USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 671 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 HIS : no HD1:sc= 0.621 K(o=1.1,f=-1.7!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -114:sc= 0.511 (180deg=-0.741) USER MOD Set 2.1: A 4 THR OG1 : rot -81:sc= 0.334 USER MOD Set 2.2: A 37 ASN : amide:sc= -2.4! C(o=-2.3!,f=-10!) USER MOD Set 2.3: A 40 GLN :FLIP amide:sc= -0.217 F(o=-12!,f=-2.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.0553) USER MOD Single : A 7 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 72:sc= 0.626 USER MOD Single : A 13 ASN : amide:sc= 0.652 K(o=0.65,f=-6.6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -88:sc= 1.32 USER MOD Single : A 45 SER OG : rot 121:sc= 0.45 USER MOD Single : A 49 MET CE :methyl -140:sc=-0.00397 (180deg=-0.664) USER MOD Single : A 54 GLN : amide:sc= 0.396 K(o=0.4,f=-0.56) USER MOD Single : A 56 HIS : no HD1:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 59 TYR OH : rot 130:sc= -0.0335 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -4.35! C(o=-4.4!,f=-12!) USER MOD Single : A 73 THR OG1 : rot 103:sc= 0.98 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0.85 K(o=0.85,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -14:sc= -0.208 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.525 21.411 6.427 1.00 0.00 N ATOM 2 CA MET A 1 -22.149 19.978 6.487 1.00 0.00 C ATOM 3 C MET A 1 -23.305 18.951 6.512 1.00 0.00 C ATOM 4 O MET A 1 -23.496 18.221 5.541 1.00 0.00 O ATOM 5 CB MET A 1 -21.155 19.710 7.626 1.00 0.00 C ATOM 6 CG MET A 1 -19.766 20.276 7.318 1.00 0.00 C ATOM 7 SD MET A 1 -18.543 19.898 8.625 1.00 0.00 S ATOM 8 CE MET A 1 -17.090 20.618 7.895 1.00 0.00 C ATOM 0 H1 MET A 1 -21.680 21.984 6.228 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.226 21.555 5.672 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.933 21.701 7.338 1.00 0.00 H new ATOM 0 HA MET A 1 -21.673 19.806 5.522 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.531 20.154 8.548 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.080 18.636 7.797 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.415 19.870 6.369 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.838 21.357 7.195 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.240 20.478 8.563 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.885 20.134 6.940 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.254 21.684 7.734 1.00 0.00 H new ATOM 20 N GLY A 2 -24.016 18.872 7.651 1.00 0.00 N ATOM 21 CA GLY A 2 -25.115 17.901 7.850 1.00 0.00 C ATOM 22 C GLY A 2 -24.596 16.455 7.810 1.00 0.00 C ATOM 23 O GLY A 2 -23.571 16.132 8.413 1.00 0.00 O ATOM 0 H GLY A 2 -23.849 19.474 8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -25.600 18.089 8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -25.871 18.040 7.077 1.00 0.00 H new ATOM 27 N VAL A 3 -25.306 15.621 7.053 1.00 0.00 N ATOM 28 CA VAL A 3 -24.950 14.197 6.859 1.00 0.00 C ATOM 29 C VAL A 3 -23.742 13.995 5.927 1.00 0.00 C ATOM 30 O VAL A 3 -23.859 13.852 4.712 1.00 0.00 O ATOM 31 CB VAL A 3 -26.152 13.308 6.474 1.00 0.00 C ATOM 32 CG1 VAL A 3 -27.066 13.108 7.685 1.00 0.00 C ATOM 33 CG2 VAL A 3 -26.968 13.839 5.286 1.00 0.00 C ATOM 0 H VAL A 3 -26.148 15.904 6.551 1.00 0.00 H new ATOM 0 HA VAL A 3 -24.632 13.851 7.842 1.00 0.00 H new ATOM 0 HB VAL A 3 -25.731 12.356 6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -27.911 12.480 7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -26.507 12.626 8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -27.432 14.076 8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -27.794 13.158 5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -27.363 14.826 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -26.327 13.910 4.407 1.00 0.00 H new ATOM 43 N THR A 4 -22.581 14.199 6.537 1.00 0.00 N ATOM 44 CA THR A 4 -21.262 13.985 5.896 1.00 0.00 C ATOM 45 C THR A 4 -20.668 12.597 6.212 1.00 0.00 C ATOM 46 O THR A 4 -20.150 11.910 5.336 1.00 0.00 O ATOM 47 CB THR A 4 -20.297 15.153 6.212 1.00 0.00 C ATOM 48 OG1 THR A 4 -19.028 14.935 5.593 1.00 0.00 O ATOM 49 CG2 THR A 4 -20.110 15.448 7.707 1.00 0.00 C ATOM 0 H THR A 4 -22.513 14.522 7.502 1.00 0.00 H new ATOM 0 HA THR A 4 -21.414 13.986 4.817 1.00 0.00 H new ATOM 0 HB THR A 4 -20.776 16.039 5.795 1.00 0.00 H new ATOM 0 HG1 THR A 4 -18.498 14.320 6.142 1.00 0.00 H new ATOM 0 HG21 THR A 4 -19.418 16.281 7.830 1.00 0.00 H new ATOM 0 HG22 THR A 4 -21.072 15.707 8.150 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.708 14.566 8.204 1.00 0.00 H new ATOM 57 N GLU A 5 -20.837 12.180 7.463 1.00 0.00 N ATOM 58 CA GLU A 5 -20.418 10.872 8.000 1.00 0.00 C ATOM 59 C GLU A 5 -21.143 9.679 7.327 1.00 0.00 C ATOM 60 O GLU A 5 -20.512 8.854 6.663 1.00 0.00 O ATOM 61 CB GLU A 5 -20.460 10.887 9.545 1.00 0.00 C ATOM 62 CG GLU A 5 -21.783 11.238 10.256 1.00 0.00 C ATOM 63 CD GLU A 5 -22.088 12.717 10.521 1.00 0.00 C ATOM 64 OE1 GLU A 5 -21.960 13.518 9.565 1.00 0.00 O ATOM 65 OE2 GLU A 5 -22.593 13.002 11.625 1.00 0.00 O ATOM 0 H GLU A 5 -21.288 12.763 8.168 1.00 0.00 H new ATOM 0 HA GLU A 5 -19.375 10.702 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -20.152 9.900 9.892 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -19.705 11.595 9.887 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -22.600 10.830 9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -21.795 10.718 11.214 1.00 0.00 H new ATOM 72 N ALA A 6 -22.401 9.468 7.709 1.00 0.00 N ATOM 73 CA ALA A 6 -23.368 8.619 6.986 1.00 0.00 C ATOM 74 C ALA A 6 -23.858 9.253 5.670 1.00 0.00 C ATOM 75 O ALA A 6 -23.591 10.419 5.384 1.00 0.00 O ATOM 76 CB ALA A 6 -24.555 8.357 7.920 1.00 0.00 C ATOM 0 H ALA A 6 -22.794 9.890 8.550 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.870 7.690 6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -25.287 7.730 7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -24.205 7.849 8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -25.017 9.305 8.195 1.00 0.00 H new ATOM 82 N GLN A 7 -24.602 8.441 4.917 1.00 0.00 N ATOM 83 CA GLN A 7 -25.267 8.808 3.646 1.00 0.00 C ATOM 84 C GLN A 7 -26.221 7.651 3.272 1.00 0.00 C ATOM 85 O GLN A 7 -27.197 7.449 3.987 1.00 0.00 O ATOM 86 CB GLN A 7 -24.243 9.137 2.543 1.00 0.00 C ATOM 87 CG GLN A 7 -24.874 10.028 1.463 1.00 0.00 C ATOM 88 CD GLN A 7 -24.000 10.305 0.230 1.00 0.00 C ATOM 89 OE1 GLN A 7 -24.498 10.537 -0.860 1.00 0.00 O ATOM 90 NE2 GLN A 7 -22.690 10.306 0.351 1.00 0.00 N ATOM 0 H GLN A 7 -24.770 7.469 5.178 1.00 0.00 H new ATOM 0 HA GLN A 7 -25.847 9.723 3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -23.381 9.641 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -23.878 8.214 2.092 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -25.801 9.562 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -25.142 10.982 1.917 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -22.261 10.114 1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -22.103 10.499 -0.461 1.00 0.00 H new ATOM 99 N TYR A 8 -25.788 6.746 2.390 1.00 0.00 N ATOM 100 CA TYR A 8 -26.562 5.559 1.964 1.00 0.00 C ATOM 101 C TYR A 8 -26.922 4.565 3.093 1.00 0.00 C ATOM 102 O TYR A 8 -28.091 4.273 3.308 1.00 0.00 O ATOM 103 CB TYR A 8 -25.806 4.879 0.808 1.00 0.00 C ATOM 104 CG TYR A 8 -26.454 3.608 0.235 1.00 0.00 C ATOM 105 CD1 TYR A 8 -27.835 3.428 0.210 1.00 0.00 C ATOM 106 CD2 TYR A 8 -25.626 2.618 -0.278 1.00 0.00 C ATOM 107 CE1 TYR A 8 -28.378 2.264 -0.313 1.00 0.00 C ATOM 108 CE2 TYR A 8 -26.167 1.452 -0.805 1.00 0.00 C ATOM 109 CZ TYR A 8 -27.546 1.278 -0.822 1.00 0.00 C ATOM 110 OH TYR A 8 -28.090 0.133 -1.304 1.00 0.00 O ATOM 0 H TYR A 8 -24.875 6.812 1.940 1.00 0.00 H new ATOM 0 HA TYR A 8 -27.538 5.911 1.631 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -25.693 5.601 -0.000 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -24.803 4.628 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -28.485 4.198 0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -24.555 2.755 -0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -29.449 2.125 -0.324 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -25.519 0.684 -1.200 1.00 0.00 H new ATOM 0 HH TYR A 8 -27.377 -0.458 -1.626 1.00 0.00 H new ATOM 120 N VAL A 9 -25.890 3.963 3.687 1.00 0.00 N ATOM 121 CA VAL A 9 -25.960 2.993 4.812 1.00 0.00 C ATOM 122 C VAL A 9 -26.827 1.744 4.498 1.00 0.00 C ATOM 123 O VAL A 9 -27.981 1.642 4.907 1.00 0.00 O ATOM 124 CB VAL A 9 -26.431 3.632 6.145 1.00 0.00 C ATOM 125 CG1 VAL A 9 -26.044 2.747 7.336 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.938 5.063 6.398 1.00 0.00 C ATOM 0 H VAL A 9 -24.930 4.139 3.391 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.928 2.664 4.938 1.00 0.00 H new ATOM 0 HB VAL A 9 -27.514 3.702 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.383 3.213 8.261 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -26.512 1.769 7.230 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.961 2.629 7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -26.323 5.417 7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.848 5.074 6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.292 5.716 5.601 1.00 0.00 H new ATOM 136 N ALA A 10 -26.224 0.777 3.807 1.00 0.00 N ATOM 137 CA ALA A 10 -26.838 -0.554 3.610 1.00 0.00 C ATOM 138 C ALA A 10 -25.910 -1.697 4.081 1.00 0.00 C ATOM 139 O ALA A 10 -24.975 -2.056 3.360 1.00 0.00 O ATOM 140 CB ALA A 10 -27.249 -0.730 2.144 1.00 0.00 C ATOM 0 H ALA A 10 -25.308 0.882 3.370 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.732 -0.609 4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -27.700 -1.713 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -27.970 0.041 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.369 -0.643 1.507 1.00 0.00 H new ATOM 146 N PRO A 11 -26.031 -2.127 5.350 1.00 0.00 N ATOM 147 CA PRO A 11 -25.188 -3.196 5.924 1.00 0.00 C ATOM 148 C PRO A 11 -25.492 -4.590 5.361 1.00 0.00 C ATOM 149 O PRO A 11 -26.605 -4.862 4.916 1.00 0.00 O ATOM 150 CB PRO A 11 -25.423 -3.115 7.434 1.00 0.00 C ATOM 151 CG PRO A 11 -26.847 -2.570 7.543 1.00 0.00 C ATOM 152 CD PRO A 11 -26.949 -1.586 6.375 1.00 0.00 C ATOM 0 HA PRO A 11 -24.141 -3.046 5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -25.329 -4.092 7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -24.702 -2.456 7.918 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -27.588 -3.366 7.462 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -27.014 -2.075 8.500 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.970 -1.522 5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.657 -0.580 6.677 1.00 0.00 H new ATOM 160 N THR A 12 -24.422 -5.366 5.202 1.00 0.00 N ATOM 161 CA THR A 12 -24.545 -6.786 4.804 1.00 0.00 C ATOM 162 C THR A 12 -24.268 -7.740 5.983 1.00 0.00 C ATOM 163 O THR A 12 -25.196 -8.181 6.653 1.00 0.00 O ATOM 164 CB THR A 12 -23.637 -7.127 3.605 1.00 0.00 C ATOM 165 OG1 THR A 12 -23.649 -6.061 2.654 1.00 0.00 O ATOM 166 CG2 THR A 12 -24.084 -8.420 2.914 1.00 0.00 C ATOM 0 H THR A 12 -23.462 -5.048 5.339 1.00 0.00 H new ATOM 0 HA THR A 12 -25.579 -6.931 4.493 1.00 0.00 H new ATOM 0 HB THR A 12 -22.627 -7.268 3.990 1.00 0.00 H new ATOM 0 HG1 THR A 12 -23.158 -5.294 3.016 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.423 -8.631 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 12 -24.042 -9.245 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 12 -25.106 -8.305 2.552 1.00 0.00 H new ATOM 174 N ASN A 13 -22.990 -7.995 6.262 1.00 0.00 N ATOM 175 CA ASN A 13 -22.561 -9.039 7.216 1.00 0.00 C ATOM 176 C ASN A 13 -21.819 -8.466 8.440 1.00 0.00 C ATOM 177 O ASN A 13 -21.587 -7.259 8.529 1.00 0.00 O ATOM 178 CB ASN A 13 -21.690 -10.049 6.448 1.00 0.00 C ATOM 179 CG ASN A 13 -20.284 -9.556 6.072 1.00 0.00 C ATOM 180 OD1 ASN A 13 -19.940 -8.381 6.139 1.00 0.00 O ATOM 181 ND2 ASN A 13 -19.395 -10.489 5.817 1.00 0.00 N ATOM 0 H ASN A 13 -22.215 -7.487 5.836 1.00 0.00 H new ATOM 0 HA ASN A 13 -23.444 -9.531 7.625 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -21.591 -10.951 7.052 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -22.213 -10.333 5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.417 -10.236 5.674 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -19.683 -11.466 5.762 1.00 0.00 H new ATOM 188 N ALA A 14 -21.313 -9.387 9.264 1.00 0.00 N ATOM 189 CA ALA A 14 -20.446 -9.093 10.424 1.00 0.00 C ATOM 190 C ALA A 14 -19.294 -8.128 10.088 1.00 0.00 C ATOM 191 O ALA A 14 -19.386 -6.977 10.496 1.00 0.00 O ATOM 192 CB ALA A 14 -19.906 -10.401 11.013 1.00 0.00 C ATOM 0 H ALA A 14 -21.495 -10.384 9.146 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.061 -8.583 11.165 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.267 -10.179 11.868 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.739 -11.026 11.335 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.327 -10.930 10.256 1.00 0.00 H new ATOM 198 N VAL A 15 -18.462 -8.486 9.105 1.00 0.00 N ATOM 199 CA VAL A 15 -17.293 -7.681 8.661 1.00 0.00 C ATOM 200 C VAL A 15 -17.710 -6.231 8.338 1.00 0.00 C ATOM 201 O VAL A 15 -17.257 -5.295 8.997 1.00 0.00 O ATOM 202 CB VAL A 15 -16.593 -8.341 7.449 1.00 0.00 C ATOM 203 CG1 VAL A 15 -15.345 -7.567 7.000 1.00 0.00 C ATOM 204 CG2 VAL A 15 -16.176 -9.786 7.744 1.00 0.00 C ATOM 0 H VAL A 15 -18.573 -9.354 8.580 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.578 -7.648 9.483 1.00 0.00 H new ATOM 0 HB VAL A 15 -17.333 -8.327 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.891 -8.072 6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.628 -6.554 6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.628 -7.525 7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -15.689 -10.210 6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.484 -9.800 8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.059 -10.376 7.990 1.00 0.00 H new ATOM 214 N GLU A 16 -18.732 -6.112 7.488 1.00 0.00 N ATOM 215 CA GLU A 16 -19.333 -4.820 7.104 1.00 0.00 C ATOM 216 C GLU A 16 -19.804 -3.977 8.303 1.00 0.00 C ATOM 217 O GLU A 16 -19.224 -2.926 8.570 1.00 0.00 O ATOM 218 CB GLU A 16 -20.491 -5.028 6.128 1.00 0.00 C ATOM 219 CG GLU A 16 -20.019 -5.282 4.691 1.00 0.00 C ATOM 220 CD GLU A 16 -20.781 -4.414 3.679 1.00 0.00 C ATOM 221 OE1 GLU A 16 -21.955 -4.077 3.973 1.00 0.00 O ATOM 222 OE2 GLU A 16 -20.142 -4.039 2.676 1.00 0.00 O ATOM 0 H GLU A 16 -19.175 -6.914 7.039 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.536 -4.257 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.094 -5.872 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.136 -4.149 6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.952 -5.074 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.157 -6.335 4.444 1.00 0.00 H new ATOM 229 N SER A 17 -20.735 -4.532 9.078 1.00 0.00 N ATOM 230 CA SER A 17 -21.351 -3.843 10.235 1.00 0.00 C ATOM 231 C SER A 17 -20.347 -3.531 11.360 1.00 0.00 C ATOM 232 O SER A 17 -20.197 -2.371 11.739 1.00 0.00 O ATOM 233 CB SER A 17 -22.525 -4.669 10.774 1.00 0.00 C ATOM 234 OG SER A 17 -23.228 -3.920 11.767 1.00 0.00 O ATOM 0 H SER A 17 -21.092 -5.476 8.929 1.00 0.00 H new ATOM 0 HA SER A 17 -21.714 -2.881 9.874 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.200 -4.934 9.960 1.00 0.00 H new ATOM 0 HB3 SER A 17 -22.159 -5.603 11.201 1.00 0.00 H new ATOM 0 HG SER A 17 -23.978 -4.451 12.107 1.00 0.00 H new ATOM 240 N LYS A 18 -19.496 -4.510 11.669 1.00 0.00 N ATOM 241 CA LYS A 18 -18.421 -4.425 12.681 1.00 0.00 C ATOM 242 C LYS A 18 -17.460 -3.269 12.356 1.00 0.00 C ATOM 243 O LYS A 18 -17.373 -2.307 13.116 1.00 0.00 O ATOM 244 CB LYS A 18 -17.661 -5.758 12.703 1.00 0.00 C ATOM 245 CG LYS A 18 -16.678 -5.927 13.865 1.00 0.00 C ATOM 246 CD LYS A 18 -17.394 -6.289 15.167 1.00 0.00 C ATOM 247 CE LYS A 18 -16.376 -6.553 16.277 1.00 0.00 C ATOM 248 NZ LYS A 18 -17.029 -7.088 17.478 1.00 0.00 N ATOM 0 H LYS A 18 -19.530 -5.420 11.210 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.858 -4.231 13.661 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.386 -6.571 12.740 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.113 -5.862 11.766 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.955 -6.705 13.619 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.117 -5.003 14.004 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.061 -5.478 15.461 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.014 -7.172 15.015 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.623 -7.258 15.924 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.855 -5.628 16.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.315 -7.258 18.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.730 -6.403 17.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.505 -7.983 17.245 1.00 0.00 H new ATOM 262 N LEU A 19 -16.879 -3.305 11.155 1.00 0.00 N ATOM 263 CA LEU A 19 -15.977 -2.236 10.685 1.00 0.00 C ATOM 264 C LEU A 19 -16.669 -0.873 10.542 1.00 0.00 C ATOM 265 O LEU A 19 -16.120 0.113 11.022 1.00 0.00 O ATOM 266 CB LEU A 19 -15.245 -2.622 9.393 1.00 0.00 C ATOM 267 CG LEU A 19 -13.924 -3.404 9.537 1.00 0.00 C ATOM 268 CD1 LEU A 19 -12.869 -2.596 10.302 1.00 0.00 C ATOM 269 CD2 LEU A 19 -14.113 -4.799 10.138 1.00 0.00 C ATOM 0 H LEU A 19 -17.014 -4.062 10.485 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.231 -2.123 11.472 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.925 -3.218 8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.037 -1.708 8.837 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.553 -3.560 8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.952 -3.180 10.383 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.663 -1.669 9.767 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.241 -2.364 11.300 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.146 -5.297 10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.553 -4.711 11.131 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.774 -5.384 9.499 1.00 0.00 H new ATOM 281 N ALA A 20 -17.916 -0.849 10.068 1.00 0.00 N ATOM 282 CA ALA A 20 -18.736 0.383 10.029 1.00 0.00 C ATOM 283 C ALA A 20 -18.946 1.003 11.424 1.00 0.00 C ATOM 284 O ALA A 20 -18.783 2.211 11.596 1.00 0.00 O ATOM 285 CB ALA A 20 -20.090 0.103 9.371 1.00 0.00 C ATOM 0 H ALA A 20 -18.392 -1.673 9.700 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.183 1.109 9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.681 1.019 9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.933 -0.251 8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.621 -0.659 9.942 1.00 0.00 H new ATOM 291 N GLU A 21 -19.206 0.147 12.414 1.00 0.00 N ATOM 292 CA GLU A 21 -19.276 0.510 13.843 1.00 0.00 C ATOM 293 C GLU A 21 -17.936 1.083 14.349 1.00 0.00 C ATOM 294 O GLU A 21 -17.896 2.220 14.821 1.00 0.00 O ATOM 295 CB GLU A 21 -19.705 -0.727 14.641 1.00 0.00 C ATOM 296 CG GLU A 21 -19.947 -0.443 16.130 1.00 0.00 C ATOM 297 CD GLU A 21 -20.270 -1.712 16.928 1.00 0.00 C ATOM 298 OE1 GLU A 21 -19.598 -2.744 16.699 1.00 0.00 O ATOM 299 OE2 GLU A 21 -21.144 -1.604 17.817 1.00 0.00 O ATOM 0 H GLU A 21 -19.379 -0.844 12.247 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.014 1.300 13.982 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.617 -1.133 14.204 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.937 -1.495 14.546 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.063 0.033 16.554 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.769 0.265 16.232 1.00 0.00 H new ATOM 306 N ILE A 22 -16.850 0.354 14.081 1.00 0.00 N ATOM 307 CA ILE A 22 -15.469 0.778 14.404 1.00 0.00 C ATOM 308 C ILE A 22 -15.174 2.161 13.787 1.00 0.00 C ATOM 309 O ILE A 22 -14.980 3.123 14.526 1.00 0.00 O ATOM 310 CB ILE A 22 -14.462 -0.311 13.970 1.00 0.00 C ATOM 311 CG1 ILE A 22 -14.722 -1.604 14.759 1.00 0.00 C ATOM 312 CG2 ILE A 22 -13.005 0.144 14.170 1.00 0.00 C ATOM 313 CD1 ILE A 22 -14.105 -2.863 14.135 1.00 0.00 C ATOM 0 H ILE A 22 -16.896 -0.559 13.629 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.361 0.892 15.483 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.607 -0.494 12.905 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.329 -1.484 15.769 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.798 -1.749 14.851 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.329 -0.650 13.853 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.818 1.038 13.576 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -12.835 0.366 15.223 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -14.337 -3.728 14.756 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.515 -3.013 13.136 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.024 -2.744 14.069 1.00 0.00 H new ATOM 325 N TRP A 23 -15.385 2.282 12.477 1.00 0.00 N ATOM 326 CA TRP A 23 -15.198 3.540 11.728 1.00 0.00 C ATOM 327 C TRP A 23 -16.024 4.703 12.293 1.00 0.00 C ATOM 328 O TRP A 23 -15.428 5.646 12.803 1.00 0.00 O ATOM 329 CB TRP A 23 -15.487 3.351 10.232 1.00 0.00 C ATOM 330 CG TRP A 23 -14.524 2.392 9.521 1.00 0.00 C ATOM 331 CD1 TRP A 23 -14.893 1.436 8.670 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.155 2.246 9.732 1.00 0.00 C ATOM 333 NE1 TRP A 23 -13.839 0.682 8.355 1.00 0.00 N ATOM 334 CE2 TRP A 23 -12.766 1.140 8.989 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.217 2.963 10.459 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.433 0.735 8.998 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -10.885 2.560 10.468 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.499 1.436 9.745 1.00 0.00 C ATOM 0 H TRP A 23 -15.694 1.505 11.893 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.148 3.807 11.849 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.505 2.979 10.114 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.444 4.322 9.740 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -15.895 1.293 8.292 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.855 -0.121 7.726 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.520 3.835 11.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -11.127 -0.126 8.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.154 3.118 11.034 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.470 1.109 9.766 1.00 0.00 H new ATOM 349 N GLU A 24 -17.331 4.505 12.465 1.00 0.00 N ATOM 350 CA GLU A 24 -18.236 5.560 12.977 1.00 0.00 C ATOM 351 C GLU A 24 -17.916 6.091 14.386 1.00 0.00 C ATOM 352 O GLU A 24 -18.348 7.188 14.738 1.00 0.00 O ATOM 353 CB GLU A 24 -19.702 5.135 12.855 1.00 0.00 C ATOM 354 CG GLU A 24 -20.230 4.039 13.785 1.00 0.00 C ATOM 355 CD GLU A 24 -21.528 3.390 13.276 1.00 0.00 C ATOM 356 OE1 GLU A 24 -22.178 3.976 12.378 1.00 0.00 O ATOM 357 OE2 GLU A 24 -21.824 2.280 13.765 1.00 0.00 O ATOM 0 H GLU A 24 -17.798 3.622 12.259 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.052 6.415 12.327 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.317 6.022 13.007 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.866 4.805 11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.467 3.269 13.900 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.406 4.463 14.773 1.00 0.00 H new ATOM 364 N ARG A 25 -17.347 5.207 15.203 1.00 0.00 N ATOM 365 CA ARG A 25 -16.766 5.522 16.519 1.00 0.00 C ATOM 366 C ARG A 25 -15.412 6.255 16.368 1.00 0.00 C ATOM 367 O ARG A 25 -15.326 7.458 16.613 1.00 0.00 O ATOM 368 CB ARG A 25 -16.624 4.187 17.261 1.00 0.00 C ATOM 369 CG ARG A 25 -16.229 4.317 18.732 1.00 0.00 C ATOM 370 CD ARG A 25 -15.962 2.921 19.298 1.00 0.00 C ATOM 371 NE ARG A 25 -15.703 3.000 20.746 1.00 0.00 N ATOM 372 CZ ARG A 25 -16.351 2.329 21.702 1.00 0.00 C ATOM 373 NH1 ARG A 25 -17.308 1.450 21.435 1.00 0.00 N ATOM 374 NH2 ARG A 25 -16.017 2.508 22.972 1.00 0.00 N ATOM 0 H ARG A 25 -17.272 4.218 14.965 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.404 6.201 17.084 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.570 3.649 17.198 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.877 3.580 16.750 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.340 4.940 18.830 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -17.025 4.806 19.294 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.819 2.274 19.109 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.107 2.473 18.792 1.00 0.00 H new ATOM 0 HE ARG A 25 -14.957 3.627 21.047 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -17.575 1.264 20.468 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -17.777 0.960 22.197 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.268 3.156 23.216 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -16.509 1.998 23.706 1.00 0.00 H new ATOM 388 N VAL A 26 -14.447 5.565 15.759 1.00 0.00 N ATOM 389 CA VAL A 26 -13.036 5.994 15.611 1.00 0.00 C ATOM 390 C VAL A 26 -12.877 7.331 14.852 1.00 0.00 C ATOM 391 O VAL A 26 -12.286 8.260 15.394 1.00 0.00 O ATOM 392 CB VAL A 26 -12.223 4.827 14.999 1.00 0.00 C ATOM 393 CG1 VAL A 26 -10.775 5.185 14.650 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.168 3.648 15.978 1.00 0.00 C ATOM 0 H VAL A 26 -14.623 4.654 15.335 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.630 6.217 16.597 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.745 4.577 14.076 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.276 4.313 14.227 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.766 5.996 13.922 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.251 5.501 15.552 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.594 2.834 15.536 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.691 3.967 16.905 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.180 3.304 16.190 1.00 0.00 H new ATOM 404 N LEU A 27 -13.592 7.467 13.733 1.00 0.00 N ATOM 405 CA LEU A 27 -13.636 8.669 12.865 1.00 0.00 C ATOM 406 C LEU A 27 -14.049 9.959 13.605 1.00 0.00 C ATOM 407 O LEU A 27 -13.606 11.047 13.239 1.00 0.00 O ATOM 408 CB LEU A 27 -14.604 8.337 11.716 1.00 0.00 C ATOM 409 CG LEU A 27 -14.815 9.365 10.596 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.250 8.611 9.339 1.00 0.00 C ATOM 411 CD2 LEU A 27 -15.929 10.360 10.940 1.00 0.00 C ATOM 0 H LEU A 27 -14.186 6.715 13.383 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.634 8.889 12.498 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.259 7.413 11.253 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.578 8.128 12.158 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.883 9.913 10.455 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.407 9.320 8.526 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.475 7.899 9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.178 8.076 9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.047 11.071 10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.864 9.821 11.091 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.669 10.897 11.852 1.00 0.00 H new ATOM 423 N GLY A 28 -14.798 9.772 14.699 1.00 0.00 N ATOM 424 CA GLY A 28 -15.453 10.854 15.456 1.00 0.00 C ATOM 425 C GLY A 28 -16.939 10.516 15.625 1.00 0.00 C ATOM 426 O GLY A 28 -17.735 10.764 14.720 1.00 0.00 O ATOM 0 H GLY A 28 -14.971 8.847 15.093 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.980 10.971 16.431 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.340 11.803 14.931 1.00 0.00 H new ATOM 430 N VAL A 29 -17.166 9.670 16.631 1.00 0.00 N ATOM 431 CA VAL A 29 -18.470 9.154 17.112 1.00 0.00 C ATOM 432 C VAL A 29 -19.721 9.935 16.658 1.00 0.00 C ATOM 433 O VAL A 29 -20.117 10.948 17.234 1.00 0.00 O ATOM 434 CB VAL A 29 -18.379 8.859 18.627 1.00 0.00 C ATOM 435 CG1 VAL A 29 -18.161 10.100 19.503 1.00 0.00 C ATOM 436 CG2 VAL A 29 -19.558 8.012 19.114 1.00 0.00 C ATOM 0 H VAL A 29 -16.392 9.293 17.179 1.00 0.00 H new ATOM 0 HA VAL A 29 -18.652 8.210 16.598 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.471 8.269 18.747 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.109 9.802 20.550 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.229 10.587 19.218 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.990 10.794 19.364 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.456 7.827 20.183 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -20.491 8.544 18.925 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.568 7.061 18.581 1.00 0.00 H new ATOM 446 N SER A 30 -20.257 9.458 15.539 1.00 0.00 N ATOM 447 CA SER A 30 -21.392 10.103 14.837 1.00 0.00 C ATOM 448 C SER A 30 -22.326 9.160 14.061 1.00 0.00 C ATOM 449 O SER A 30 -23.543 9.297 14.147 1.00 0.00 O ATOM 450 CB SER A 30 -20.890 11.210 13.899 1.00 0.00 C ATOM 451 OG SER A 30 -19.838 10.719 13.058 1.00 0.00 O ATOM 0 H SER A 30 -19.924 8.610 15.081 1.00 0.00 H new ATOM 0 HA SER A 30 -22.001 10.514 15.642 1.00 0.00 H new ATOM 0 HB2 SER A 30 -21.713 11.575 13.285 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.530 12.055 14.485 1.00 0.00 H new ATOM 0 HG SER A 30 -18.978 10.825 13.515 1.00 0.00 H new ATOM 457 N GLY A 31 -21.732 8.278 13.242 1.00 0.00 N ATOM 458 CA GLY A 31 -22.494 7.254 12.491 1.00 0.00 C ATOM 459 C GLY A 31 -22.207 7.322 10.986 1.00 0.00 C ATOM 460 O GLY A 31 -22.519 8.320 10.343 1.00 0.00 O ATOM 0 H GLY A 31 -20.725 8.249 13.079 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.238 6.263 12.866 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -23.561 7.395 12.665 1.00 0.00 H new ATOM 464 N ILE A 32 -21.673 6.234 10.437 1.00 0.00 N ATOM 465 CA ILE A 32 -21.215 6.204 9.028 1.00 0.00 C ATOM 466 C ILE A 32 -21.913 5.125 8.189 1.00 0.00 C ATOM 467 O ILE A 32 -22.395 4.119 8.705 1.00 0.00 O ATOM 468 CB ILE A 32 -19.678 6.120 8.861 1.00 0.00 C ATOM 469 CG1 ILE A 32 -19.030 4.830 9.382 1.00 0.00 C ATOM 470 CG2 ILE A 32 -18.979 7.348 9.453 1.00 0.00 C ATOM 471 CD1 ILE A 32 -18.843 3.771 8.292 1.00 0.00 C ATOM 0 H ILE A 32 -21.542 5.355 10.937 1.00 0.00 H new ATOM 0 HA ILE A 32 -21.517 7.176 8.637 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.530 6.100 7.781 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -18.060 5.068 9.819 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.647 4.417 10.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -17.902 7.254 9.317 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -19.331 8.247 8.947 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.206 7.418 10.517 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -18.380 2.883 8.723 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -19.813 3.507 7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -18.202 4.168 7.505 1.00 0.00 H new ATOM 483 N GLY A 33 -21.879 5.360 6.873 1.00 0.00 N ATOM 484 CA GLY A 33 -22.431 4.421 5.879 1.00 0.00 C ATOM 485 C GLY A 33 -21.418 3.352 5.448 1.00 0.00 C ATOM 486 O GLY A 33 -20.220 3.608 5.383 1.00 0.00 O ATOM 0 H GLY A 33 -21.471 6.201 6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.312 3.934 6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.760 4.979 5.002 1.00 0.00 H new ATOM 490 N ILE A 34 -21.951 2.201 5.051 1.00 0.00 N ATOM 491 CA ILE A 34 -21.196 1.121 4.361 1.00 0.00 C ATOM 492 C ILE A 34 -20.377 1.648 3.159 1.00 0.00 C ATOM 493 O ILE A 34 -19.224 1.274 2.958 1.00 0.00 O ATOM 494 CB ILE A 34 -22.222 0.031 3.978 1.00 0.00 C ATOM 495 CG1 ILE A 34 -22.831 -0.622 5.233 1.00 0.00 C ATOM 496 CG2 ILE A 34 -21.744 -0.999 2.944 1.00 0.00 C ATOM 497 CD1 ILE A 34 -21.870 -1.321 6.205 1.00 0.00 C ATOM 0 H ILE A 34 -22.935 1.973 5.195 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.440 0.696 5.021 1.00 0.00 H new ATOM 0 HB ILE A 34 -23.012 0.562 3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.368 0.149 5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -23.570 -1.353 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -22.542 -1.716 2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -21.480 -0.489 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.871 -1.524 3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.435 -1.734 7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.349 -2.125 5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.143 -0.600 6.579 1.00 0.00 H new ATOM 509 N LEU A 35 -21.000 2.567 2.421 1.00 0.00 N ATOM 510 CA LEU A 35 -20.373 3.396 1.371 1.00 0.00 C ATOM 511 C LEU A 35 -19.080 4.103 1.826 1.00 0.00 C ATOM 512 O LEU A 35 -18.082 4.027 1.117 1.00 0.00 O ATOM 513 CB LEU A 35 -21.413 4.440 0.937 1.00 0.00 C ATOM 514 CG LEU A 35 -20.925 5.469 -0.095 1.00 0.00 C ATOM 515 CD1 LEU A 35 -20.732 4.843 -1.479 1.00 0.00 C ATOM 516 CD2 LEU A 35 -21.893 6.652 -0.147 1.00 0.00 C ATOM 0 H LEU A 35 -21.993 2.768 2.536 1.00 0.00 H new ATOM 0 HA LEU A 35 -20.075 2.742 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -22.276 3.918 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -21.758 4.974 1.822 1.00 0.00 H new ATOM 0 HG LEU A 35 -19.947 5.831 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -20.387 5.605 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -19.992 4.045 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -21.680 4.433 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -21.541 7.378 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -22.884 6.299 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -21.944 7.124 0.834 1.00 0.00 H new ATOM 528 N ASP A 36 -19.053 4.496 3.102 1.00 0.00 N ATOM 529 CA ASP A 36 -18.064 5.395 3.725 1.00 0.00 C ATOM 530 C ASP A 36 -18.039 6.797 3.102 1.00 0.00 C ATOM 531 O ASP A 36 -18.456 7.002 1.964 1.00 0.00 O ATOM 532 CB ASP A 36 -16.655 4.779 3.735 1.00 0.00 C ATOM 533 CG ASP A 36 -16.560 3.587 4.690 1.00 0.00 C ATOM 534 OD1 ASP A 36 -16.830 2.455 4.230 1.00 0.00 O ATOM 535 OD2 ASP A 36 -16.295 3.845 5.883 1.00 0.00 O ATOM 0 H ASP A 36 -19.757 4.181 3.769 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.393 5.516 4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.392 4.458 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -15.929 5.538 4.028 1.00 0.00 H new ATOM 540 N ASN A 37 -17.685 7.766 3.941 1.00 0.00 N ATOM 541 CA ASN A 37 -17.385 9.145 3.500 1.00 0.00 C ATOM 542 C ASN A 37 -16.258 9.225 2.446 1.00 0.00 C ATOM 543 O ASN A 37 -16.091 10.268 1.819 1.00 0.00 O ATOM 544 CB ASN A 37 -17.045 9.981 4.742 1.00 0.00 C ATOM 545 CG ASN A 37 -16.639 11.420 4.407 1.00 0.00 C ATOM 546 OD1 ASN A 37 -15.474 11.726 4.201 1.00 0.00 O ATOM 547 ND2 ASN A 37 -17.569 12.344 4.462 1.00 0.00 N ATOM 0 H ASN A 37 -17.595 7.628 4.948 1.00 0.00 H new ATOM 0 HA ASN A 37 -18.268 9.542 2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -17.908 9.999 5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.233 9.498 5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.322 13.325 4.332 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -18.539 12.081 4.634 1.00 0.00 H new ATOM 554 N PHE A 38 -15.414 8.190 2.401 1.00 0.00 N ATOM 555 CA PHE A 38 -14.242 8.027 1.508 1.00 0.00 C ATOM 556 C PHE A 38 -13.110 9.073 1.601 1.00 0.00 C ATOM 557 O PHE A 38 -12.041 8.891 1.024 1.00 0.00 O ATOM 558 CB PHE A 38 -14.648 7.713 0.054 1.00 0.00 C ATOM 559 CG PHE A 38 -15.534 8.753 -0.639 1.00 0.00 C ATOM 560 CD1 PHE A 38 -14.962 9.887 -1.201 1.00 0.00 C ATOM 561 CD2 PHE A 38 -16.915 8.593 -0.642 1.00 0.00 C ATOM 562 CE1 PHE A 38 -15.772 10.870 -1.753 1.00 0.00 C ATOM 563 CE2 PHE A 38 -17.725 9.577 -1.189 1.00 0.00 C ATOM 564 CZ PHE A 38 -17.155 10.718 -1.742 1.00 0.00 C ATOM 0 H PHE A 38 -15.530 7.389 3.022 1.00 0.00 H new ATOM 0 HA PHE A 38 -13.758 7.147 1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.740 7.588 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -15.170 6.756 0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -13.888 10.004 -1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.357 7.703 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.329 11.752 -2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.798 9.457 -1.185 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.786 11.487 -2.163 1.00 0.00 H new ATOM 574 N PHE A 39 -13.355 10.128 2.375 1.00 0.00 N ATOM 575 CA PHE A 39 -12.360 11.160 2.716 1.00 0.00 C ATOM 576 C PHE A 39 -11.932 11.093 4.199 1.00 0.00 C ATOM 577 O PHE A 39 -10.896 10.510 4.523 1.00 0.00 O ATOM 578 CB PHE A 39 -12.964 12.507 2.299 1.00 0.00 C ATOM 579 CG PHE A 39 -12.068 13.714 2.573 1.00 0.00 C ATOM 580 CD1 PHE A 39 -11.060 14.046 1.678 1.00 0.00 C ATOM 581 CD2 PHE A 39 -12.392 14.581 3.610 1.00 0.00 C ATOM 582 CE1 PHE A 39 -10.387 15.256 1.806 1.00 0.00 C ATOM 583 CE2 PHE A 39 -11.719 15.791 3.739 1.00 0.00 C ATOM 584 CZ PHE A 39 -10.720 16.129 2.835 1.00 0.00 C ATOM 0 H PHE A 39 -14.269 10.299 2.795 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.426 11.001 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.193 12.474 1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.909 12.645 2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.799 13.364 0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -13.166 14.315 4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -9.606 15.517 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.973 16.468 4.542 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.201 17.071 2.932 1.00 0.00 H new ATOM 594 N GLN A 40 -12.824 11.495 5.106 1.00 0.00 N ATOM 595 CA GLN A 40 -12.550 11.559 6.563 1.00 0.00 C ATOM 596 C GLN A 40 -12.465 10.204 7.305 1.00 0.00 C ATOM 597 O GLN A 40 -12.311 10.182 8.525 1.00 0.00 O ATOM 598 CB GLN A 40 -13.569 12.496 7.241 1.00 0.00 C ATOM 599 CG GLN A 40 -14.992 11.927 7.292 1.00 0.00 C ATOM 600 CD GLN A 40 -16.044 12.918 7.798 1.00 0.00 C ATOM 601 OE1 GLN A 40 -17.123 13.051 7.057 1.00 0.00 O flip ATOM 602 NE2 GLN A 40 -15.937 13.543 8.843 1.00 0.00 N flip ATOM 0 H GLN A 40 -13.769 11.790 4.859 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.538 11.957 6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.235 12.707 8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.586 13.446 6.707 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.274 11.593 6.294 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.997 11.048 7.936 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.100 13.439 9.416 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.685 14.169 9.142 1.00 0.00 H new ATOM 611 N ILE A 41 -12.401 9.100 6.561 1.00 0.00 N ATOM 612 CA ILE A 41 -12.415 7.738 7.148 1.00 0.00 C ATOM 613 C ILE A 41 -11.125 7.405 7.922 1.00 0.00 C ATOM 614 O ILE A 41 -11.184 6.897 9.040 1.00 0.00 O ATOM 615 CB ILE A 41 -12.837 6.619 6.162 1.00 0.00 C ATOM 616 CG1 ILE A 41 -11.848 6.239 5.040 1.00 0.00 C ATOM 617 CG2 ILE A 41 -14.259 6.871 5.648 1.00 0.00 C ATOM 618 CD1 ILE A 41 -11.377 7.344 4.086 1.00 0.00 C ATOM 0 H ILE A 41 -12.338 9.111 5.543 1.00 0.00 H new ATOM 0 HA ILE A 41 -13.216 7.766 7.887 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.816 5.712 6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.965 5.804 5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.310 5.455 4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.542 6.077 4.957 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.953 6.884 6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.295 7.831 5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.687 6.923 3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.237 7.771 3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.871 8.124 4.655 1.00 0.00 H new ATOM 630 N GLY A 42 -9.985 7.620 7.249 1.00 0.00 N ATOM 631 CA GLY A 42 -8.664 7.625 7.907 1.00 0.00 C ATOM 632 C GLY A 42 -7.743 8.787 7.486 1.00 0.00 C ATOM 633 O GLY A 42 -6.572 8.800 7.865 1.00 0.00 O ATOM 0 H GLY A 42 -9.949 7.794 6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.810 7.667 8.986 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.161 6.683 7.690 1.00 0.00 H new ATOM 637 N GLY A 43 -8.330 9.805 6.836 1.00 0.00 N ATOM 638 CA GLY A 43 -7.597 10.992 6.348 1.00 0.00 C ATOM 639 C GLY A 43 -7.467 12.065 7.438 1.00 0.00 C ATOM 640 O GLY A 43 -8.126 13.100 7.384 1.00 0.00 O ATOM 0 H GLY A 43 -9.329 9.831 6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.604 10.694 6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.115 11.410 5.485 1.00 0.00 H new ATOM 644 N HIS A 44 -6.776 11.667 8.501 1.00 0.00 N ATOM 645 CA HIS A 44 -6.474 12.516 9.672 1.00 0.00 C ATOM 646 C HIS A 44 -4.943 12.517 9.895 1.00 0.00 C ATOM 647 O HIS A 44 -4.190 12.768 8.959 1.00 0.00 O ATOM 648 CB HIS A 44 -7.253 12.014 10.904 1.00 0.00 C ATOM 649 CG HIS A 44 -8.787 12.078 10.891 1.00 0.00 C ATOM 650 ND1 HIS A 44 -9.512 12.417 11.951 1.00 0.00 N ATOM 651 CD2 HIS A 44 -9.618 11.544 9.999 1.00 0.00 C ATOM 652 CE1 HIS A 44 -10.786 12.101 11.715 1.00 0.00 C ATOM 653 NE2 HIS A 44 -10.847 11.552 10.507 1.00 0.00 N ATOM 0 H HIS A 44 -6.397 10.724 8.584 1.00 0.00 H new ATOM 0 HA HIS A 44 -6.794 13.544 9.500 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.968 10.975 11.073 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -6.907 12.583 11.767 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -9.341 11.167 9.026 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.618 12.262 12.385 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -11.688 11.199 10.050 1.00 0.00 H new ATOM 662 N SER A 45 -4.490 12.262 11.124 1.00 0.00 N ATOM 663 CA SER A 45 -3.061 12.066 11.449 1.00 0.00 C ATOM 664 C SER A 45 -2.767 10.596 11.818 1.00 0.00 C ATOM 665 O SER A 45 -2.615 9.753 10.934 1.00 0.00 O ATOM 666 CB SER A 45 -2.647 13.072 12.538 1.00 0.00 C ATOM 667 OG SER A 45 -3.483 12.939 13.697 1.00 0.00 O ATOM 0 H SER A 45 -5.104 12.183 11.935 1.00 0.00 H new ATOM 0 HA SER A 45 -2.448 12.267 10.570 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.605 12.908 12.814 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.717 14.087 12.148 1.00 0.00 H new ATOM 0 HG SER A 45 -2.930 12.723 14.477 1.00 0.00 H new ATOM 673 N LEU A 46 -2.955 10.263 13.095 1.00 0.00 N ATOM 674 CA LEU A 46 -2.756 8.919 13.685 1.00 0.00 C ATOM 675 C LEU A 46 -3.602 7.787 13.073 1.00 0.00 C ATOM 676 O LEU A 46 -3.269 6.609 13.200 1.00 0.00 O ATOM 677 CB LEU A 46 -2.961 9.004 15.206 1.00 0.00 C ATOM 678 CG LEU A 46 -4.364 9.466 15.624 1.00 0.00 C ATOM 679 CD1 LEU A 46 -5.227 8.279 16.065 1.00 0.00 C ATOM 680 CD2 LEU A 46 -4.270 10.529 16.720 1.00 0.00 C ATOM 0 H LEU A 46 -3.264 10.947 13.786 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.732 8.634 13.442 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.767 8.025 15.643 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.225 9.691 15.623 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.851 9.916 14.759 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.215 8.636 16.356 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.324 7.573 15.240 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.757 7.783 16.914 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.273 10.847 17.006 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.760 10.112 17.588 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.710 11.387 16.348 1.00 0.00 H new ATOM 692 N LYS A 47 -4.675 8.164 12.380 1.00 0.00 N ATOM 693 CA LYS A 47 -5.618 7.226 11.739 1.00 0.00 C ATOM 694 C LYS A 47 -4.974 6.243 10.753 1.00 0.00 C ATOM 695 O LYS A 47 -5.267 5.054 10.834 1.00 0.00 O ATOM 696 CB LYS A 47 -6.763 7.982 11.065 1.00 0.00 C ATOM 697 CG LYS A 47 -7.641 8.720 12.079 1.00 0.00 C ATOM 698 CD LYS A 47 -8.372 7.774 13.034 1.00 0.00 C ATOM 699 CE LYS A 47 -9.100 8.545 14.137 1.00 0.00 C ATOM 700 NZ LYS A 47 -10.173 9.399 13.607 1.00 0.00 N ATOM 0 H LYS A 47 -4.925 9.143 12.241 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.006 6.613 12.553 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.354 8.697 10.352 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.376 7.281 10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.021 9.405 12.658 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.373 9.326 11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.089 7.173 12.475 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.657 7.083 13.482 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.521 7.839 14.853 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.383 9.161 14.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.931 10.398 13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.284 9.225 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.065 9.179 14.095 1.00 0.00 H new ATOM 714 N ALA A 48 -3.961 6.691 10.008 1.00 0.00 N ATOM 715 CA ALA A 48 -3.155 5.802 9.141 1.00 0.00 C ATOM 716 C ALA A 48 -2.546 4.618 9.922 1.00 0.00 C ATOM 717 O ALA A 48 -2.778 3.465 9.560 1.00 0.00 O ATOM 718 CB ALA A 48 -2.056 6.612 8.448 1.00 0.00 C ATOM 0 H ALA A 48 -3.671 7.669 9.982 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.822 5.376 8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.465 5.954 7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.509 7.394 7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.410 7.065 9.199 1.00 0.00 H new ATOM 724 N MET A 49 -2.027 4.922 11.114 1.00 0.00 N ATOM 725 CA MET A 49 -1.489 3.938 12.079 1.00 0.00 C ATOM 726 C MET A 49 -2.585 3.030 12.667 1.00 0.00 C ATOM 727 O MET A 49 -2.475 1.808 12.604 1.00 0.00 O ATOM 728 CB MET A 49 -0.758 4.655 13.223 1.00 0.00 C ATOM 729 CG MET A 49 0.486 5.443 12.790 1.00 0.00 C ATOM 730 SD MET A 49 1.906 4.404 12.281 1.00 0.00 S ATOM 731 CE MET A 49 1.692 4.346 10.514 1.00 0.00 C ATOM 0 H MET A 49 -1.964 5.883 11.451 1.00 0.00 H new ATOM 0 HA MET A 49 -0.792 3.307 11.527 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.454 5.338 13.710 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.463 3.916 13.968 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.216 6.097 11.961 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.799 6.085 13.614 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.917 3.342 10.153 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.662 4.599 10.264 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.366 5.061 10.042 1.00 0.00 H new ATOM 741 N ALA A 50 -3.681 3.643 13.120 1.00 0.00 N ATOM 742 CA ALA A 50 -4.863 2.929 13.657 1.00 0.00 C ATOM 743 C ALA A 50 -5.494 1.949 12.650 1.00 0.00 C ATOM 744 O ALA A 50 -5.870 0.827 12.998 1.00 0.00 O ATOM 745 CB ALA A 50 -5.902 3.955 14.121 1.00 0.00 C ATOM 0 H ALA A 50 -3.783 4.658 13.128 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.522 2.323 14.496 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.774 3.436 14.517 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.470 4.584 14.899 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.202 4.576 13.277 1.00 0.00 H new ATOM 751 N VAL A 51 -5.585 2.383 11.394 1.00 0.00 N ATOM 752 CA VAL A 51 -6.019 1.547 10.257 1.00 0.00 C ATOM 753 C VAL A 51 -4.989 0.434 9.991 1.00 0.00 C ATOM 754 O VAL A 51 -5.349 -0.737 10.058 1.00 0.00 O ATOM 755 CB VAL A 51 -6.308 2.419 9.016 1.00 0.00 C ATOM 756 CG1 VAL A 51 -6.710 1.591 7.790 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.445 3.404 9.308 1.00 0.00 C ATOM 0 H VAL A 51 -5.357 3.340 11.125 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.958 1.053 10.507 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.379 2.944 8.795 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.901 2.257 6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.903 0.904 7.534 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.612 1.022 8.015 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.636 4.011 8.423 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.347 2.851 9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.162 4.051 10.138 1.00 0.00 H new ATOM 767 N ALA A 52 -3.708 0.798 9.900 1.00 0.00 N ATOM 768 CA ALA A 52 -2.594 -0.161 9.722 1.00 0.00 C ATOM 769 C ALA A 52 -2.579 -1.280 10.779 1.00 0.00 C ATOM 770 O ALA A 52 -2.491 -2.451 10.419 1.00 0.00 O ATOM 771 CB ALA A 52 -1.251 0.575 9.741 1.00 0.00 C ATOM 0 H ALA A 52 -3.403 1.770 9.947 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.753 -0.635 8.754 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.441 -0.142 9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.225 1.305 8.932 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.130 1.087 10.696 1.00 0.00 H new ATOM 777 N ALA A 53 -2.846 -0.918 12.033 1.00 0.00 N ATOM 778 CA ALA A 53 -3.014 -1.864 13.157 1.00 0.00 C ATOM 779 C ALA A 53 -4.105 -2.920 12.878 1.00 0.00 C ATOM 780 O ALA A 53 -3.791 -4.104 12.760 1.00 0.00 O ATOM 781 CB ALA A 53 -3.321 -1.077 14.434 1.00 0.00 C ATOM 0 H ALA A 53 -2.955 0.057 12.311 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.082 -2.416 13.282 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.446 -1.769 15.267 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.497 -0.396 14.649 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.239 -0.505 14.297 1.00 0.00 H new ATOM 787 N GLN A 54 -5.306 -2.447 12.544 1.00 0.00 N ATOM 788 CA GLN A 54 -6.452 -3.292 12.128 1.00 0.00 C ATOM 789 C GLN A 54 -6.146 -4.146 10.886 1.00 0.00 C ATOM 790 O GLN A 54 -6.406 -5.350 10.861 1.00 0.00 O ATOM 791 CB GLN A 54 -7.664 -2.408 11.820 1.00 0.00 C ATOM 792 CG GLN A 54 -8.244 -1.728 13.063 1.00 0.00 C ATOM 793 CD GLN A 54 -9.289 -0.687 12.656 1.00 0.00 C ATOM 794 OE1 GLN A 54 -10.423 -0.987 12.310 1.00 0.00 O ATOM 795 NE2 GLN A 54 -8.878 0.558 12.603 1.00 0.00 N ATOM 0 H GLN A 54 -5.525 -1.451 12.551 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.657 -3.967 12.959 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.375 -1.645 11.097 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.438 -3.015 11.351 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.698 -2.473 13.716 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.446 -1.250 13.631 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.930 0.795 12.895 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.507 1.289 12.270 1.00 0.00 H new ATOM 804 N VAL A 55 -5.504 -3.514 9.908 1.00 0.00 N ATOM 805 CA VAL A 55 -5.091 -4.134 8.631 1.00 0.00 C ATOM 806 C VAL A 55 -3.973 -5.193 8.796 1.00 0.00 C ATOM 807 O VAL A 55 -3.837 -6.096 7.971 1.00 0.00 O ATOM 808 CB VAL A 55 -4.802 -3.032 7.586 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.433 -3.592 6.212 1.00 0.00 C ATOM 810 CG2 VAL A 55 -6.043 -2.161 7.357 1.00 0.00 C ATOM 0 H VAL A 55 -5.245 -2.530 9.973 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.921 -4.725 8.243 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.966 -2.466 7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.242 -2.769 5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.538 -4.208 6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.256 -4.199 5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.817 -1.392 6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.862 -2.783 6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.334 -1.688 8.295 1.00 0.00 H new ATOM 820 N HIS A 56 -3.177 -5.069 9.851 1.00 0.00 N ATOM 821 CA HIS A 56 -2.179 -6.087 10.231 1.00 0.00 C ATOM 822 C HIS A 56 -2.740 -7.231 11.100 1.00 0.00 C ATOM 823 O HIS A 56 -2.222 -8.342 11.050 1.00 0.00 O ATOM 824 CB HIS A 56 -0.997 -5.382 10.910 1.00 0.00 C ATOM 825 CG HIS A 56 0.315 -6.181 10.919 1.00 0.00 C ATOM 826 ND1 HIS A 56 1.335 -5.951 11.745 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.732 -7.057 10.006 1.00 0.00 C ATOM 828 CE1 HIS A 56 2.379 -6.664 11.328 1.00 0.00 C ATOM 829 NE2 HIS A 56 2.007 -7.341 10.248 1.00 0.00 N ATOM 0 H HIS A 56 -3.198 -4.262 10.474 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.850 -6.584 9.318 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.823 -4.431 10.407 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.273 -5.152 11.939 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.135 -7.467 9.205 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.356 -6.688 11.787 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.596 -7.968 9.701 1.00 0.00 H new ATOM 838 N ARG A 57 -3.803 -6.965 11.862 1.00 0.00 N ATOM 839 CA ARG A 57 -4.415 -7.982 12.753 1.00 0.00 C ATOM 840 C ARG A 57 -5.651 -8.722 12.201 1.00 0.00 C ATOM 841 O ARG A 57 -5.631 -9.942 12.071 1.00 0.00 O ATOM 842 CB ARG A 57 -4.660 -7.398 14.155 1.00 0.00 C ATOM 843 CG ARG A 57 -5.667 -6.239 14.211 1.00 0.00 C ATOM 844 CD ARG A 57 -5.677 -5.532 15.566 1.00 0.00 C ATOM 845 NE ARG A 57 -4.410 -4.802 15.750 1.00 0.00 N ATOM 846 CZ ARG A 57 -4.042 -4.101 16.825 1.00 0.00 C ATOM 847 NH1 ARG A 57 -4.801 -4.011 17.909 1.00 0.00 N ATOM 848 NH2 ARG A 57 -2.858 -3.511 16.848 1.00 0.00 N ATOM 0 H ARG A 57 -4.266 -6.057 11.888 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.671 -8.776 12.817 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.012 -8.197 14.808 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.709 -7.052 14.559 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.427 -5.517 13.431 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.666 -6.620 13.997 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.518 -4.841 15.621 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.809 -6.260 16.367 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.746 -4.836 14.976 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.702 -4.488 17.942 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.484 -3.465 18.710 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.232 -3.593 16.047 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.572 -2.974 17.667 1.00 0.00 H new ATOM 862 N GLU A 58 -6.678 -7.967 11.813 1.00 0.00 N ATOM 863 CA GLU A 58 -7.961 -8.493 11.298 1.00 0.00 C ATOM 864 C GLU A 58 -7.941 -8.691 9.771 1.00 0.00 C ATOM 865 O GLU A 58 -8.724 -9.477 9.245 1.00 0.00 O ATOM 866 CB GLU A 58 -9.078 -7.534 11.744 1.00 0.00 C ATOM 867 CG GLU A 58 -10.515 -8.030 11.511 1.00 0.00 C ATOM 868 CD GLU A 58 -11.053 -7.831 10.086 1.00 0.00 C ATOM 869 OE1 GLU A 58 -10.770 -6.755 9.511 1.00 0.00 O ATOM 870 OE2 GLU A 58 -11.866 -8.680 9.661 1.00 0.00 O ATOM 0 H GLU A 58 -6.650 -6.948 11.845 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.141 -9.486 11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.952 -7.328 12.807 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.950 -6.587 11.219 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.560 -9.092 11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.177 -7.515 12.207 1.00 0.00 H new ATOM 877 N TYR A 59 -7.189 -7.833 9.082 1.00 0.00 N ATOM 878 CA TYR A 59 -6.992 -7.940 7.623 1.00 0.00 C ATOM 879 C TYR A 59 -5.847 -8.885 7.216 1.00 0.00 C ATOM 880 O TYR A 59 -5.850 -9.403 6.103 1.00 0.00 O ATOM 881 CB TYR A 59 -6.742 -6.566 6.991 1.00 0.00 C ATOM 882 CG TYR A 59 -7.905 -5.564 6.967 1.00 0.00 C ATOM 883 CD1 TYR A 59 -8.615 -5.215 8.112 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.166 -4.889 5.780 1.00 0.00 C ATOM 885 CE1 TYR A 59 -9.580 -4.220 8.068 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.124 -3.885 5.730 1.00 0.00 C ATOM 887 CZ TYR A 59 -9.835 -3.553 6.876 1.00 0.00 C ATOM 888 OH TYR A 59 -10.770 -2.569 6.850 1.00 0.00 O ATOM 0 H TYR A 59 -6.699 -7.047 9.509 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.922 -8.367 7.248 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.911 -6.101 7.520 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.416 -6.725 5.963 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.413 -5.724 9.043 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.617 -5.148 4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.133 -3.964 8.960 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.316 -3.364 4.803 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.392 -1.770 6.427 1.00 0.00 H new ATOM 898 N GLN A 60 -4.805 -8.933 8.053 1.00 0.00 N ATOM 899 CA GLN A 60 -3.547 -9.707 7.881 1.00 0.00 C ATOM 900 C GLN A 60 -2.702 -9.431 6.617 1.00 0.00 C ATOM 901 O GLN A 60 -1.598 -9.950 6.475 1.00 0.00 O ATOM 902 CB GLN A 60 -3.800 -11.211 8.062 1.00 0.00 C ATOM 903 CG GLN A 60 -4.268 -11.517 9.491 1.00 0.00 C ATOM 904 CD GLN A 60 -4.412 -13.010 9.800 1.00 0.00 C ATOM 905 OE1 GLN A 60 -4.793 -13.848 8.996 1.00 0.00 O ATOM 906 NE2 GLN A 60 -4.187 -13.353 11.049 1.00 0.00 N ATOM 0 H GLN A 60 -4.806 -8.404 8.925 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.913 -9.324 8.680 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.553 -11.546 7.348 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.887 -11.766 7.847 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.560 -11.079 10.194 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.228 -11.029 9.659 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.869 -12.654 11.720 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.330 -14.318 11.347 1.00 0.00 H new ATOM 915 N VAL A 61 -3.149 -8.457 5.825 1.00 0.00 N ATOM 916 CA VAL A 61 -2.514 -8.060 4.546 1.00 0.00 C ATOM 917 C VAL A 61 -1.859 -6.651 4.547 1.00 0.00 C ATOM 918 O VAL A 61 -1.449 -6.137 3.510 1.00 0.00 O ATOM 919 CB VAL A 61 -3.577 -8.303 3.447 1.00 0.00 C ATOM 920 CG1 VAL A 61 -4.808 -7.392 3.553 1.00 0.00 C ATOM 921 CG2 VAL A 61 -2.994 -8.324 2.030 1.00 0.00 C ATOM 0 H VAL A 61 -3.977 -7.905 6.049 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.633 -8.672 4.351 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.940 -9.311 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.504 -7.626 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.298 -7.552 4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.498 -6.350 3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.794 -8.499 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.518 -7.367 1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.255 -9.122 1.952 1.00 0.00 H new ATOM 931 N GLU A 62 -1.740 -6.062 5.739 1.00 0.00 N ATOM 932 CA GLU A 62 -1.054 -4.785 6.064 1.00 0.00 C ATOM 933 C GLU A 62 -0.700 -3.826 4.896 1.00 0.00 C ATOM 934 O GLU A 62 0.445 -3.703 4.469 1.00 0.00 O ATOM 935 CB GLU A 62 0.186 -5.156 6.896 1.00 0.00 C ATOM 936 CG GLU A 62 0.866 -3.955 7.564 1.00 0.00 C ATOM 937 CD GLU A 62 2.187 -4.325 8.246 1.00 0.00 C ATOM 938 OE1 GLU A 62 3.078 -4.859 7.550 1.00 0.00 O ATOM 939 OE2 GLU A 62 2.323 -3.927 9.424 1.00 0.00 O ATOM 0 H GLU A 62 -2.147 -6.487 6.572 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.776 -4.176 6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.105 -5.871 7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.908 -5.658 6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.052 -3.186 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.189 -3.524 8.302 1.00 0.00 H new ATOM 946 N LEU A 63 -1.705 -3.058 4.474 1.00 0.00 N ATOM 947 CA LEU A 63 -1.516 -1.999 3.457 1.00 0.00 C ATOM 948 C LEU A 63 -2.063 -0.606 3.865 1.00 0.00 C ATOM 949 O LEU A 63 -3.106 -0.166 3.367 1.00 0.00 O ATOM 950 CB LEU A 63 -1.972 -2.476 2.062 1.00 0.00 C ATOM 951 CG LEU A 63 -3.465 -2.768 1.832 1.00 0.00 C ATOM 952 CD1 LEU A 63 -3.746 -2.879 0.334 1.00 0.00 C ATOM 953 CD2 LEU A 63 -3.916 -4.074 2.479 1.00 0.00 C ATOM 0 H LEU A 63 -2.663 -3.142 4.815 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.442 -1.824 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.668 -1.720 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.417 -3.384 1.826 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.013 -1.943 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.805 -3.086 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.483 -1.942 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.151 -3.689 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.977 -4.229 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.346 -4.903 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.748 -4.024 3.555 1.00 0.00 H new ATOM 965 N PRO A 64 -1.330 0.129 4.725 1.00 0.00 N ATOM 966 CA PRO A 64 -1.741 1.468 5.208 1.00 0.00 C ATOM 967 C PRO A 64 -1.796 2.496 4.072 1.00 0.00 C ATOM 968 O PRO A 64 -1.009 2.427 3.132 1.00 0.00 O ATOM 969 CB PRO A 64 -0.699 1.849 6.262 1.00 0.00 C ATOM 970 CG PRO A 64 0.553 1.093 5.821 1.00 0.00 C ATOM 971 CD PRO A 64 0.001 -0.219 5.261 1.00 0.00 C ATOM 0 HA PRO A 64 -2.749 1.451 5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.529 2.925 6.287 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.014 1.553 7.263 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.112 1.647 5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.231 0.919 6.656 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.649 -0.620 4.481 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.072 -0.981 6.037 1.00 0.00 H new ATOM 979 N LEU A 65 -2.753 3.418 4.201 1.00 0.00 N ATOM 980 CA LEU A 65 -3.190 4.425 3.199 1.00 0.00 C ATOM 981 C LEU A 65 -3.696 3.862 1.857 1.00 0.00 C ATOM 982 O LEU A 65 -4.778 4.226 1.415 1.00 0.00 O ATOM 983 CB LEU A 65 -2.206 5.599 3.022 1.00 0.00 C ATOM 984 CG LEU A 65 -0.901 5.328 2.259 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.059 5.574 0.755 1.00 0.00 C ATOM 986 CD2 LEU A 65 0.227 6.185 2.833 1.00 0.00 C ATOM 0 H LEU A 65 -3.288 3.496 5.066 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.085 4.842 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.733 6.404 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.944 5.970 4.013 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.649 4.275 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.114 5.371 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.830 4.915 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.345 6.612 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.149 5.987 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.032 7.239 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.370 5.941 3.886 1.00 0.00 H new ATOM 998 N LYS A 66 -3.029 2.820 1.372 1.00 0.00 N ATOM 999 CA LYS A 66 -3.348 2.048 0.157 1.00 0.00 C ATOM 1000 C LYS A 66 -4.815 1.567 0.191 1.00 0.00 C ATOM 1001 O LYS A 66 -5.671 2.252 -0.368 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.303 0.928 0.150 1.00 0.00 C ATOM 1003 CG LYS A 66 -2.066 0.213 -1.181 1.00 0.00 C ATOM 1004 CD LYS A 66 -0.847 -0.690 -0.977 1.00 0.00 C ATOM 1005 CE LYS A 66 -0.554 -1.617 -2.158 1.00 0.00 C ATOM 1006 NZ LYS A 66 0.568 -2.504 -1.817 1.00 0.00 N ATOM 0 H LYS A 66 -2.197 2.462 1.841 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.291 2.619 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.354 1.347 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.599 0.182 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.939 -0.373 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.887 0.931 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.028 -0.066 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.001 -1.295 -0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.438 -2.207 -2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.311 -1.030 -3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.768 -3.135 -2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.411 -1.932 -1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.319 -3.073 -0.983 1.00 0.00 H new ATOM 1020 N VAL A 67 -5.118 0.683 1.149 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.489 0.176 1.407 1.00 0.00 C ATOM 1022 C VAL A 67 -7.516 1.259 1.824 1.00 0.00 C ATOM 1023 O VAL A 67 -8.696 1.178 1.500 1.00 0.00 O ATOM 1024 CB VAL A 67 -6.404 -1.001 2.403 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -6.263 -0.595 3.877 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -7.525 -2.018 2.181 1.00 0.00 C ATOM 0 H VAL A 67 -4.418 0.290 1.778 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.893 -0.180 0.460 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.459 -1.492 2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.211 -1.490 4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.353 -0.010 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.125 0.003 4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.428 -2.829 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.491 -1.530 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.456 -2.421 1.170 1.00 0.00 H new ATOM 1036 N LEU A 68 -6.976 2.361 2.335 1.00 0.00 N ATOM 1037 CA LEU A 68 -7.702 3.422 3.061 1.00 0.00 C ATOM 1038 C LEU A 68 -8.137 4.626 2.199 1.00 0.00 C ATOM 1039 O LEU A 68 -8.980 5.409 2.629 1.00 0.00 O ATOM 1040 CB LEU A 68 -6.778 3.848 4.211 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.317 4.933 5.149 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -8.551 4.451 5.917 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.202 5.381 6.096 1.00 0.00 C ATOM 0 H LEU A 68 -5.978 2.557 2.256 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.654 3.025 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.545 2.966 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.840 4.201 3.783 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.639 5.788 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.906 5.247 6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.338 4.185 5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.289 3.578 6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.581 6.153 6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.859 4.529 6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.370 5.781 5.516 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.394 4.869 1.125 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.665 5.944 0.149 1.00 0.00 C ATOM 1057 C PHE A 69 -8.026 5.426 -1.253 1.00 0.00 C ATOM 1058 O PHE A 69 -8.906 5.990 -1.899 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.447 6.871 0.063 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.302 7.793 1.279 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -5.714 7.338 2.455 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -6.678 9.126 1.167 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -5.481 8.219 3.504 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -6.442 10.007 2.215 1.00 0.00 C ATOM 1065 CZ PHE A 69 -5.838 9.556 3.382 1.00 0.00 C ATOM 0 H PHE A 69 -6.567 4.318 0.894 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.539 6.485 0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.545 6.267 -0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.524 7.479 -0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.438 6.298 2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.154 9.478 0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.022 7.864 4.415 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.729 11.044 2.122 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.646 10.243 4.193 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.359 4.360 -1.706 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.654 3.727 -3.009 1.00 0.00 C ATOM 1077 C ALA A 70 -8.959 2.910 -2.988 1.00 0.00 C ATOM 1078 O ALA A 70 -9.749 2.975 -3.927 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.472 2.862 -3.457 1.00 0.00 C ATOM 0 H ALA A 70 -6.604 3.909 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.803 4.528 -3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.702 2.401 -4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.583 3.484 -3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.289 2.084 -2.716 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.136 2.110 -1.934 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.410 1.408 -1.678 1.00 0.00 C ATOM 1087 C GLN A 71 -11.060 1.742 -0.307 1.00 0.00 C ATOM 1088 O GLN A 71 -11.514 0.832 0.394 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.246 -0.100 -1.961 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.296 -0.910 -1.064 1.00 0.00 C ATOM 1091 CD GLN A 71 -7.820 -0.853 -1.466 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -7.190 0.186 -1.598 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -7.194 -2.003 -1.541 1.00 0.00 N ATOM 0 H GLN A 71 -8.414 1.927 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.148 1.793 -2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.233 -0.559 -1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.906 -0.210 -2.991 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.392 -0.549 -0.040 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.618 -1.951 -1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.713 -2.874 -1.432 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.188 -2.026 -1.708 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.375 3.031 -0.068 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.770 3.579 1.254 1.00 0.00 C ATOM 1104 C PRO A 72 -13.204 3.261 1.737 1.00 0.00 C ATOM 1105 O PRO A 72 -13.736 3.903 2.645 1.00 0.00 O ATOM 1106 CB PRO A 72 -11.590 5.085 1.068 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.017 5.319 -0.376 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.504 4.080 -1.102 1.00 0.00 C ATOM 0 HA PRO A 72 -11.163 3.121 2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.206 5.652 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.557 5.389 1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.099 5.417 -0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.580 6.232 -0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.195 3.772 -1.887 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.545 4.277 -1.581 1.00 0.00 H new ATOM 1116 N THR A 73 -13.755 2.172 1.221 1.00 0.00 N ATOM 1117 CA THR A 73 -15.147 1.748 1.461 1.00 0.00 C ATOM 1118 C THR A 73 -15.178 0.307 1.979 1.00 0.00 C ATOM 1119 O THR A 73 -14.507 -0.563 1.425 1.00 0.00 O ATOM 1120 CB THR A 73 -16.011 1.907 0.194 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.347 1.491 0.487 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.479 1.217 -1.068 1.00 0.00 C ATOM 0 H THR A 73 -13.244 1.537 0.608 1.00 0.00 H new ATOM 0 HA THR A 73 -15.576 2.398 2.224 1.00 0.00 H new ATOM 0 HB THR A 73 -15.977 2.966 -0.062 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.916 2.280 0.609 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.165 1.395 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.497 1.620 -1.317 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.396 0.145 -0.889 1.00 0.00 H new ATOM 1130 N ILE A 74 -16.042 0.057 2.961 1.00 0.00 N ATOM 1131 CA ILE A 74 -16.169 -1.273 3.588 1.00 0.00 C ATOM 1132 C ILE A 74 -16.582 -2.381 2.595 1.00 0.00 C ATOM 1133 O ILE A 74 -16.114 -3.509 2.717 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.992 -1.178 4.890 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -16.348 -1.973 6.041 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.487 -1.473 4.739 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -16.146 -3.484 5.853 1.00 0.00 C ATOM 0 H ILE A 74 -16.673 0.759 3.348 1.00 0.00 H new ATOM 0 HA ILE A 74 -15.181 -1.612 3.898 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.958 -0.122 5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.374 -1.530 6.248 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.960 -1.827 6.931 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.976 -1.380 5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.929 -0.763 4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.621 -2.486 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.683 -3.903 6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.111 -3.962 5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.500 -3.660 4.993 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.294 -1.997 1.533 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.593 -2.885 0.390 1.00 0.00 C ATOM 1151 C LYS A 75 -16.294 -3.469 -0.207 1.00 0.00 C ATOM 1152 O LYS A 75 -16.073 -4.679 -0.164 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.403 -2.070 -0.631 1.00 0.00 C ATOM 1154 CG LYS A 75 -18.733 -2.791 -1.947 1.00 0.00 C ATOM 1155 CD LYS A 75 -19.617 -4.027 -1.768 1.00 0.00 C ATOM 1156 CE LYS A 75 -19.911 -4.653 -3.133 1.00 0.00 C ATOM 1157 NZ LYS A 75 -20.728 -5.866 -3.007 1.00 0.00 N ATOM 0 H LYS A 75 -17.684 -1.060 1.434 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.183 -3.745 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.338 -1.761 -0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.849 -1.161 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -19.233 -2.092 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.803 -3.088 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -19.119 -4.752 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.549 -3.751 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.429 -3.929 -3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.973 -4.896 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.908 -6.263 -3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -20.223 -6.566 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -21.633 -5.629 -2.553 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.377 -2.580 -0.582 1.00 0.00 N ATOM 1172 CA ALA A 76 -14.045 -2.964 -1.084 1.00 0.00 C ATOM 1173 C ALA A 76 -13.131 -3.561 0.001 1.00 0.00 C ATOM 1174 O ALA A 76 -12.544 -4.612 -0.233 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.380 -1.767 -1.757 1.00 0.00 C ATOM 0 H ALA A 76 -15.529 -1.572 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.198 -3.758 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.396 -2.057 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.995 -1.430 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.273 -0.957 -1.035 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.159 -2.997 1.212 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.404 -3.518 2.375 1.00 0.00 C ATOM 1183 C LEU A 77 -12.726 -4.997 2.662 1.00 0.00 C ATOM 1184 O LEU A 77 -11.824 -5.831 2.669 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.673 -2.687 3.643 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.317 -1.195 3.552 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.768 -0.478 4.825 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.819 -0.960 3.352 1.00 0.00 C ATOM 0 H LEU A 77 -13.706 -2.162 1.423 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.350 -3.437 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.730 -2.774 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.112 -3.126 4.468 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.836 -0.796 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.514 0.580 4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.847 -0.585 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.266 -0.917 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.623 0.111 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.269 -1.385 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.496 -1.438 2.427 1.00 0.00 H new ATOM 1200 N ALA A 78 -14.021 -5.325 2.659 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.528 -6.705 2.805 1.00 0.00 C ATOM 1202 C ALA A 78 -14.016 -7.636 1.693 1.00 0.00 C ATOM 1203 O ALA A 78 -13.385 -8.640 2.005 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.058 -6.714 2.842 1.00 0.00 C ATOM 0 H ALA A 78 -14.763 -4.633 2.554 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.144 -7.088 3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.413 -7.739 2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.405 -6.119 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.447 -6.291 1.916 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.107 -7.180 0.443 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.592 -7.906 -0.739 1.00 0.00 C ATOM 1212 C GLN A 79 -12.061 -8.089 -0.780 1.00 0.00 C ATOM 1213 O GLN A 79 -11.557 -9.071 -1.317 1.00 0.00 O ATOM 1214 CB GLN A 79 -14.117 -7.225 -2.008 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.305 -7.976 -2.626 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.535 -8.205 -1.730 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -17.129 -9.272 -1.705 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -17.001 -7.211 -1.005 1.00 0.00 N ATOM 0 H GLN A 79 -14.543 -6.288 0.211 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.969 -8.926 -0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.419 -6.205 -1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.313 -7.158 -2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -15.629 -7.427 -3.510 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -14.950 -8.948 -2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.523 -6.310 -1.008 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.840 -7.342 -0.440 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.339 -7.109 -0.239 1.00 0.00 N ATOM 1228 CA TYR A 80 -9.884 -7.185 0.005 1.00 0.00 C ATOM 1229 C TYR A 80 -9.435 -8.157 1.114 1.00 0.00 C ATOM 1230 O TYR A 80 -8.246 -8.440 1.239 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.312 -5.784 0.240 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.790 -5.193 -1.073 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -9.648 -4.563 -1.965 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.455 -5.373 -1.410 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -9.173 -4.107 -3.189 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -6.977 -4.923 -2.634 1.00 0.00 C ATOM 1237 CZ TYR A 80 -7.834 -4.279 -3.518 1.00 0.00 C ATOM 1238 OH TYR A 80 -7.318 -3.671 -4.614 1.00 0.00 O ATOM 0 H TYR A 80 -11.748 -6.221 0.050 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.472 -7.617 -0.907 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -10.082 -5.135 0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.505 -5.832 0.971 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.688 -4.427 -1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.787 -5.864 -0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.843 -3.620 -3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.941 -5.073 -2.898 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.368 -3.897 -4.696 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.378 -8.578 1.958 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.116 -9.578 3.017 1.00 0.00 C ATOM 1250 C VAL A 81 -10.912 -10.886 2.894 1.00 0.00 C ATOM 1251 O VAL A 81 -10.386 -11.859 2.360 1.00 0.00 O ATOM 1252 CB VAL A 81 -10.131 -8.998 4.446 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -8.898 -8.116 4.615 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -11.388 -8.202 4.820 1.00 0.00 C ATOM 0 H VAL A 81 -11.341 -8.244 1.935 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.084 -9.871 2.825 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.129 -9.852 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.887 -7.694 5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.999 -8.714 4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.925 -7.309 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -11.297 -7.839 5.844 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.497 -7.355 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.264 -8.846 4.740 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.214 -10.818 3.166 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.151 -11.961 3.161 1.00 0.00 C ATOM 1266 C ALA A 82 -13.582 -12.338 1.725 1.00 0.00 C ATOM 1267 O ALA A 82 -14.739 -12.254 1.313 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.339 -11.604 4.064 1.00 0.00 C ATOM 0 H ALA A 82 -12.671 -9.938 3.406 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.661 -12.852 3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.047 -12.432 4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.982 -11.414 5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.833 -10.711 3.680 1.00 0.00 H new ATOM 1274 N THR A 83 -12.557 -12.706 0.964 1.00 0.00 N ATOM 1275 CA THR A 83 -12.582 -13.072 -0.470 1.00 0.00 C ATOM 1276 C THR A 83 -11.251 -13.769 -0.816 1.00 0.00 C ATOM 1277 O THR A 83 -11.271 -14.919 -1.248 1.00 0.00 O ATOM 1278 CB THR A 83 -12.801 -11.845 -1.381 1.00 0.00 C ATOM 1279 OG1 THR A 83 -13.990 -11.145 -1.003 1.00 0.00 O ATOM 1280 CG2 THR A 83 -12.911 -12.216 -2.865 1.00 0.00 C ATOM 0 H THR A 83 -11.614 -12.764 1.349 1.00 0.00 H new ATOM 0 HA THR A 83 -13.422 -13.744 -0.646 1.00 0.00 H new ATOM 0 HB THR A 83 -11.923 -11.213 -1.250 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.527 -11.709 -0.408 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.064 -11.313 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.993 -12.708 -3.186 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.754 -12.891 -3.010 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.125 -13.086 -0.589 1.00 0.00 N ATOM 1289 CA ARG A 84 -8.784 -13.672 -0.831 1.00 0.00 C ATOM 1290 C ARG A 84 -7.899 -13.931 0.408 1.00 0.00 C ATOM 1291 O ARG A 84 -7.063 -14.832 0.388 1.00 0.00 O ATOM 1292 CB ARG A 84 -8.000 -12.876 -1.893 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.439 -11.513 -1.456 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.483 -10.395 -1.349 1.00 0.00 C ATOM 1295 NE ARG A 84 -8.947 -9.921 -2.667 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.235 -9.247 -3.578 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.067 -8.687 -3.294 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -8.775 -8.968 -4.754 1.00 0.00 N ATOM 0 H ARG A 84 -10.105 -12.128 -0.239 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.022 -14.669 -1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.169 -13.492 -2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.654 -12.716 -2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.951 -11.630 -0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.670 -11.207 -2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.337 -10.755 -0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.057 -9.558 -0.796 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.915 -10.130 -2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.681 -8.762 -2.353 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.555 -8.181 -4.017 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.728 -9.266 -4.961 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.238 -8.455 -5.453 1.00 0.00 H new ATOM 1312 N SER A 85 -8.090 -13.150 1.474 1.00 0.00 N ATOM 1313 CA SER A 85 -7.264 -13.169 2.710 1.00 0.00 C ATOM 1314 C SER A 85 -5.743 -13.011 2.486 1.00 0.00 C ATOM 1315 O SER A 85 -5.390 -12.269 1.541 1.00 0.00 O ATOM 1316 CB SER A 85 -7.582 -14.405 3.562 1.00 0.00 C ATOM 1317 OG SER A 85 -8.943 -14.360 4.003 1.00 0.00 O ATOM 1318 OXT SER A 85 -4.951 -13.540 3.302 1.00 99.99 O ATOM 0 H SER A 85 -8.843 -12.463 1.514 1.00 0.00 H new ATOM 0 HA SER A 85 -7.552 -12.271 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.409 -15.311 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.914 -14.445 4.422 1.00 0.00 H new ATOM 0 HG SER A 85 -9.138 -15.153 4.545 1.00 0.00 H new TER 1324 SER A 85