.00 0.00 C ATOM 634 CG LYS A 40 7.966 -1.263 -17.746 1.00 0.00 C ATOM 635 CD LYS A 40 7.486 -2.069 -18.955 1.00 0.00 C ATOM 636 CE LYS A 40 8.224 -3.405 -19.052 1.00 0.00 C ATOM 637 NZ LYS A 40 7.459 -4.361 -19.882 1.00 0.00 N ATOM 0 H LYS A 40 7.911 -0.500 -15.174 1.00 0.00 H new ATOM 0 HA LYS A 40 5.819 1.119 -16.538 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.654 0.238 -18.569 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.005 0.892 -17.666 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.044 -1.115 -17.808 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.773 -1.823 -16.831 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.414 -2.247 -18.875 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.647 -1.494 -19.867 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.213 -3.250 -19.483 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.372 -3.818 -18.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.974 -5.263 -19.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.525 -4.522 -19.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.339 -3.972 -20.839 1.00 0.00 H new ATOM 651 N THR A 41 4.148 -0.651 -16.757 1.00 0.00 N ATOM 652 CA THR A 41 3.077 -1.632 -16.704 1.00 0.00 C ATOM 653 C THR A 41 3.139 -2.555 -17.922 1.00 0.00 C ATOM 654 O THR A 41 3.648 -2.202 -18.983 1.00 0.00 O ATOM 655 CB THR A 41 1.751 -0.878 -16.579 1.00 0.00 C ATOM 656 OG1 THR A 41 1.581 -0.262 -17.853 1.00 0.00 O ATOM 657 CG2 THR A 41 1.836 0.299 -15.605 1.00 0.00 C ATOM 0 H THR A 41 3.883 0.248 -17.159 1.00 0.00 H new ATOM 0 HA THR A 41 3.180 -2.284 -15.836 1.00 0.00 H new ATOM 0 HB THR A 41 0.972 -1.566 -16.250 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.212 0.483 -17.943 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.869 0.799 -15.554 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.108 -0.067 -14.615 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.591 1.004 -15.952 1.00 0.00 H new ATOM 665 N PRO A 42 2.600 -3.763 -17.742 1.00 0.00 N ATOM 666 CA PRO A 42 2.548 -4.792 -18.758 1.00 0.00 C ATOM 667 C PRO A 42 1.720 -4.304 -19.938 1.00 0.00 C ATOM 668 O PRO A 42 1.688 -4.983 -20.963 1.00 0.00 O ATOM 669 CB PRO A 42 1.879 -5.983 -18.075 1.00 0.00 C ATOM 670 CG PRO A 42 1.015 -5.307 -16.925 1.00 0.00 C ATOM 671 CD PRO A 42 1.993 -4.212 -16.508 1.00 0.00 C ATOM 0 HA PRO A 42 3.532 -5.054 -19.147 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.255 -6.546 -18.769 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.613 -6.679 -17.670 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.067 -4.910 -17.288 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.782 -5.996 -16.113 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.479 -3.395 -16.001 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.743 -4.595 -15.816 1.00 0.00 H new ATOM 679 N SER A 43 1.075 -3.157 -19.776 1.00 0.00 N ATOM 680 CA SER A 43 0.255 -2.603 -20.840 1.00 0.00 C ATOM 681 C SER A 43 0.993 -1.451 -21.524 1.00 0.00 C ATOM 682 O SER A 43 0.373 -0.480 -21.954 1.00 0.00 O ATOM 683 CB SER A 43 -1.095 -2.124 -20.303 1.00 0.00 C ATOM 684 OG SER A 43 -1.107 -0.719 -20.066 1.00 0.00 O ATOM 0 H SER A 43 1.104 -2.597 -18.924 1.00 0.00 H new ATOM 0 HA SER A 43 0.066 -3.390 -21.570 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.880 -2.378 -21.016 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.324 -2.650 -19.376 1.00 0.00 H new ATOM 0 HG SER A 43 -0.902 -0.245 -20.899 1.00 0.00 H new ATOM 690 N GLY A 44 2.308 -1.597 -21.604 1.00 0.00 N ATOM 691 CA GLY A 44 3.138 -0.581 -22.228 1.00 0.00 C ATOM 692 C GLY A 44 2.768 0.815 -21.722 1.00 0.00 C ATOM 693 O GLY A 44 2.031 1.545 -22.383 1.00 0.00 O ATOM 0 H GLY A 44 2.819 -2.404 -21.247 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.188 -0.783 -22.015 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.019 -0.623 -23.311 1.00 0.00 H new ATOM 697 N LYS A 45 3.298 1.145 -20.553 1.00 0.00 N ATOM 698 CA LYS A 45 3.033 2.441 -19.950 1.00 0.00 C ATOM 699 C LYS A 45 3.834 2.568 -18.653 1.00 0.00 C ATOM 700 O LYS A 45 3.957 1.605 -17.898 1.00 0.00 O ATOM 701 CB LYS A 45 1.529 2.649 -19.767 1.00 0.00 C ATOM 702 CG LYS A 45 1.169 4.135 -19.827 1.00 0.00 C ATOM 703 CD LYS A 45 -0.316 4.328 -20.138 1.00 0.00 C ATOM 704 CE LYS A 45 -1.124 4.527 -18.854 1.00 0.00 C ATOM 705 NZ LYS A 45 -1.636 3.231 -18.358 1.00 0.00 N ATOM 0 H LYS A 45 3.909 0.538 -20.007 1.00 0.00 H new ATOM 0 HA LYS A 45 3.364 3.243 -20.609 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.987 2.108 -20.543 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.215 2.234 -18.810 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.409 4.610 -18.876 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.771 4.628 -20.590 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.445 5.191 -20.791 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.694 3.460 -20.679 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.499 4.993 -18.092 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.956 5.205 -19.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.182 3.384 -17.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.249 2.801 -19.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.837 2.595 -18.159 1.00 0.00 H new ATOM 719 N GLU A 46 4.359 3.765 -18.434 1.00 0.00 N ATOM 720 CA GLU A 46 5.145 4.030 -17.241 1.00 0.00 C ATOM 721 C GLU A 46 4.276 4.693 -16.170 1.00 0.00 C ATOM 722 O GLU A 46 3.655 5.725 -16.419 1.00 0.00 O ATOM 723 CB GLU A 46 6.364 4.894 -17.569 1.00 0.00 C ATOM 724 CG GLU A 46 7.540 4.554 -16.652 1.00 0.00 C ATOM 725 CD GLU A 46 8.862 5.037 -17.252 1.00 0.00 C ATOM 726 OE1 GLU A 46 8.881 6.194 -17.724 1.00 0.00 O ATOM 727 OE2 GLU A 46 9.823 4.239 -17.225 1.00 0.00 O ATOM 0 H GLU A 46 4.255 4.562 -19.062 1.00 0.00 H new ATOM 0 HA GLU A 46 5.508 3.080 -16.850 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.653 4.741 -18.609 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.107 5.948 -17.461 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.390 5.015 -15.676 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.581 3.477 -16.492 1.00 0.00 H new ATOM 734 N ALA A 47 4.260 4.072 -14.999 1.00 0.00 N ATOM 735 CA ALA A 47 3.478 4.588 -13.889 1.00 0.00 C ATOM 736 C ALA A 47 4.281 4.444 -12.595 1.00 0.00 C ATOM 737 O ALA A 47 5.439 4.032 -12.621 1.00 0.00 O ATOM 738 CB ALA A 47 2.135 3.856 -13.826 1.00 0.00 C ATOM 0 H ALA A 47 4.776 3.216 -14.795 1.00 0.00 H new ATOM 0 HA ALA A 47 3.265 5.648 -14.029 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.548 4.243 -12.993 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.591 4.013 -14.757 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.308 2.789 -13.683 1.00 0.00 H new ATOM 744 N ALA A 48 3.633 4.793 -11.493 1.00 0.00 N ATOM 745 CA ALA A 48 4.273 4.708 -10.191 1.00 0.00 C ATOM 746 C ALA A 48 3.215 4.866 -9.097 1.00 0.00 C ATOM 747 O ALA A 48 2.170 5.475 -9.321 1.00 0.00 O ATOM 748 CB ALA A 48 5.375 5.765 -10.093 1.00 0.00 C ATOM 0 H ALA A 48 2.672 5.135 -11.475 1.00 0.00 H new ATOM 0 HA ALA A 48 4.743 3.734 -10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.855 5.701 -9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.116 5.592 -10.873 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.940 6.757 -10.219 1.00 0.00 H new ATOM 754 N CYS A 49 3.523 4.308 -7.935 1.00 0.00 N ATOM 755 CA CYS A 49 2.612 4.379 -6.806 1.00 0.00 C ATOM 756 C CYS A 49 2.588 5.822 -6.298 1.00 0.00 C ATOM 757 O CYS A 49 1.782 6.167 -5.435 1.00 0.00 O ATOM 758 CB CYS A 49 3.000 3.392 -5.703 1.00 0.00 C ATOM 759 SG CYS A 49 3.335 1.688 -6.280 1.00 0.00 S ATOM 0 H CYS A 49 4.391 3.805 -7.752 1.00 0.00 H new ATOM 0 HA CYS A 49 1.610 4.090 -7.125 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.887 3.769 -5.193 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.198 3.360 -4.965 1.00 0.00 H new ATOM 764 N ALA A 50 3.483 6.626 -6.854 1.00 0.00 N ATOM 765 CA ALA A 50 3.575 8.024 -6.468 1.00 0.00 C ATOM 766 C ALA A 50 2.998 8.896 -7.585 1.00 0.00 C ATOM 767 O ALA A 50 3.044 10.122 -7.506 1.00 0.00 O ATOM 768 CB ALA A 50 5.030 8.371 -6.149 1.00 0.00 C ATOM 0 H ALA A 50 4.151 6.336 -7.569 1.00 0.00 H new ATOM 0 HA ALA A 50 2.991 8.213 -5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.099 9.420 -5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.382 7.744 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.647 8.197 -7.030 1.00 0.00 H new ATOM 774 N SER A 51 2.469 8.228 -8.600 1.00 0.00 N ATOM 775 CA SER A 51 1.885 8.927 -9.732 1.00 0.00 C ATOM 776 C SER A 51 0.431 9.295 -9.426 1.00 0.00 C ATOM 777 O SER A 51 -0.148 10.155 -10.088 1.00 0.00 O ATOM 778 CB SER A 51 1.961 8.078 -11.002 1.00 0.00 C ATOM 779 OG SER A 51 2.800 8.671 -11.990 1.00 0.00 O ATOM 0 H SER A 51 2.433 7.211 -8.662 1.00 0.00 H new ATOM 0 HA SER A 51 2.456 9.839 -9.902 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.339 7.086 -10.753 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.959 7.945 -11.410 1.00 0.00 H new ATOM 0 HG SER A 51 2.824 8.098 -12.785 1.00 0.00 H new ATOM 785 N CYS A 52 -0.117 8.624 -8.423 1.00 0.00 N ATOM 786 CA CYS A 52 -1.492 8.869 -8.022 1.00 0.00 C ATOM 787 C CYS A 52 -1.503 9.216 -6.532 1.00 0.00 C ATOM 788 O CYS A 52 -2.160 10.165 -6.110 1.00 0.00 O ATOM 789 CB CYS A 52 -2.395 7.675 -8.336 1.00 0.00 C ATOM 790 SG CYS A 52 -2.678 7.562 -10.141 1.00 0.00 S ATOM 0 H CYS A 52 0.366 7.911 -7.876 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.896 9.705 -8.592 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.935 6.756 -7.973 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.347 7.782 -7.816 1.00 0.00 H new ATOM 795 N HIS A 53 -0.758 8.421 -5.762 1.00 0.00 N ATOM 796 CA HIS A 53 -0.645 8.596 -4.319 1.00 0.00 C ATOM 797 C HIS A 53 0.582 9.469 -3.995 1.00 0.00 C ATOM 798 O HIS A 53 1.061 9.465 -2.863 1.00 0.00 O ATOM 799 CB HIS A 53 -0.631 7.214 -3.650 1.00 0.00 C ATOM 800 CG HIS A 53 -1.731 6.256 -4.046 1.00 0.00 C ATOM 801 ND1 HIS A 53 -3.027 6.556 -3.918 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.683 4.988 -4.574 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.758 5.516 -4.350 1.00 0.00 C ATOM 804 NE2 HIS A 53 -2.977 4.520 -4.766 1.00 0.00 N ATOM 0 H HIS A 53 -0.216 7.637 -6.125 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.504 9.131 -3.914 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.327 6.741 -3.867 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.678 7.358 -2.571 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.400 7.432 -3.552 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.781 4.441 -4.804 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.838 5.490 -4.359 1.00 0.00 H new ATOM 812 N THR A 54 1.047 10.189 -5.005 1.00 0.00 N ATOM 813 CA THR A 54 2.200 11.057 -4.836 1.00 0.00 C ATOM 814 C THR A 54 3.343 10.300 -4.158 1.00 0.00 C ATOM 815 O THR A 54 3.160 9.173 -3.698 1.00 0.00 O ATOM 816 CB THR A 54 1.749 12.297 -4.062 1.00 0.00 C ATOM 817 OG1 THR A 54 1.168 11.771 -2.872 1.00 0.00 O ATOM 818 CG2 THR A 54 0.594 13.028 -4.749 1.00 0.00 C ATOM 0 H THR A 54 0.646 10.189 -5.943 1.00 0.00 H new ATOM 0 HA THR A 54 2.594 11.383 -5.799 1.00 0.00 H new ATOM 0 HB THR A 54 2.592 12.979 -3.946 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.727 11.043 -2.529 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.313 13.900 -4.159 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.906 13.348 -5.743 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.261 12.357 -4.836 1.00 0.00 H new ATOM 826 N ASN A 55 4.498 10.948 -4.116 1.00 0.00 N ATOM 827 CA ASN A 55 5.671 10.350 -3.502 1.00 0.00 C ATOM 828 C ASN A 55 5.316 9.875 -2.091 1.00 0.00 C ATOM 829 O ASN A 55 5.956 8.971 -1.557 1.00 0.00 O ATOM 830 CB ASN A 55 6.811 11.364 -3.387 1.00 0.00 C ATOM 831 CG ASN A 55 6.356 12.616 -2.634 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.339 12.667 -1.415 1.00 0.00 O ATOM 833 ND2 ASN A 55 5.990 13.620 -3.426 1.00 0.00 N ATOM 0 H ASN A 55 4.646 11.882 -4.498 1.00 0.00 H new ATOM 0 HA ASN A 55 5.992 9.517 -4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.656 10.910 -2.869 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.159 11.640 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.671 14.500 -3.020 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.029 13.510 -4.439 1.00 0.00 H new ATOM 840 N ASN A 56 4.297 10.507 -1.528 1.00 0.00 N ATOM 841 CA ASN A 56 3.850 10.161 -0.189 1.00 0.00 C ATOM 842 C ASN A 56 2.334 9.951 -0.201 1.00 0.00 C ATOM 843 O ASN A 56 1.562 10.795 -0.648 1.00 0.00 O ATOM 844 CB ASN A 56 4.163 11.282 0.803 1.00 0.00 C ATOM 845 CG ASN A 56 4.548 10.713 2.170 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.268 9.734 2.284 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.029 11.377 3.199 1.00 0.00 N ATOM 0 H ASN A 56 3.768 11.256 -1.974 1.00 0.00 H new ATOM 0 HA ASN A 56 4.371 9.253 0.116 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.977 11.896 0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.295 11.933 0.907 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.226 11.074 4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.434 12.189 3.034 1.00 0.00 H new ATOM 854 N PRO A 57 1.922 8.787 0.307 1.00 0.00 N ATOM 855 CA PRO A 57 0.536 8.381 0.397 1.00 0.00 C ATOM 856 C PRO A 57 -0.171 9.210 1.459 1.00 0.00 C ATOM 857 O PRO A 57 -1.290 9.658 1.215 1.00 0.00 O ATOM 858 CB PRO A 57 0.585 6.907 0.795 1.00 0.00 C ATOM 859 CG PRO A 57 1.884 6.796 1.572 1.00 0.00 C ATOM 860 CD PRO A 57 2.804 7.771 0.841 1.00 0.00 C ATOM 0 HA PRO A 57 -0.010 8.526 -0.535 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.274 6.627 1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.582 6.255 -0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.753 7.071 2.619 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.278 5.780 1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.540 8.203 1.519 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.358 7.271 0.046 1.00 0.00 H new ATOM 868 N ALA A 58 0.479 9.395 2.599 1.00 0.00 N ATOM 869 CA ALA A 58 -0.108 10.170 3.678 1.00 0.00 C ATOM 870 C ALA A 58 -0.516 11.546 3.149 1.00 0.00 C ATOM 871 O ALA A 58 -1.321 12.240 3.769 1.00 0.00 O ATOM 872 CB ALA A 58 0.885 10.262 4.839 1.00 0.00 C ATOM 0 H ALA A 58 1.407 9.021 2.798 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.007 9.683 4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.445 10.844 5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.119 9.260 5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.799 10.748 4.498 1.00 0.00 H new ATOM 878 N ASN A 59 0.059 11.901 2.009 1.00 0.00 N ATOM 879 CA ASN A 59 -0.234 13.182 1.390 1.00 0.00 C ATOM 880 C ASN A 59 -1.467 13.040 0.494 1.00 0.00 C ATOM 881 O ASN A 59 -2.003 11.944 0.340 1.00 0.00 O ATOM 882 CB ASN A 59 0.932 13.653 0.519 1.00 0.00 C ATOM 883 CG ASN A 59 0.966 15.179 0.426 1.00 0.00 C ATOM 884 OD1 ASN A 59 -0.037 15.859 0.576 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.171 15.679 0.169 1.00 0.00 N ATOM 0 H ASN A 59 0.727 11.323 1.498 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.407 13.909 2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.871 13.290 0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.840 13.226 -0.480 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.298 16.688 0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.969 15.054 0.055 1.00 0.00 H new ATOM 892 N VAL A 60 -1.880 14.165 -0.072 1.00 0.00 N ATOM 893 CA VAL A 60 -3.039 14.179 -0.948 1.00 0.00 C ATOM 894 C VAL A 60 -2.637 13.651 -2.327 1.00 0.00 C ATOM 895 O VAL A 60 -1.744 14.201 -2.970 1.00 0.00 O ATOM 896 CB VAL A 60 -3.639 15.586 -0.998 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.738 15.676 -2.059 1.00 0.00 C ATOM 898 CG2 VAL A 60 -4.167 16.005 0.375 1.00 0.00 C ATOM 0 H VAL A 60 -1.433 15.072 0.059 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.818 13.521 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.846 16.279 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.148 16.686 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.319 15.440 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.531 14.966 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.588 17.008 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.940 15.307 0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.350 15.999 1.096 1.00 0.00 H new ATOM 908 N GLY A 61 -3.316 12.591 -2.740 1.00 0.00 N ATOM 909 CA GLY A 61 -3.041 11.983 -4.031 1.00 0.00 C ATOM 910 C GLY A 61 -3.834 12.674 -5.142 1.00 0.00 C ATOM 911 O GLY A 61 -4.442 13.719 -4.918 1.00 0.00 O ATOM 0 H GLY A 61 -4.056 12.138 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.975 12.046 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.298 10.924 -4.000 1.00 0.00 H new ATOM 915 N LYS A 62 -3.802 12.061 -6.317 1.00 0.00 N ATOM 916 CA LYS A 62 -4.510 12.604 -7.464 1.00 0.00 C ATOM 917 C LYS A 62 -4.605 11.533 -8.552 1.00 0.00 C ATOM 918 O LYS A 62 -3.590 10.991 -8.986 1.00 0.00 O ATOM 919 CB LYS A 62 -3.852 13.902 -7.934 1.00 0.00 C ATOM 920 CG LYS A 62 -4.397 14.330 -9.298 1.00 0.00 C ATOM 921 CD LYS A 62 -3.307 14.997 -10.140 1.00 0.00 C ATOM 922 CE LYS A 62 -2.907 16.349 -9.547 1.00 0.00 C ATOM 923 NZ LYS A 62 -3.144 17.434 -10.524 1.00 0.00 N ATOM 0 H LYS A 62 -3.297 11.194 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.530 12.872 -7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.031 14.690 -7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.772 13.765 -7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.788 13.461 -9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.229 15.021 -9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.434 14.346 -10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.664 15.135 -11.161 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.479 16.538 -8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.855 16.331 -9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.867 18.345 -10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.579 17.260 -11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.153 17.461 -10.775 1.00 0.00 H new ATOM 937 N ASN A 63 -5.835 11.259 -8.962 1.00 0.00 N ATOM 938 CA ASN A 63 -6.076 10.263 -9.992 1.00 0.00 C ATOM 939 C ASN A 63 -5.791 10.875 -11.365 1.00 0.00 C ATOM 940 O ASN A 63 -6.305 11.944 -11.691 1.00 0.00 O ATOM 941 CB ASN A 63 -7.533 9.796 -9.976 1.00 0.00 C ATOM 942 CG ASN A 63 -7.797 8.863 -8.793 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.890 8.396 -8.123 1.00 0.00 O ATOM 944 ND2 ASN A 63 -9.086 8.618 -8.574 1.00 0.00 N ATOM 0 H ASN A 63 -6.675 11.710 -8.599 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.422 9.413 -9.798 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.195 10.660 -9.917 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.764 9.281 -10.908 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.366 8.007 -7.807 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.795 9.042 -9.173 1.00 0.00 H new ATOM 951 N ILE A 64 -4.973 10.171 -12.133 1.00 0.00 N ATOM 952 CA ILE A 64 -4.614 10.632 -13.464 1.00 0.00 C ATOM 953 C ILE A 64 -5.704 10.219 -14.454 1.00 0.00 C ATOM 954 O ILE A 64 -5.556 10.407 -15.660 1.00 0.00 O ATOM 955 CB ILE A 64 -3.217 10.134 -13.844 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.275 8.708 -14.395 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.252 10.254 -12.663 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.905 8.264 -14.912 1.00 0.00 C ATOM 0 H ILE A 64 -4.548 9.285 -11.859 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.558 11.720 -13.488 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.832 10.771 -14.640 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.612 8.026 -13.614 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.007 8.655 -15.201 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.267 9.894 -12.960 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.179 11.298 -12.357 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.621 9.656 -11.829 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.974 7.247 -15.298 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.582 8.934 -15.709 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.181 8.295 -14.097 1.00 0.00 H new ATOM 970 N VAL A 65 -6.776 9.663 -13.907 1.00 0.00 N ATOM 971 CA VAL A 65 -7.891 9.222 -14.727 1.00 0.00 C ATOM 972 C VAL A 65 -8.863 10.387 -14.928 1.00 0.00 C ATOM 973 O VAL A 65 -9.192 10.737 -16.060 1.00 0.00 O ATOM 974 CB VAL A 65 -8.551 7.994 -14.096 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.862 7.651 -14.807 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.598 6.798 -14.097 1.00 0.00 C ATOM 0 H VAL A 65 -6.895 9.508 -12.906 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.542 8.916 -15.713 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.785 8.235 -13.059 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.311 6.775 -14.339 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.548 8.494 -14.731 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.662 7.439 -15.857 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.092 5.939 -13.643 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.319 6.556 -15.122 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.703 7.045 -13.526 1.00 0.00 H new ATOM 986 N THR A 66 -9.295 10.954 -13.812 1.00 0.00 N ATOM 987 CA THR A 66 -10.222 12.072 -13.851 1.00 0.00 C ATOM 988 C THR A 66 -9.508 13.371 -13.472 1.00 0.00 C ATOM 989 O THR A 66 -9.817 14.433 -14.010 1.00 0.00 O ATOM 990 CB THR A 66 -11.403 11.739 -12.937 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.817 11.614 -11.644 1.00 0.00 O ATOM 992 CG2 THR A 66 -11.987 10.353 -13.217 1.00 0.00 C ATOM 0 H THR A 66 -9.020 10.660 -12.875 1.00 0.00 H new ATOM 0 HA THR A 66 -10.607 12.232 -14.858 1.00 0.00 H new ATOM 0 HB THR A 66 -12.181 12.492 -13.060 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.513 11.400 -10.989 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.822 10.167 -12.541 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.337 10.307 -14.248 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.218 9.596 -13.061 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.567 13.244 -12.548 1.00 0.00 N ATOM 1001 CA GLY A 67 -7.806 14.394 -12.091 1.00 0.00 C ATOM 1002 C GLY A 67 -8.599 15.201 -11.061 1.00 0.00 C ATOM 1003 O GLY A 67 -8.492 16.426 -11.010 1.00 0.00 O ATOM 0 H GLY A 67 -8.314 12.362 -12.103 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.866 14.061 -11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.554 15.029 -12.940 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.377 14.483 -10.265 1.00 0.00 N ATOM 1008 CA LYS A 68 -10.188 15.117 -9.239 1.00 0.00 C ATOM 1009 C LYS A 68 -9.311 15.432 -8.025 1.00 0.00 C ATOM 1010 O LYS A 68 -8.654 16.471 -7.982 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.407 14.253 -8.910 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.524 14.469 -9.933 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.507 15.538 -9.455 1.00 0.00 C ATOM 1014 CE LYS A 68 -14.754 15.572 -10.340 1.00 0.00 C ATOM 1015 NZ LYS A 68 -15.108 16.968 -10.684 1.00 0.00 N ATOM 0 H LYS A 68 -9.463 13.468 -10.310 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.587 16.065 -9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.119 13.202 -8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.771 14.496 -7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.094 14.767 -10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.054 13.532 -10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.795 15.337 -8.423 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.022 16.514 -9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.576 15.001 -11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.587 15.096 -9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.957 16.973 -11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.298 17.503 -9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.318 17.410 -11.196 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.330 14.515 -7.068 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.545 14.682 -5.857 1.00 0.00 C ATOM 1031 C GLU A 69 -8.716 13.468 -4.942 1.00 0.00 C ATOM 1032 O GLU A 69 -9.832 13.135 -4.548 1.00 0.00 O ATOM 1033 CB GLU A 69 -8.927 15.974 -5.130 1.00 0.00 C ATOM 1034 CG GLU A 69 -10.271 15.824 -4.415 1.00 0.00 C ATOM 1035 CD GLU A 69 -10.732 17.160 -3.829 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -10.408 18.194 -4.452 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -11.399 17.117 -2.773 1.00 0.00 O ATOM 0 H GLU A 69 -9.876 13.655 -7.107 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.494 14.757 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.153 16.231 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.981 16.795 -5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.020 15.452 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.183 15.085 -3.619 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.592 12.839 -4.631 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.603 11.668 -3.770 1.00 0.00 C ATOM 1046 C ILE A 70 -6.943 12.017 -2.435 1.00 0.00 C ATOM 1047 O ILE A 70 -5.723 12.089 -2.308 1.00 0.00 O ATOM 1048 CB ILE A 70 -6.960 10.475 -4.481 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.532 10.303 -5.889 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -7.099 9.200 -3.646 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.743 9.367 -5.879 1.00 0.00 C ATOM 0 H ILE A 70 -6.668 13.118 -4.960 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.627 11.365 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.894 10.675 -4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.822 11.275 -6.289 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.764 9.903 -6.551 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.634 8.367 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.607 9.340 -2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.155 8.984 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.130 9.262 -6.893 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.444 8.389 -5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.519 9.782 -5.235 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.791 12.234 -1.426 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.387 12.575 -0.079 1.00 0.00 C ATOM 1065 C PRO A 71 -6.336 11.586 0.404 1.00 0.00 C ATOM 1066 O PRO A 71 -6.090 10.572 -0.245 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.664 12.466 0.752 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.762 12.772 -0.247 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.232 12.157 -1.540 1.00 0.00 C ATOM 0 HA PRO A 71 -6.946 13.569 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.779 11.471 1.183 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.666 13.175 1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.713 12.329 0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.928 13.845 -0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.565 11.125 -1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.589 12.704 -2.413 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.714 11.885 1.546 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.689 11.064 2.156 1.00 0.00 C ATOM 1079 C PRO A 72 -5.045 9.594 1.988 1.00 0.00 C ATOM 1080 O PRO A 72 -6.178 9.219 2.287 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.694 11.464 3.630 1.00 0.00 C ATOM 1082 CG PRO A 72 -5.191 12.865 3.627 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.978 13.069 2.335 1.00 0.00 C ATOM 0 HA PRO A 72 -3.707 11.206 1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.342 10.813 4.217 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.697 11.396 4.064 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.824 13.049 4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.359 13.567 3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.044 13.181 2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.655 13.971 1.814 1.00 0.00 H new ATOM 1091 N LEU A 73 -4.092 8.802 1.519 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.329 7.383 1.320 1.00 0.00 C ATOM 1093 C LEU A 73 -4.034 6.633 2.620 1.00 0.00 C ATOM 1094 O LEU A 73 -4.664 5.618 2.913 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.532 6.870 0.119 1.00 0.00 C ATOM 1096 CG LEU A 73 -3.368 5.352 0.022 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.522 4.725 -0.763 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -2.006 4.984 -0.570 1.00 0.00 C ATOM 0 H LEU A 73 -3.154 9.117 1.271 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.376 7.202 1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.018 7.222 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.540 7.322 0.146 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.403 4.940 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.381 3.646 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.465 4.943 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.544 5.139 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.915 3.899 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.917 5.409 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.214 5.381 0.065 1.00 0.00 H new ATOM 1110 N ALA A 74 -3.075 7.162 3.366 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.688 6.555 4.628 1.00 0.00 C ATOM 1112 C ALA A 74 -3.932 6.001 5.325 1.00 0.00 C ATOM 1113 O ALA A 74 -4.671 6.710 6.003 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.951 7.586 5.486 1.00 0.00 C ATOM 0 H ALA A 74 -2.555 8.004 3.120 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.005 5.722 4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.661 7.131 6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.060 7.927 4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.607 8.435 5.678 1.00 0.00 H new ATOM 1120 N PRO A 75 -4.148 4.696 5.140 1.00 0.00 N ATOM 1121 CA PRO A 75 -5.261 3.965 5.706 1.00 0.00 C ATOM 1122 C PRO A 75 -5.160 3.976 7.224 1.00 0.00 C ATOM 1123 O PRO A 75 -6.140 3.641 7.887 1.00 0.00 O ATOM 1124 CB PRO A 75 -5.117 2.547 5.158 1.00 0.00 C ATOM 1125 CG PRO A 75 -4.185 2.647 3.972 1.00 0.00 C ATOM 1126 CD PRO A 75 -3.299 3.832 4.349 1.00 0.00 C ATOM 0 HA PRO A 75 -6.228 4.398 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.713 1.876 5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.085 2.145 4.860 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.605 1.734 3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.727 2.825 3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.427 3.508 4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.929 4.346 3.462 1.00 0.00 H new ATOM 1134 N ARG A 76 -3.999 4.353 7.739 1.00 0.00 N ATOM 1135 CA ARG A 76 -3.797 4.397 9.177 1.00 0.00 C ATOM 1136 C ARG A 76 -4.091 5.800 9.712 1.00 0.00 C ATOM 1137 O ARG A 76 -4.751 5.952 10.739 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.364 4.008 9.545 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.211 3.844 11.058 1.00 0.00 C ATOM 1140 CD ARG A 76 -1.319 4.943 11.641 1.00 0.00 C ATOM 1141 NE ARG A 76 -2.106 6.180 11.841 1.00 0.00 N ATOM 1142 CZ ARG A 76 -2.817 6.448 12.945 1.00 0.00 C ATOM 1143 NH1 ARG A 76 -2.845 5.567 13.954 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -3.501 7.597 13.039 1.00 0.00 N ATOM 0 H ARG A 76 -3.188 4.631 7.186 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.483 3.681 9.630 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.097 3.076 9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.673 4.771 9.187 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.192 3.877 11.532 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.782 2.867 11.280 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.896 4.614 12.590 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.483 5.139 10.970 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.107 6.872 11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.325 4.692 13.882 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.386 5.771 14.794 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.480 8.267 12.270 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.042 7.801 13.879 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.586 6.791 8.992 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.785 8.177 9.381 1.00 0.00 C ATOM 1160 C VAL A 77 -5.274 8.421 9.633 1.00 0.00 C ATOM 1161 O VAL A 77 -5.643 9.084 10.602 1.00 0.00 O ATOM 1162 CB VAL A 77 -3.198 9.108 8.319 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -3.752 10.526 8.466 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.669 9.108 8.375 1.00 0.00 C ATOM 0 H VAL A 77 -3.039 6.662 8.141 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.258 8.393 10.310 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.498 8.731 7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.318 11.167 7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.836 10.507 8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.497 10.916 9.451 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.277 9.778 7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.341 9.448 9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.298 8.098 8.198 1.00 0.00 H new ATOM 1174 N ASN A 78 -6.090 7.873 8.745 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.531 8.024 8.859 1.00 0.00 C ATOM 1176 C ASN A 78 -8.134 6.727 9.403 1.00 0.00 C ATOM 1177 O ASN A 78 -7.791 5.639 8.942 1.00 0.00 O ATOM 1178 CB ASN A 78 -8.165 8.305 7.496 1.00 0.00 C ATOM 1179 CG ASN A 78 -7.259 9.194 6.642 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -6.223 9.669 7.078 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.705 9.392 5.405 1.00 0.00 N ATOM 0 H ASN A 78 -5.781 7.324 7.943 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.730 8.861 9.528 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.351 7.365 6.977 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.131 8.790 7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.171 9.971 4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.581 8.964 5.104 1.00 0.00 H new ATOM 1188 N THR A 79 -9.020 6.885 10.374 1.00 0.00 N ATOM 1189 CA THR A 79 -9.673 5.740 10.985 1.00 0.00 C ATOM 1190 C THR A 79 -10.866 5.292 10.138 1.00 0.00 C ATOM 1191 O THR A 79 -11.533 4.312 10.468 1.00 0.00 O ATOM 1192 CB THR A 79 -10.054 6.122 12.417 1.00 0.00 C ATOM 1193 OG1 THR A 79 -10.866 5.038 12.861 1.00 0.00 O ATOM 1194 CG2 THR A 79 -10.987 7.333 12.472 1.00 0.00 C ATOM 0 H THR A 79 -9.301 7.789 10.753 1.00 0.00 H new ATOM 0 HA THR A 79 -9.005 4.880 11.029 1.00 0.00 H new ATOM 0 HB THR A 79 -9.150 6.334 12.988 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.978 4.393 12.132 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.226 7.561 13.511 1.00 0.00 H new ATOM 0 HG22 THR A 79 -10.495 8.192 12.015 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.905 7.110 11.929 1.00 0.00 H new ATOM 1202 N LYS A 80 -11.099 6.031 9.063 1.00 0.00 N ATOM 1203 CA LYS A 80 -12.199 5.722 8.167 1.00 0.00 C ATOM 1204 C LYS A 80 -11.654 5.030 6.916 1.00 0.00 C ATOM 1205 O LYS A 80 -12.224 5.156 5.833 1.00 0.00 O ATOM 1206 CB LYS A 80 -13.015 6.981 7.866 1.00 0.00 C ATOM 1207 CG LYS A 80 -12.184 7.999 7.083 1.00 0.00 C ATOM 1208 CD LYS A 80 -13.081 8.905 6.237 1.00 0.00 C ATOM 1209 CE LYS A 80 -12.936 10.368 6.658 1.00 0.00 C ATOM 1210 NZ LYS A 80 -13.918 11.213 5.942 1.00 0.00 N ATOM 0 H LYS A 80 -10.544 6.843 8.793 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.891 5.026 8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.904 6.715 7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.359 7.428 8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.598 8.605 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.477 7.477 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.821 8.799 5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.120 8.594 6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.085 10.459 7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.925 10.715 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.806 12.203 6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.758 11.139 4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.881 10.891 6.166 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.556 4.313 7.107 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.927 3.601 6.008 1.00 0.00 C ATOM 1226 C ARG A 81 -9.767 2.120 6.357 1.00 0.00 C ATOM 1227 O ARG A 81 -10.672 1.321 6.119 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.553 4.191 5.683 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.688 5.466 4.847 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.794 5.135 3.356 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.170 6.211 2.554 1.00 0.00 N ATOM 1232 CZ ARG A 81 -8.490 6.481 1.281 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -9.429 5.756 0.659 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -7.872 7.476 0.631 1.00 0.00 N ATOM 0 H ARG A 81 -10.086 4.210 8.006 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.571 3.705 5.135 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.020 4.413 6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.957 3.457 5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.571 6.021 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.827 6.111 5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.302 4.184 3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.841 5.020 3.074 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.451 6.783 2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.900 4.999 1.154 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.673 5.961 -0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.158 8.028 1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.116 7.681 -0.338 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.611 1.797 6.916 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.321 0.426 7.301 1.00 0.00 C ATOM 1250 C PHE A 82 -9.232 -0.026 8.444 1.00 0.00 C ATOM 1251 O PHE A 82 -8.769 -0.243 9.562 1.00 0.00 O ATOM 1252 CB PHE A 82 -6.868 0.393 7.778 1.00 0.00 C ATOM 1253 CG PHE A 82 -5.871 -0.049 6.706 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.239 -0.058 5.397 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.615 -0.434 7.062 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.313 -0.468 4.402 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.690 -0.844 6.067 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.058 -0.853 4.757 1.00 0.00 C ATOM 0 H PHE A 82 -7.863 2.462 7.112 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.486 -0.241 6.455 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.590 1.386 8.131 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.792 -0.282 8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.236 0.247 5.114 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.322 -0.427 8.102 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.606 -0.474 3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.693 -1.149 6.350 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.354 -1.166 4.000 1.00 0.00 H new ATOM 1268 N THR A 83 -10.511 -0.155 8.123 1.00 0.00 N ATOM 1269 CA THR A 83 -11.491 -0.578 9.109 1.00 0.00 C ATOM 1270 C THR A 83 -12.369 -1.696 8.543 1.00 0.00 C ATOM 1271 O THR A 83 -13.581 -1.704 8.752 1.00 0.00 O ATOM 1272 CB THR A 83 -12.284 0.655 9.546 1.00 0.00 C ATOM 1273 OG1 THR A 83 -11.344 1.427 10.288 1.00 0.00 O ATOM 1274 CG2 THR A 83 -13.375 0.318 10.564 1.00 0.00 C ATOM 0 H THR A 83 -10.891 0.026 7.194 1.00 0.00 H new ATOM 0 HA THR A 83 -11.008 -1.001 9.990 1.00 0.00 H new ATOM 0 HB THR A 83 -12.735 1.125 8.672 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.569 2.378 10.212 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.908 1.228 10.841 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.075 -0.393 10.125 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.921 -0.121 11.452 1.00 0.00 H new ATOM 1282 N ASP A 84 -11.723 -2.612 7.837 1.00 0.00 N ATOM 1283 CA ASP A 84 -12.430 -3.732 7.239 1.00 0.00 C ATOM 1284 C ASP A 84 -11.420 -4.677 6.584 1.00 0.00 C ATOM 1285 O ASP A 84 -11.437 -4.864 5.369 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.402 -3.256 6.158 1.00 0.00 C ATOM 1287 CG ASP A 84 -14.268 -4.354 5.538 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -13.855 -5.530 5.641 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -15.324 -3.994 4.975 1.00 0.00 O ATOM 0 H ASP A 84 -10.718 -2.602 7.666 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.987 -4.238 8.027 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.056 -2.497 6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.831 -2.773 5.365 1.00 0.00 H new ATOM 1294 N ILE A 85 -10.563 -5.246 7.419 1.00 0.00 N ATOM 1295 CA ILE A 85 -9.547 -6.167 6.937 1.00 0.00 C ATOM 1296 C ILE A 85 -10.158 -7.081 5.873 1.00 0.00 C ATOM 1297 O ILE A 85 -9.596 -7.240 4.790 1.00 0.00 O ATOM 1298 CB ILE A 85 -8.911 -6.922 8.105 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -8.167 -5.964 9.038 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -8.007 -8.049 7.602 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -7.765 -6.665 10.337 1.00 0.00 C ATOM 0 H ILE A 85 -10.551 -5.087 8.426 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.733 -5.621 6.460 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.708 -7.384 8.687 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.278 -5.581 8.537 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.800 -5.106 9.264 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.567 -8.570 8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.595 -8.751 7.011 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.213 -7.630 6.983 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.238 -5.962 10.982 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.658 -7.026 10.847 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.112 -7.507 10.109 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.300 -7.657 6.218 1.00 0.00 N ATOM 1314 CA ASP A 86 -11.992 -8.551 5.306 1.00 0.00 C ATOM 1315 C ASP A 86 -11.897 -7.996 3.883 1.00 0.00 C ATOM 1316 O ASP A 86 -11.407 -8.672 2.980 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.474 -8.669 5.669 1.00 0.00 C ATOM 1318 CG ASP A 86 -13.916 -10.057 6.136 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -13.054 -10.771 6.692 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -15.108 -10.373 5.928 1.00 0.00 O ATOM 0 H ASP A 86 -11.763 -7.522 7.117 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.524 -9.533 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.698 -7.949 6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.069 -8.388 4.800 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.374 -6.769 3.728 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.349 -6.115 2.431 1.00 0.00 C ATOM 1327 C LYS A 87 -11.190 -5.117 2.391 1.00 0.00 C ATOM 1328 O LYS A 87 -11.337 -3.971 2.813 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.710 -5.490 2.120 1.00 0.00 C ATOM 1330 CG LYS A 87 -14.552 -6.418 1.242 1.00 0.00 C ATOM 1331 CD LYS A 87 -15.963 -6.579 1.810 1.00 0.00 C ATOM 1332 CE LYS A 87 -16.795 -7.533 0.950 1.00 0.00 C ATOM 1333 NZ LYS A 87 -18.205 -7.089 0.900 1.00 0.00 N ATOM 0 H LYS A 87 -12.780 -6.211 4.479 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.171 -6.843 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.240 -5.283 3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.568 -4.535 1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.607 -6.016 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.071 -7.394 1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.907 -6.959 2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.453 -5.606 1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.385 -7.574 -0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.740 -8.542 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.756 -7.747 0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.598 -7.072 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.254 -6.135 0.490 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.062 -5.588 1.878 1.00 0.00 N ATOM 1348 CA VAL A 88 -8.879 -4.751 1.777 1.00 0.00 C ATOM 1349 C VAL A 88 -7.702 -5.597 1.287 1.00 0.00 C ATOM 1350 O VAL A 88 -6.843 -5.107 0.556 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.606 -4.067 3.118 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.292 -4.560 3.728 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.602 -2.545 2.965 1.00 0.00 C ATOM 0 H VAL A 88 -9.943 -6.539 1.528 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.034 -3.956 1.048 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.413 -4.334 3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.122 -4.058 4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.347 -5.636 3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.469 -4.337 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.406 -2.083 3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.825 -2.252 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.572 -2.214 2.595 1.00 0.00 H new ATOM 1363 N GLU A 89 -7.701 -6.853 1.709 1.00 0.00 N ATOM 1364 CA GLU A 89 -6.643 -7.771 1.322 1.00 0.00 C ATOM 1365 C GLU A 89 -6.819 -8.200 -0.136 1.00 0.00 C ATOM 1366 O GLU A 89 -5.846 -8.533 -0.811 1.00 0.00 O ATOM 1367 CB GLU A 89 -6.606 -8.987 2.250 1.00 0.00 C ATOM 1368 CG GLU A 89 -7.912 -9.780 2.167 1.00 0.00 C ATOM 1369 CD GLU A 89 -7.636 -11.281 2.053 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -6.806 -11.767 2.852 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -8.261 -11.908 1.171 1.00 0.00 O ATOM 0 H GLU A 89 -8.416 -7.256 2.315 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.688 -7.254 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.768 -9.630 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.439 -8.661 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.517 -9.584 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.490 -9.446 1.305 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.068 -8.177 -0.579 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.384 -8.559 -1.945 1.00 0.00 C ATOM 1380 C ASP A 90 -8.167 -7.359 -2.869 1.00 0.00 C ATOM 1381 O ASP A 90 -7.492 -7.472 -3.891 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.845 -8.995 -2.071 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.855 -8.077 -1.379 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.730 -7.923 -0.145 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.730 -7.550 -2.100 1.00 0.00 O ATOM 0 H ASP A 90 -8.872 -7.900 -0.016 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.735 -9.390 -2.222 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.100 -9.059 -3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.946 -9.999 -1.658 1.00 0.00 H new ATOM 1390 N GLU A 91 -8.752 -6.237 -2.476 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.632 -5.017 -3.256 1.00 0.00 C ATOM 1392 C GLU A 91 -7.159 -4.706 -3.530 1.00 0.00 C ATOM 1393 O GLU A 91 -6.840 -3.963 -4.457 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.318 -3.845 -2.551 1.00 0.00 C ATOM 1395 CG GLU A 91 -10.834 -3.901 -2.745 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.274 -2.986 -3.890 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -10.665 -3.101 -4.975 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -12.211 -2.192 -3.654 1.00 0.00 O ATOM 0 H GLU A 91 -9.311 -6.147 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.136 -5.168 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.083 -3.868 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.932 -2.904 -2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.140 -4.926 -2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.334 -3.602 -1.823 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.301 -5.290 -2.707 1.00 0.00 N ATOM 1406 CA PHE A 92 -4.869 -5.084 -2.849 1.00 0.00 C ATOM 1407 C PHE A 92 -4.298 -5.958 -3.967 1.00 0.00 C ATOM 1408 O PHE A 92 -3.285 -5.613 -4.574 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.225 -5.490 -1.522 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.539 -4.338 -0.785 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.655 -3.541 -1.442 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -3.814 -4.111 0.527 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.018 -2.472 -0.759 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.178 -3.041 1.211 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.293 -2.244 0.554 1.00 0.00 C ATOM 0 H PHE A 92 -6.569 -5.906 -1.939 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.666 -4.043 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.990 -5.918 -0.874 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.492 -6.275 -1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.437 -3.721 -2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.516 -4.744 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.315 -1.840 -1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.397 -2.860 2.253 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.809 -1.431 1.074 1.00 0.00 H new ATOM 1425 N THR A 93 -4.973 -7.073 -4.207 1.00 0.00 N ATOM 1426 CA THR A 93 -4.545 -7.999 -5.242 1.00 0.00 C ATOM 1427 C THR A 93 -5.154 -7.609 -6.591 1.00 0.00 C ATOM 1428 O THR A 93 -4.529 -7.794 -7.634 1.00 0.00 O ATOM 1429 CB THR A 93 -4.917 -9.414 -4.794 1.00 0.00 C ATOM 1430 OG1 THR A 93 -3.756 -9.877 -4.109 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.066 -10.380 -5.970 1.00 0.00 C ATOM 0 H THR A 93 -5.813 -7.356 -3.702 1.00 0.00 H new ATOM 0 HA THR A 93 -3.465 -7.961 -5.385 1.00 0.00 H new ATOM 0 HB THR A 93 -5.849 -9.383 -4.230 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.955 -9.514 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.330 -11.369 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.850 -10.022 -6.637 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.124 -10.438 -6.515 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.366 -7.078 -6.525 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.066 -6.661 -7.728 1.00 0.00 C ATOM 1441 C LYS A 94 -6.417 -5.388 -8.275 1.00 0.00 C ATOM 1442 O LYS A 94 -6.355 -5.182 -9.486 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.564 -6.518 -7.454 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.144 -7.817 -6.889 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.425 -7.546 -6.097 1.00 0.00 C ATOM 1446 CE LYS A 94 -11.527 -8.536 -6.481 1.00 0.00 C ATOM 1447 NZ LYS A 94 -12.403 -8.812 -5.321 1.00 0.00 N ATOM 0 H LYS A 94 -6.881 -6.927 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.978 -7.423 -8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.732 -5.703 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.083 -6.255 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.355 -8.510 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.408 -8.298 -6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.219 -7.621 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.765 -6.527 -6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.118 -8.131 -7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.082 -9.465 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.145 -9.485 -5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.838 -9.219 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.842 -7.926 -4.999 1.00 0.00 H new ATOM 1461 N HIS A 95 -5.943 -4.554 -7.349 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.292 -3.292 -7.679 1.00 0.00 C ATOM 1463 C HIS A 95 -3.996 -3.565 -8.465 1.00 0.00 C ATOM 1464 O HIS A 95 -3.829 -3.135 -9.604 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.090 -2.484 -6.389 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.689 -1.036 -6.549 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.634 -0.432 -7.740 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.324 -0.088 -5.622 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.250 0.842 -7.563 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.045 1.107 -6.274 1.00 0.00 N ATOM 0 H HIS A 95 -6.001 -4.738 -6.347 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.913 -2.682 -8.335 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.017 -2.519 -5.817 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.328 -2.984 -5.791 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -4.849 -0.868 -8.637 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.264 -0.247 -4.555 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.124 1.558 -8.361 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.081 -4.294 -7.822 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.810 -4.639 -8.426 1.00 0.00 C ATOM 1480 C CYS A 96 -2.050 -5.324 -9.764 1.00 0.00 C ATOM 1481 O CYS A 96 -1.183 -5.246 -10.632 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.030 -5.550 -7.483 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.137 -4.523 -6.289 1.00 0.00 S ATOM 0 H CYS A 96 -3.207 -4.655 -6.876 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.225 -3.736 -8.600 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.709 -6.228 -6.965 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.331 -6.168 -8.047 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.198 -5.970 -9.906 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.522 -6.657 -11.144 1.00 0.00 C ATOM 1490 C ASN A 97 -3.966 -5.631 -12.190 1.00 0.00 C ATOM 1491 O ASN A 97 -4.024 -5.938 -13.380 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.668 -7.650 -10.940 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.173 -9.092 -11.069 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.634 -9.503 -12.083 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.386 -9.835 -9.987 1.00 0.00 N ATOM 0 H ASN A 97 -3.915 -6.032 -9.184 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.633 -7.195 -11.473 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.112 -7.501 -9.956 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.451 -7.463 -11.675 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.092 -10.812 -9.973 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.843 -9.428 -9.171 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.268 -4.435 -11.707 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.705 -3.363 -12.585 1.00 0.00 C ATOM 1504 C ASP A 98 -3.644 -2.260 -12.603 1.00 0.00 C ATOM 1505 O ASP A 98 -3.798 -1.257 -13.298 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.017 -2.749 -12.094 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.202 -2.908 -13.047 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -7.874 -3.957 -12.947 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -7.410 -1.977 -13.855 1.00 0.00 O ATOM 0 H ASP A 98 -4.219 -4.185 -10.719 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.853 -3.782 -13.580 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.277 -3.202 -11.137 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.857 -1.686 -11.911 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.591 -2.483 -11.830 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.506 -1.521 -11.748 1.00 0.00 C ATOM 1516 C ILE A 99 -0.240 -2.135 -12.349 1.00 0.00 C ATOM 1517 O ILE A 99 0.340 -1.582 -13.282 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.329 -1.033 -10.308 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.621 -0.408 -9.779 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.141 -0.076 -10.196 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.888 0.944 -10.443 1.00 0.00 C ATOM 0 H ILE A 99 -2.467 -3.316 -11.255 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.740 -0.632 -12.334 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.108 -1.895 -9.679 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.458 -1.081 -9.966 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.551 -0.279 -8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.037 0.256 -9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.770 -0.589 -10.506 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.308 0.788 -10.840 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.812 1.367 -10.049 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.061 1.622 -10.233 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.982 0.808 -11.520 1.00 0.00 H new ATOM 1533 N LEU A 100 0.152 -3.270 -11.789 1.00 0.00 N ATOM 1534 CA LEU A 100 1.339 -3.965 -12.258 1.00 0.00 C ATOM 1535 C LEU A 100 0.938 -4.992 -13.318 1.00 0.00 C ATOM 1536 O LEU A 100 1.775 -5.444 -14.098 1.00 0.00 O ATOM 1537 CB LEU A 100 2.109 -4.565 -11.080 1.00 0.00 C ATOM 1538 CG LEU A 100 2.861 -3.570 -10.193 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.540 -4.284 -9.022 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.854 -2.745 -11.015 1.00 0.00 C ATOM 0 H LEU A 100 -0.331 -3.726 -11.015 1.00 0.00 H new ATOM 0 HA LEU A 100 2.026 -3.266 -12.735 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.407 -5.118 -10.457 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.826 -5.287 -11.470 1.00 0.00 H new ATOM 0 HG LEU A 100 2.137 -2.874 -9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.067 -3.554 -8.407 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.787 -4.790 -8.418 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.250 -5.017 -9.405 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.375 -2.046 -10.361 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.578 -3.410 -11.486 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.317 -2.191 -11.785 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.343 -5.332 -13.312 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.865 -6.298 -14.263 1.00 0.00 C ATOM 1554 C GLY A 101 -0.852 -7.710 -13.674 1.00 0.00 C ATOM 1555 O GLY A 101 -1.023 -8.690 -14.398 1.00 0.00 O ATOM 0 H GLY A 101 -1.034 -4.955 -12.663 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.883 -6.026 -14.542 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.268 -6.275 -15.175 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.648 -7.769 -12.366 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.611 -9.045 -11.672 1.00 0.00 C ATOM 1561 C ALA A 102 -0.784 -8.808 -10.170 1.00 0.00 C ATOM 1562 O ALA A 102 -1.043 -7.685 -9.741 1.00 0.00 O ATOM 1563 CB ALA A 102 0.697 -9.767 -12.002 1.00 0.00 C ATOM 0 H ALA A 102 -0.507 -6.954 -11.769 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.429 -9.686 -12.001 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.725 -10.724 -11.482 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.758 -9.936 -13.077 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.541 -9.155 -11.683 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.634 -9.885 -9.413 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.770 -9.809 -7.968 1.00 0.00 C ATOM 1571 C ASP A 103 0.600 -9.534 -7.345 1.00 0.00 C ATOM 1572 O ASP A 103 1.566 -10.266 -7.546 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.295 -11.127 -7.394 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.034 -11.002 -6.061 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -1.691 -10.066 -5.307 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -2.925 -11.846 -5.824 1.00 0.00 O ATOM 0 H ASP A 103 -0.420 -10.815 -9.773 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.474 -9.009 -7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -1.966 -11.582 -8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.455 -11.810 -7.264 1.00 0.00 H new ATOM 1581 N CYS A 104 0.660 -8.446 -6.573 1.00 0.00 N ATOM 1582 CA CYS A 104 1.882 -8.043 -5.907 1.00 0.00 C ATOM 1583 C CYS A 104 2.332 -9.144 -4.957 1.00 0.00 C ATOM 1584 O CYS A 104 1.516 -9.999 -4.613 1.00 0.00 O ATOM 1585 CB CYS A 104 1.643 -6.739 -5.151 1.00 0.00 C ATOM 1586 SG CYS A 104 1.672 -5.369 -6.332 1.00 0.00 S ATOM 0 H CYS A 104 -0.134 -7.830 -6.399 1.00 0.00 H new ATOM 0 HA CYS A 104 2.668 -7.879 -6.644 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.684 -6.772 -4.635 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.410 -6.598 -4.390 1.00 0.00 H new ATOM 1591 N SER A 105 3.595 -9.109 -4.557 1.00 0.00 N ATOM 1592 CA SER A 105 4.121 -10.115 -3.651 1.00 0.00 C ATOM 1593 C SER A 105 3.401 -10.034 -2.304 1.00 0.00 C ATOM 1594 O SER A 105 2.816 -9.017 -1.936 1.00 0.00 O ATOM 1595 CB SER A 105 5.630 -9.946 -3.457 1.00 0.00 C ATOM 1596 OG SER A 105 6.225 -9.207 -4.520 1.00 0.00 O ATOM 0 H SER A 105 4.269 -8.399 -4.844 1.00 0.00 H new ATOM 0 HA SER A 105 3.946 -11.097 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.819 -9.438 -2.512 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.099 -10.928 -3.391 1.00 0.00 H new ATOM 0 HG SER A 105 7.188 -9.119 -4.359 1.00 0.00 H new ATOM 1602 N PRO A 106 3.457 -11.146 -1.567 1.00 0.00 N ATOM 1603 CA PRO A 106 2.847 -11.291 -0.262 1.00 0.00 C ATOM 1604 C PRO A 106 3.750 -10.669 0.794 1.00 0.00 C ATOM 1605 O PRO A 106 3.250 -10.284 1.850 1.00 0.00 O ATOM 1606 CB PRO A 106 2.720 -12.799 -0.055 1.00 0.00 C ATOM 1607 CG PRO A 106 3.927 -13.329 -0.808 1.00 0.00 C ATOM 1608 CD PRO A 106 4.135 -12.359 -1.969 1.00 0.00 C ATOM 0 HA PRO A 106 1.880 -10.794 -0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.748 -13.069 1.001 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.785 -13.188 -0.459 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.806 -13.367 -0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.752 -14.343 -1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.195 -12.178 -2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.719 -12.756 -2.895 1.00 0.00 H new ATOM 1616 N SER A 107 5.039 -10.585 0.500 1.00 0.00 N ATOM 1617 CA SER A 107 5.985 -10.010 1.440 1.00 0.00 C ATOM 1618 C SER A 107 6.119 -8.506 1.194 1.00 0.00 C ATOM 1619 O SER A 107 6.744 -7.797 1.981 1.00 0.00 O ATOM 1620 CB SER A 107 7.352 -10.689 1.332 1.00 0.00 C ATOM 1621 OG SER A 107 7.696 -11.389 2.524 1.00 0.00 O ATOM 0 H SER A 107 5.450 -10.906 -0.377 1.00 0.00 H new ATOM 0 HA SER A 107 5.607 -10.175 2.449 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.346 -11.384 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.114 -9.939 1.120 1.00 0.00 H new ATOM 0 HG SER A 107 7.773 -10.753 3.266 1.00 0.00 H new ATOM 1627 N GLU A 108 5.522 -8.063 0.097 1.00 0.00 N ATOM 1628 CA GLU A 108 5.567 -6.656 -0.264 1.00 0.00 C ATOM 1629 C GLU A 108 4.310 -5.940 0.235 1.00 0.00 C ATOM 1630 O GLU A 108 4.307 -4.720 0.393 1.00 0.00 O ATOM 1631 CB GLU A 108 5.735 -6.482 -1.774 1.00 0.00 C ATOM 1632 CG GLU A 108 4.396 -6.646 -2.497 1.00 0.00 C ATOM 1633 CD GLU A 108 3.985 -5.346 -3.191 1.00 0.00 C ATOM 1634 OE1 GLU A 108 3.464 -4.462 -2.477 1.00 0.00 O ATOM 1635 OE2 GLU A 108 4.200 -5.266 -4.420 1.00 0.00 O ATOM 0 H GLU A 108 5.004 -8.654 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 108 6.434 -6.205 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.149 -5.496 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.448 -7.215 -2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.471 -7.447 -3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.627 -6.940 -1.783 1.00 0.00 H new ATOM 1642 N LYS A 109 3.271 -6.729 0.468 1.00 0.00 N ATOM 1643 CA LYS A 109 2.011 -6.186 0.945 1.00 0.00 C ATOM 1644 C LYS A 109 2.160 -5.773 2.411 1.00 0.00 C ATOM 1645 O LYS A 109 1.791 -4.662 2.787 1.00 0.00 O ATOM 1646 CB LYS A 109 0.872 -7.178 0.698 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.436 -6.446 0.394 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.597 -6.214 -1.110 1.00 0.00 C ATOM 1649 CE LYS A 109 -0.876 -7.529 -1.841 1.00 0.00 C ATOM 1650 NZ LYS A 109 -2.160 -8.111 -1.389 1.00 0.00 N ATOM 0 H LYS A 109 3.276 -7.740 0.335 1.00 0.00 H new ATOM 0 HA LYS A 109 1.748 -5.288 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.129 -7.832 -0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.742 -7.814 1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.278 -7.028 0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.452 -5.490 0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.414 -5.514 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.308 -5.756 -1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.908 -7.354 -2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.065 -8.234 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.015 -9.105 -1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.513 -7.578 -0.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.855 -8.059 -2.161 1.00 0.00 H new ATOM 1664 N ALA A 110 2.702 -6.691 3.198 1.00 0.00 N ATOM 1665 CA ALA A 110 2.905 -6.436 4.614 1.00 0.00 C ATOM 1666 C ALA A 110 3.818 -5.220 4.784 1.00 0.00 C ATOM 1667 O ALA A 110 3.560 -4.358 5.623 1.00 0.00 O ATOM 1668 CB ALA A 110 3.474 -7.690 5.282 1.00 0.00 C ATOM 0 H ALA A 110 3.007 -7.612 2.882 1.00 0.00 H new ATOM 0 HA ALA A 110 1.958 -6.207 5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.626 -7.499 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.775 -8.517 5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.427 -7.948 4.819 1.00 0.00 H new ATOM 1674 N ASN A 111 4.866 -5.190 3.974 1.00 0.00 N ATOM 1675 CA ASN A 111 5.819 -4.094 4.024 1.00 0.00 C ATOM 1676 C ASN A 111 5.063 -2.764 3.973 1.00 0.00 C ATOM 1677 O ASN A 111 5.093 -1.992 4.931 1.00 0.00 O ATOM 1678 CB ASN A 111 6.775 -4.140 2.831 1.00 0.00 C ATOM 1679 CG ASN A 111 7.530 -2.818 2.681 1.00 0.00 C ATOM 1680 OD1 ASN A 111 7.869 -2.386 1.591 1.00 0.00 O ATOM 1681 ND2 ASN A 111 7.773 -2.200 3.834 1.00 0.00 N ATOM 0 H ASN A 111 5.076 -5.907 3.279 1.00 0.00 H new ATOM 0 HA ASN A 111 6.391 -4.186 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.486 -4.956 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.215 -4.348 1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.271 -1.310 3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.462 -2.617 4.711 1.00 0.00 H new ATOM 1688 N PHE A 112 4.404 -2.538 2.846 1.00 0.00 N ATOM 1689 CA PHE A 112 3.642 -1.315 2.658 1.00 0.00 C ATOM 1690 C PHE A 112 2.711 -1.061 3.845 1.00 0.00 C ATOM 1691 O PHE A 112 2.648 0.053 4.363 1.00 0.00 O ATOM 1692 CB PHE A 112 2.800 -1.503 1.395 1.00 0.00 C ATOM 1693 CG PHE A 112 2.100 -0.229 0.918 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.835 0.860 0.567 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.743 -0.185 0.845 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.186 2.043 0.125 1.00 0.00 C ATOM 1697 CE2 PHE A 112 0.093 0.998 0.403 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.828 2.087 0.052 1.00 0.00 C ATOM 0 H PHE A 112 4.382 -3.181 2.054 1.00 0.00 H new ATOM 0 HA PHE A 112 4.318 -0.464 2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.441 -1.874 0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.048 -2.270 1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.913 0.825 0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.159 -1.050 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.770 2.908 -0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.985 1.033 0.346 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.334 2.986 -0.285 1.00 0.00 H new ATOM 1708 N ILE A 113 2.009 -2.113 4.241 1.00 0.00 N ATOM 1709 CA ILE A 113 1.084 -2.019 5.357 1.00 0.00 C ATOM 1710 C ILE A 113 1.821 -1.470 6.580 1.00 0.00 C ATOM 1711 O ILE A 113 1.227 -0.787 7.413 1.00 0.00 O ATOM 1712 CB ILE A 113 0.401 -3.366 5.603 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.811 -3.542 4.687 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.034 -3.533 7.079 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.743 -4.873 3.937 1.00 0.00 C ATOM 0 H ILE A 113 2.063 -3.035 3.808 1.00 0.00 H new ATOM 0 HA ILE A 113 0.281 -1.319 5.128 1.00 0.00 H new ATOM 0 HB ILE A 113 1.108 -4.158 5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.726 -3.499 5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.854 -2.720 3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.450 -4.498 7.227 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.938 -3.483 7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.648 -2.736 7.377 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.617 -4.973 3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.161 -4.902 3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.725 -5.694 4.654 1.00 0.00 H new ATOM 1727 N ALA A 114 3.105 -1.790 6.650 1.00 0.00 N ATOM 1728 CA ALA A 114 3.930 -1.338 7.758 1.00 0.00 C ATOM 1729 C ALA A 114 4.235 0.151 7.585 1.00 0.00 C ATOM 1730 O ALA A 114 3.887 0.990 8.413 1.00 0.00 O ATOM 1731 CB ALA A 114 5.199 -2.190 7.831 1.00 0.00 C ATOM 0 H ALA A 114 3.594 -2.357 5.957 1.00 0.00 H new ATOM 0 HA ALA A 114 3.403 -1.459 8.704 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.818 -1.851 8.662 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.928 -3.235 7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.757 -2.092 6.900 1.00 0.00 H new ATOM 1737 N TYR A 115 4.905 0.465 6.474 1.00 0.00 N ATOM 1738 CA TYR A 115 5.274 1.831 6.165 1.00 0.00 C ATOM 1739 C TYR A 115 4.056 2.736 6.294 1.00 0.00 C ATOM 1740 O TYR A 115 4.215 3.896 6.670 1.00 0.00 O ATOM 1741 CB TYR A 115 5.847 1.895 4.753 1.00 0.00 C ATOM 1742 CG TYR A 115 7.092 2.743 4.645 1.00 0.00 C ATOM 1743 CD1 TYR A 115 6.985 4.113 4.374 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.353 2.160 4.816 1.00 0.00 C ATOM 1745 CE1 TYR A 115 8.139 4.899 4.274 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.507 2.946 4.716 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.400 4.316 4.445 1.00 0.00 C ATOM 1748 OH TYR A 115 10.524 5.082 4.347 1.00 0.00 O ATOM 0 H TYR A 115 5.200 -0.218 5.776 1.00 0.00 H new ATOM 0 HA TYR A 115 6.034 2.174 6.867 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.076 0.884 4.416 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.088 2.291 4.079 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.012 4.563 4.242 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.436 1.104 5.025 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.056 5.955 4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.480 2.496 4.848 1.00 0.00 H new ATOM 0 HH TYR A 115 11.315 4.522 4.493 1.00 0.00 H new ATOM 1758 N LEU A 116 2.884 2.200 5.985 1.00 0.00 N ATOM 1759 CA LEU A 116 1.660 2.977 6.075 1.00 0.00 C ATOM 1760 C LEU A 116 1.293 3.177 7.547 1.00 0.00 C ATOM 1761 O LEU A 116 0.880 4.265 7.945 1.00 0.00 O ATOM 1762 CB LEU A 116 0.550 2.325 5.248 1.00 0.00 C ATOM 1763 CG LEU A 116 0.446 2.776 3.789 1.00 0.00 C ATOM 1764 CD1 LEU A 116 -0.808 2.204 3.126 1.00 0.00 C ATOM 1765 CD2 LEU A 116 0.507 4.301 3.681 1.00 0.00 C ATOM 0 H LEU A 116 2.757 1.238 5.672 1.00 0.00 H new ATOM 0 HA LEU A 116 1.806 3.968 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.699 1.245 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.404 2.522 5.737 1.00 0.00 H new ATOM 0 HG LEU A 116 1.305 2.380 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.857 2.540 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.769 1.115 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.692 2.549 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.431 4.595 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.319 4.739 4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.452 4.657 4.090 1.00 0.00 H new ATOM 1777 N LEU A 117 1.459 2.110 8.315 1.00 0.00 N ATOM 1778 CA LEU A 117 1.151 2.155 9.734 1.00 0.00 C ATOM 1779 C LEU A 117 2.405 2.564 10.511 1.00 0.00 C ATOM 1780 O LEU A 117 2.507 2.308 11.709 1.00 0.00 O ATOM 1781 CB LEU A 117 0.549 0.826 10.194 1.00 0.00 C ATOM 1782 CG LEU A 117 1.549 -0.288 10.515 1.00 0.00 C ATOM 1783 CD1 LEU A 117 1.941 -0.262 11.993 1.00 0.00 C ATOM 1784 CD2 LEU A 117 1.004 -1.653 10.090 1.00 0.00 C ATOM 0 H LEU A 117 1.803 1.210 7.981 1.00 0.00 H new ATOM 0 HA LEU A 117 0.390 2.909 9.935 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.055 1.012 11.082 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.127 0.468 9.417 1.00 0.00 H new ATOM 0 HG LEU A 117 2.456 -0.110 9.938 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.652 -1.063 12.195 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.399 0.698 12.231 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.052 -0.402 12.608 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.734 -2.427 10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.074 -1.855 10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.816 -1.651 9.016 1.00 0.00 H new ATOM 1796 N THR A 118 3.326 3.193 9.796 1.00 0.00 N ATOM 1797 CA THR A 118 4.568 3.640 10.403 1.00 0.00 C ATOM 1798 C THR A 118 4.549 5.157 10.601 1.00 0.00 C ATOM 1799 O THR A 118 4.441 5.638 11.728 1.00 0.00 O ATOM 1800 CB THR A 118 5.724 3.156 9.526 1.00 0.00 C ATOM 1801 OG1 THR A 118 5.919 1.802 9.925 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.048 3.840 9.872 1.00 0.00 C ATOM 0 H THR A 118 3.237 3.404 8.802 1.00 0.00 H new ATOM 0 HA THR A 118 4.697 3.215 11.399 1.00 0.00 H new ATOM 0 HB THR A 118 5.485 3.337 8.478 1.00 0.00 H new ATOM 0 HG1 THR A 118 5.128 1.274 9.688 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.835 3.460 9.220 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.949 4.916 9.732 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.305 3.631 10.911 1.00 0.00 H new ATOM 1810 N GLU A 119 4.657 5.868 9.488 1.00 0.00 N ATOM 1811 CA GLU A 119 4.653 7.320 9.525 1.00 0.00 C ATOM 1812 C GLU A 119 3.322 7.834 10.077 1.00 0.00 C ATOM 1813 O GLU A 119 2.259 7.485 9.568 1.00 0.00 O ATOM 1814 CB GLU A 119 4.935 7.905 8.139 1.00 0.00 C ATOM 1815 CG GLU A 119 3.679 7.874 7.266 1.00 0.00 C ATOM 1816 CD GLU A 119 4.044 7.858 5.780 1.00 0.00 C ATOM 1817 OE1 GLU A 119 4.964 8.620 5.414 1.00 0.00 O ATOM 1818 OE2 GLU A 119 3.395 7.083 5.045 1.00 0.00 O ATOM 0 H GLU A 119 4.748 5.465 8.555 1.00 0.00 H new ATOM 0 HA GLU A 119 5.451 7.649 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.288 8.931 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.732 7.339 7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 119 3.085 6.992 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 119 3.060 8.744 7.483 1.00 0.00 H new ATOM 1825 N THR A 120 3.425 8.656 11.112 1.00 0.00 N ATOM 1826 CA THR A 120 2.242 9.222 11.738 1.00 0.00 C ATOM 1827 C THR A 120 2.211 10.739 11.546 1.00 0.00 C ATOM 1828 O THR A 120 1.925 11.481 12.484 1.00 0.00 O ATOM 1829 CB THR A 120 2.236 8.795 13.208 1.00 0.00 C ATOM 1830 OG1 THR A 120 3.503 9.223 13.699 1.00 0.00 O ATOM 1831 CG2 THR A 120 2.266 7.274 13.376 1.00 0.00 C ATOM 0 H THR A 120 4.309 8.943 11.532 1.00 0.00 H new ATOM 0 HA THR A 120 1.330 8.849 11.272 1.00 0.00 H new ATOM 0 HB THR A 120 1.350 9.197 13.699 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.583 8.987 14.647 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.260 7.025 14.437 1.00 0.00 H new ATOM 0 HG22 THR A 120 1.390 6.838 12.896 1.00 0.00 H new ATOM 0 HG23 THR A 120 3.169 6.875 12.914 1.00 0.00 H new ATOM 1839 N LYS A 121 2.508 11.155 10.324 1.00 0.00 N ATOM 1840 CA LYS A 121 2.518 12.570 9.997 1.00 0.00 C ATOM 1841 C LYS A 121 2.783 12.741 8.500 1.00 0.00 C ATOM 1842 O LYS A 121 3.465 11.942 7.862 1.00 0.00 O ATOM 1843 CB LYS A 121 3.511 13.319 10.887 1.00 0.00 C ATOM 1844 CG LYS A 121 4.942 12.840 10.636 1.00 0.00 C ATOM 1845 CD LYS A 121 5.681 12.606 11.956 1.00 0.00 C ATOM 1846 CE LYS A 121 6.968 13.432 12.017 1.00 0.00 C ATOM 1847 NZ LYS A 121 6.818 14.554 12.971 1.00 0.00 N ATOM 0 H LYS A 121 2.744 10.536 9.548 1.00 0.00 H new ATOM 0 HA LYS A 121 1.544 13.015 10.202 1.00 0.00 H new ATOM 0 HB2 LYS A 121 3.443 14.389 10.693 1.00 0.00 H new ATOM 0 HB3 LYS A 121 3.252 13.168 11.935 1.00 0.00 H new ATOM 0 HG2 LYS A 121 4.924 11.917 10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 121 5.478 13.580 10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.034 12.872 12.792 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.919 11.547 12.061 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.801 12.797 12.321 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.207 13.819 11.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.700 15.105 13.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.037 15.168 12.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.612 14.179 13.919 1.00 0.00 H new ATOM 1861 N PRO A 122 2.221 13.819 7.946 1.00 0.00 N ATOM 1862 CA PRO A 122 2.343 14.176 6.549 1.00 0.00 C ATOM 1863 C PRO A 122 3.768 14.626 6.260 1.00 0.00 C ATOM 1864 O PRO A 122 4.524 14.849 7.204 1.00 0.00 O ATOM 1865 CB PRO A 122 1.355 15.323 6.351 1.00 0.00 C ATOM 1866 CG PRO A 122 1.265 15.963 7.713 1.00 0.00 C ATOM 1867 CD PRO A 122 1.414 14.780 8.666 1.00 0.00 C ATOM 0 HA PRO A 122 2.130 13.344 5.878 1.00 0.00 H new ATOM 0 HB2 PRO A 122 1.708 16.030 5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 122 0.384 14.960 6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 122 2.052 16.702 7.863 1.00 0.00 H new ATOM 0 HG3 PRO A 122 0.314 16.476 7.854 1.00 0.00 H new ATOM 0 HD2 PRO A 122 1.895 15.081 9.597 1.00 0.00 H new ATOM 0 HD3 PRO A 122 0.443 14.361 8.930 1.00 0.00 H new ATOM 1875 N THR A 123 4.104 14.749 4.984 1.00 0.00 N ATOM 1876 CA THR A 123 5.440 15.172 4.599 1.00 0.00 C ATOM 1877 C THR A 123 5.656 16.644 4.954 1.00 0.00 C ATOM 1878 O THR A 123 6.571 16.978 5.705 1.00 0.00 O ATOM 1879 CB THR A 123 5.620 14.872 3.110 1.00 0.00 C ATOM 1880 OG1 THR A 123 5.957 13.488 3.072 1.00 0.00 O ATOM 1881 CG2 THR A 123 6.845 15.571 2.516 1.00 0.00 C ATOM 0 H THR A 123 3.474 14.563 4.204 1.00 0.00 H new ATOM 0 HA THR A 123 6.203 14.623 5.150 1.00 0.00 H new ATOM 0 HB THR A 123 4.727 15.181 2.567 1.00 0.00 H new ATOM 0 HG1 THR A 123 6.090 13.209 2.142 1.00 0.00 H new ATOM 0 HG21 THR A 123 6.927 15.325 1.457 1.00 0.00 H new ATOM 0 HG22 THR A 123 6.740 16.650 2.631 1.00 0.00 H new ATOM 0 HG23 THR A 123 7.743 15.237 3.036 1.00 0.00 H new ATOM 1889 N LYS A 124 4.799 17.486 4.396 1.00 0.00 N ATOM 1890 CA LYS A 124 4.885 18.915 4.644 1.00 0.00 C ATOM 1891 C LYS A 124 6.356 19.330 4.706 1.00 0.00 C ATOM 1892 O LYS A 124 7.190 18.783 3.986 1.00 0.00 O ATOM 1893 CB LYS A 124 4.086 19.291 5.894 1.00 0.00 C ATOM 1894 CG LYS A 124 4.855 18.927 7.166 1.00 0.00 C ATOM 1895 CD LYS A 124 4.870 20.097 8.151 1.00 0.00 C ATOM 1896 CE LYS A 124 6.259 20.276 8.769 1.00 0.00 C ATOM 1897 NZ LYS A 124 7.150 21.003 7.839 1.00 0.00 N ATOM 1898 OXT LYS A 124 6.656 20.238 5.511 1.00 0.00 O ATOM 0 H LYS A 124 4.042 17.206 3.773 1.00 0.00 H new ATOM 0 HA LYS A 124 4.431 19.472 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 124 3.874 20.360 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 124 3.126 18.775 5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 124 4.396 18.057 7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.877 18.649 6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 124 4.576 21.013 7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 124 4.137 19.923 8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.178 20.824 9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 124 6.687 19.302 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 8.109 20.604 7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 6.790 20.908 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.179 22.009 8.101 1.00 0.00 H new TER 1912 LYS A 124 HETATM 1913 FE HEC A 125 -3.484 2.812 -5.539 1.00 0.00 FE HETATM 1914 CHA HEC A 125 -6.335 2.705 -3.592 1.00 0.00 C HETATM 1915 CHB HEC A 125 -1.776 1.059 -3.113 1.00 0.00 C HETATM 1916 CHC HEC A 125 -0.640 2.751 -7.537 1.00 0.00 C HETATM 1917 CHD HEC A 125 -5.169 4.693 -7.883 1.00 0.00 C HETATM 1918 NA HEC A 125 -3.956 2.064 -3.724 1.00 0.00 N HETATM 1919 C1A HEC A 125 -5.193 2.081 -3.102 1.00 0.00 C HETATM 1920 C2A HEC A 125 -5.136 1.354 -1.856 1.00 0.00 C HETATM 1921 C3A HEC A 125 -3.874 0.897 -1.720 1.00 0.00 C HETATM 1922 C4A HEC A 125 -3.136 1.336 -2.881 1.00 0.00 C HETATM 1923 CMA HEC A 125 -3.302 0.083 -0.596 1.00 0.00 C HETATM 1924 CAA HEC A 125 -6.293 1.168 -0.918 1.00 0.00 C HETATM 1925 CBA HEC A 125 -6.220 2.033 0.337 1.00 0.00 C HETATM 1926 CGA HEC A 125 -5.999 1.180 1.579 1.00 0.00 C HETATM 1927 O1A HEC A 125 -7.014 0.679 2.110 1.00 0.00 O HETATM 1928 O2A HEC A 125 -4.821 1.046 1.973 1.00 0.00 O HETATM 1929 NB HEC A 125 -1.571 2.127 -5.328 1.00 0.00 N HETATM 1930 C1B HEC A 125 -1.115 1.304 -4.313 1.00 0.00 C HETATM 1931 C2B HEC A 125 0.157 0.723 -4.671 1.00 0.00 C HETATM 1932 C3B HEC A 125 0.475 1.190 -5.897 1.00 0.00 C HETATM 1933 C4B HEC A 125 -0.597 2.064 -6.310 1.00 0.00 C HETATM 1934 CMB HEC A 125 0.945 -0.219 -3.809 1.00 0.00 C HETATM 1935 CAB HEC A 125 1.698 0.887 -6.713 1.00 0.00 C HETATM 1936 CBB HEC A 125 2.014 -0.601 -6.828 1.00 0.00 C HETATM 1937 NC HEC A 125 -3.061 3.480 -7.412 1.00 0.00 N HETATM 1938 C1C HEC A 125 -1.814 3.491 -8.012 1.00 0.00 C HETATM 1939 C2C HEC A 125 -1.803 4.411 -9.126 1.00 0.00 C HETATM 1940 C3C HEC A 125 -3.035 4.956 -9.204 1.00 0.00 C HETATM 1941 C4C HEC A 125 -3.822 4.380 -8.139 1.00 0.00 C HETATM 1942 CMC HEC A 125 -0.617 4.678 -10.007 1.00 0.00 C HETATM 1943 CAC HEC A 125 -3.536 5.970 -10.190 1.00 0.00 C HETATM 1944 CBC HEC A 125 -3.421 5.528 -11.647 1.00 0.00 C HETATM 1945 ND HEC A 125 -5.348 3.576 -5.691 1.00 0.00 N HETATM 1946 C1D HEC A 125 -5.878 4.272 -6.763 1.00 0.00 C HETATM 1947 C2D HEC A 125 -7.288 4.506 -6.560 1.00 0.00 C HETATM 1948 C3D HEC A 125 -7.615 3.957 -5.371 1.00 0.00 C HETATM 1949 C4D HEC A 125 -6.410 3.376 -4.827 1.00 0.00 C HETATM 1950 CMD HEC A 125 -8.186 5.232 -7.520 1.00 0.00 C HETATM 1951 CAD HEC A 125 -8.959 3.929 -4.704 1.00 0.00 C HETATM 1952 CBD HEC A 125 -9.325 2.576 -4.100 1.00 0.00 C HETATM 1953 CGD HEC A 125 -9.594 2.696 -2.607 1.00 0.00 C HETATM 1954 O1D HEC A 125 -9.344 1.694 -1.903 1.00 0.00 O HETATM 1955 O2D HEC A 125 -10.043 3.789 -2.198 1.00 0.00 O HETATM 0 HMD3 HEC A 125 -7.820 6.249 -7.663 1.00 0.00 H new HETATM 0 HMD2 HEC A 125 -8.192 4.711 -8.477 1.00 0.00 H new HETATM 0 HMD1 HEC A 125 -9.199 5.264 -7.118 1.00 0.00 H new HETATM 0 HMC3 HEC A 125 0.205 5.063 -9.404 1.00 0.00 H new HETATM 0 HMC2 HEC A 125 -0.308 3.752 -10.492 1.00 0.00 H new HETATM 0 HMC1 HEC A 125 -0.886 5.413 -10.766 1.00 0.00 H new HETATM 0 HMB3 HEC A 125 1.192 0.270 -2.867 1.00 0.00 H new HETATM 0 HMB2 HEC A 125 0.352 -1.112 -3.609 1.00 0.00 H new HETATM 0 HMB1 HEC A 125 1.864 -0.501 -4.324 1.00 0.00 H new HETATM 0 HMA3 HEC A 125 -3.396 0.636 0.338 1.00 0.00 H new HETATM 0 HMA2 HEC A 125 -3.845 -0.859 -0.516 1.00 0.00 H new HETATM 0 HMA1 HEC A 125 -2.250 -0.121 -0.793 1.00 0.00 H new HETATM 0 HBD2 HEC A 125 -10.208 2.178 -4.601 1.00 0.00 H new HETATM 0 HBD1 HEC A 125 -8.515 1.867 -4.271 1.00 0.00 H new HETATM 0 HBC3 HEC A 125 -2.375 5.335 -11.887 1.00 0.00 H new HETATM 0 HBC2 HEC A 125 -4.002 4.618 -11.798 1.00 0.00 H new HETATM 0 HBC1 HEC A 125 -3.803 6.315 -12.297 1.00 0.00 H new HETATM 0 HBB3 HEC A 125 2.180 -1.016 -5.834 1.00 0.00 H new HETATM 0 HBB2 HEC A 125 1.177 -1.115 -7.300 1.00 0.00 H new HETATM 0 HBB1 HEC A 125 2.911 -0.737 -7.432 1.00 0.00 H new HETATM 0 HBA2 HEC A 125 -5.409 2.754 0.238 1.00 0.00 H new HETATM 0 HBA1 HEC A 125 -7.143 2.603 0.443 1.00 0.00 H new HETATM 0 HAD2 HEC A 125 -8.979 4.683 -3.918 1.00 0.00 H new HETATM 0 HAD1 HEC A 125 -9.720 4.208 -5.432 1.00 0.00 H new HETATM 0 HAA2 HEC A 125 -7.218 1.394 -1.449 1.00 0.00 H new HETATM 0 HAA1 HEC A 125 -6.343 0.120 -0.622 1.00 0.00 H new HETATM 0 HHD HEC A 125 -5.694 5.309 -8.613 1.00 0.00 H new HETATM 0 HHC HEC A 125 0.248 2.732 -8.169 1.00 0.00 H new HETATM 0 HHB HEC A 125 -1.201 0.622 -2.297 1.00 0.00 H new HETATM 0 HHA HEC A 125 -7.234 2.672 -2.977 1.00 0.00 H new HETATM 0 H2D HEC A 125 -10.397 3.678 -1.291 1.00 0.00 H new HETATM 0 H2A HEC A 125 -4.817 0.606 2.849 1.00 0.00 H new