USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 Single : A 1 MET CE :methyl -153:sc= -0.217 (180deg=-1.36!) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0615 (180deg=-0.572) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.0762 K(o=-0.076,f=-2.1!) USER MOD Single : A 4 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.36) USER MOD Single : A 5 THR OG1 : rot 96:sc= 1 USER MOD Single : A 6 CYS SG : rot 42:sc= 0.427 USER MOD Single : A 9 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1.4!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.127 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.7!) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -0.0289 (180deg=-0.273) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 75:sc= 0.522 USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.0213 (180deg=-0.288) USER MOD Single : A 57 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.53) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.601 K(o=-0.6,f=-1.6) USER MOD Single : A 74 THR OG1 : rot -47:sc= 0.669! USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 81 LYS NZ :NH3+ -115:sc= -3.02! (180deg=-3.34!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0988) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 2:sc= -0.344 USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=-0.0013) USER MOD Single : A 105 HIS : no HD1:sc= -0.0432 X(o=-0.043,f=-0.096) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 108 HIS : no HD1:sc= -3.87! C(o=-3.9!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.439 1.527 -28.959 1.00 0.00 N ATOM 2 CA MET A 1 -20.066 2.099 -28.892 1.00 0.00 C ATOM 3 C MET A 1 -19.195 1.462 -29.979 1.00 0.00 C ATOM 4 O MET A 1 -18.963 0.267 -29.992 1.00 0.00 O ATOM 5 CB MET A 1 -19.465 1.817 -27.510 1.00 0.00 C ATOM 6 CG MET A 1 -20.298 2.522 -26.432 1.00 0.00 C ATOM 7 SD MET A 1 -20.239 4.319 -26.674 1.00 0.00 S ATOM 8 CE MET A 1 -18.474 4.544 -26.342 1.00 0.00 C ATOM 0 H1 MET A 1 -22.108 2.175 -28.496 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.714 1.399 -29.954 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.456 0.607 -28.474 1.00 0.00 H new ATOM 0 HA MET A 1 -20.108 3.176 -29.053 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.445 0.743 -27.324 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.433 2.167 -27.473 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.330 2.175 -26.475 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.917 2.268 -25.443 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.300 5.553 -25.968 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.149 3.819 -25.596 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.909 4.396 -27.262 1.00 0.00 H new ATOM 20 N SER A 2 -18.719 2.260 -30.898 1.00 0.00 N ATOM 21 CA SER A 2 -17.869 1.726 -31.998 1.00 0.00 C ATOM 22 C SER A 2 -16.459 1.460 -31.464 1.00 0.00 C ATOM 23 O SER A 2 -15.676 0.751 -32.066 1.00 0.00 O ATOM 24 CB SER A 2 -17.808 2.760 -33.121 1.00 0.00 C ATOM 25 OG SER A 2 -19.037 2.747 -33.838 1.00 0.00 O ATOM 0 H SER A 2 -18.885 3.266 -30.932 1.00 0.00 H new ATOM 0 HA SER A 2 -18.290 0.796 -32.379 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.625 3.752 -32.708 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.979 2.536 -33.793 1.00 0.00 H new ATOM 0 HG SER A 2 -19.002 3.410 -34.558 1.00 0.00 H new ATOM 31 N ASN A 3 -16.132 2.031 -30.334 1.00 0.00 N ATOM 32 CA ASN A 3 -14.779 1.820 -29.747 1.00 0.00 C ATOM 33 C ASN A 3 -14.600 0.340 -29.395 1.00 0.00 C ATOM 34 O ASN A 3 -13.545 -0.234 -29.586 1.00 0.00 O ATOM 35 CB ASN A 3 -14.648 2.662 -28.476 1.00 0.00 C ATOM 36 CG ASN A 3 -14.442 4.133 -28.848 1.00 0.00 C ATOM 37 OD1 ASN A 3 -14.083 4.447 -29.965 1.00 0.00 O ATOM 38 ND2 ASN A 3 -14.660 5.055 -27.948 1.00 0.00 N ATOM 0 H ASN A 3 -16.748 2.637 -29.792 1.00 0.00 H new ATOM 0 HA ASN A 3 -14.016 2.116 -30.467 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -15.543 2.554 -27.863 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -13.808 2.307 -27.879 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.529 6.039 -28.183 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -14.962 4.791 -27.010 1.00 0.00 H new ATOM 45 N GLN A 4 -15.623 -0.273 -28.866 1.00 0.00 N ATOM 46 CA GLN A 4 -15.528 -1.709 -28.484 1.00 0.00 C ATOM 47 C GLN A 4 -14.995 -2.530 -29.662 1.00 0.00 C ATOM 48 O GLN A 4 -13.815 -2.800 -29.765 1.00 0.00 O ATOM 49 CB GLN A 4 -16.923 -2.218 -28.112 1.00 0.00 C ATOM 50 CG GLN A 4 -17.448 -1.457 -26.893 1.00 0.00 C ATOM 51 CD GLN A 4 -16.579 -1.773 -25.675 1.00 0.00 C ATOM 52 OE1 GLN A 4 -16.337 -2.923 -25.368 1.00 0.00 O ATOM 53 NE2 GLN A 4 -16.104 -0.793 -24.957 1.00 0.00 N ATOM 0 H GLN A 4 -16.526 0.163 -28.681 1.00 0.00 H new ATOM 0 HA GLN A 4 -14.850 -1.813 -27.637 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.603 -2.088 -28.954 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.884 -3.286 -27.896 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.439 -0.385 -27.090 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.483 -1.736 -26.696 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -16.307 0.173 -25.214 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -15.530 -0.993 -24.138 1.00 0.00 H new ATOM 62 N THR A 5 -15.870 -2.937 -30.547 1.00 0.00 N ATOM 63 CA THR A 5 -15.448 -3.753 -31.721 1.00 0.00 C ATOM 64 C THR A 5 -14.471 -4.840 -31.267 1.00 0.00 C ATOM 65 O THR A 5 -13.268 -4.708 -31.402 1.00 0.00 O ATOM 66 CB THR A 5 -14.784 -2.854 -32.765 1.00 0.00 C ATOM 67 OG1 THR A 5 -15.680 -1.808 -33.120 1.00 0.00 O ATOM 68 CG2 THR A 5 -14.451 -3.680 -34.007 1.00 0.00 C ATOM 0 H THR A 5 -16.869 -2.735 -30.504 1.00 0.00 H new ATOM 0 HA THR A 5 -16.324 -4.224 -32.167 1.00 0.00 H new ATOM 0 HB THR A 5 -13.868 -2.429 -32.354 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.477 -1.009 -32.590 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.978 -3.041 -34.753 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.770 -4.487 -33.736 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.367 -4.102 -34.420 1.00 0.00 H new ATOM 76 N CYS A 6 -14.986 -5.916 -30.723 1.00 0.00 N ATOM 77 CA CYS A 6 -14.108 -7.027 -30.248 1.00 0.00 C ATOM 78 C CYS A 6 -14.718 -8.373 -30.646 1.00 0.00 C ATOM 79 O CYS A 6 -15.925 -8.522 -30.737 1.00 0.00 O ATOM 80 CB CYS A 6 -13.983 -6.947 -28.726 1.00 0.00 C ATOM 81 SG CYS A 6 -13.107 -5.429 -28.278 1.00 0.00 S ATOM 0 H CYS A 6 -15.985 -6.072 -30.587 1.00 0.00 H new ATOM 0 HA CYS A 6 -13.122 -6.936 -30.703 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -14.972 -6.959 -28.267 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -13.445 -7.816 -28.347 1.00 0.00 H new ATOM 0 HG CYS A 6 -13.541 -4.446 -29.009 1.00 0.00 H new ATOM 87 N VAL A 7 -13.888 -9.360 -30.891 1.00 0.00 N ATOM 88 CA VAL A 7 -14.400 -10.702 -31.300 1.00 0.00 C ATOM 89 C VAL A 7 -14.464 -11.634 -30.084 1.00 0.00 C ATOM 90 O VAL A 7 -13.545 -11.710 -29.288 1.00 0.00 O ATOM 91 CB VAL A 7 -13.466 -11.306 -32.347 1.00 0.00 C ATOM 92 CG1 VAL A 7 -13.939 -12.718 -32.698 1.00 0.00 C ATOM 93 CG2 VAL A 7 -13.486 -10.436 -33.603 1.00 0.00 C ATOM 0 H VAL A 7 -12.873 -9.290 -30.824 1.00 0.00 H new ATOM 0 HA VAL A 7 -15.400 -10.587 -31.718 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.452 -11.351 -31.950 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -13.273 -13.150 -33.445 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -13.929 -13.338 -31.802 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.952 -12.674 -33.098 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.820 -10.864 -34.353 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.500 -10.394 -34.000 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.152 -9.429 -33.353 1.00 0.00 H new ATOM 103 N GLU A 8 -15.556 -12.337 -29.937 1.00 0.00 N ATOM 104 CA GLU A 8 -15.720 -13.262 -28.781 1.00 0.00 C ATOM 105 C GLU A 8 -14.575 -14.280 -28.736 1.00 0.00 C ATOM 106 O GLU A 8 -14.132 -14.790 -29.747 1.00 0.00 O ATOM 107 CB GLU A 8 -17.054 -14.000 -28.921 1.00 0.00 C ATOM 108 CG GLU A 8 -17.282 -14.893 -27.698 1.00 0.00 C ATOM 109 CD GLU A 8 -18.643 -15.581 -27.814 1.00 0.00 C ATOM 110 OE1 GLU A 8 -19.429 -15.164 -28.647 1.00 0.00 O ATOM 111 OE2 GLU A 8 -18.876 -16.518 -27.065 1.00 0.00 O ATOM 0 H GLU A 8 -16.350 -12.308 -30.577 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.704 -12.683 -27.857 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.869 -13.283 -29.016 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.053 -14.604 -29.829 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.491 -15.639 -27.627 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.241 -14.297 -26.787 1.00 0.00 H new ATOM 118 N ASN A 9 -14.107 -14.581 -27.554 1.00 0.00 N ATOM 119 CA ASN A 9 -13.000 -15.569 -27.395 1.00 0.00 C ATOM 120 C ASN A 9 -11.912 -15.322 -28.441 1.00 0.00 C ATOM 121 O ASN A 9 -11.288 -14.281 -28.464 1.00 0.00 O ATOM 122 CB ASN A 9 -13.550 -16.987 -27.571 1.00 0.00 C ATOM 123 CG ASN A 9 -14.461 -17.342 -26.397 1.00 0.00 C ATOM 124 OD1 ASN A 9 -14.287 -16.843 -25.304 1.00 0.00 O ATOM 125 ND2 ASN A 9 -15.434 -18.191 -26.581 1.00 0.00 N ATOM 0 H ASN A 9 -14.449 -14.179 -26.681 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.571 -15.456 -26.399 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.104 -17.058 -28.507 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.728 -17.700 -27.633 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.050 -18.437 -25.806 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.579 -18.609 -27.500 1.00 0.00 H new ATOM 132 N GLU A 10 -11.686 -16.283 -29.301 1.00 0.00 N ATOM 133 CA GLU A 10 -10.639 -16.141 -30.354 1.00 0.00 C ATOM 134 C GLU A 10 -9.275 -15.917 -29.692 1.00 0.00 C ATOM 135 O GLU A 10 -8.426 -16.786 -29.685 1.00 0.00 O ATOM 136 CB GLU A 10 -10.965 -14.947 -31.257 1.00 0.00 C ATOM 137 CG GLU A 10 -10.119 -15.029 -32.532 1.00 0.00 C ATOM 138 CD GLU A 10 -10.627 -16.176 -33.407 1.00 0.00 C ATOM 139 OE1 GLU A 10 -11.646 -16.751 -33.063 1.00 0.00 O ATOM 140 OE2 GLU A 10 -9.986 -16.460 -34.407 1.00 0.00 O ATOM 0 H GLU A 10 -12.189 -17.170 -29.317 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.612 -17.050 -30.955 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.025 -14.947 -31.510 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.762 -14.014 -30.732 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.174 -14.088 -33.079 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.071 -15.188 -32.277 1.00 0.00 H new ATOM 147 N VAL A 11 -9.062 -14.747 -29.150 1.00 0.00 N ATOM 148 CA VAL A 11 -7.757 -14.438 -28.500 1.00 0.00 C ATOM 149 C VAL A 11 -6.622 -14.761 -29.473 1.00 0.00 C ATOM 150 O VAL A 11 -5.461 -14.751 -29.114 1.00 0.00 O ATOM 151 CB VAL A 11 -7.603 -15.269 -27.215 1.00 0.00 C ATOM 152 CG1 VAL A 11 -6.635 -14.566 -26.259 1.00 0.00 C ATOM 153 CG2 VAL A 11 -8.967 -15.413 -26.534 1.00 0.00 C ATOM 0 H VAL A 11 -9.742 -13.987 -29.130 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.720 -13.380 -28.239 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.213 -16.254 -27.469 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.528 -15.157 -25.350 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.662 -14.460 -26.739 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.025 -13.580 -26.007 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.859 -16.002 -25.623 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.355 -14.426 -26.284 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.660 -15.914 -27.210 1.00 0.00 H new ATOM 163 N CYS A 12 -6.961 -15.045 -30.708 1.00 0.00 N ATOM 164 CA CYS A 12 -5.933 -15.377 -31.739 1.00 0.00 C ATOM 165 C CYS A 12 -4.825 -16.246 -31.132 1.00 0.00 C ATOM 166 O CYS A 12 -3.848 -15.756 -30.599 1.00 0.00 O ATOM 167 CB CYS A 12 -5.342 -14.087 -32.312 1.00 0.00 C ATOM 168 SG CYS A 12 -4.089 -14.503 -33.550 1.00 0.00 S ATOM 0 H CYS A 12 -7.923 -15.060 -31.048 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.408 -15.940 -32.543 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.128 -13.482 -32.763 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.898 -13.491 -31.515 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.585 -13.410 -34.042 1.00 0.00 H new ATOM 174 N GLU A 13 -4.988 -17.540 -31.214 1.00 0.00 N ATOM 175 CA GLU A 13 -3.973 -18.478 -30.654 1.00 0.00 C ATOM 176 C GLU A 13 -3.733 -18.156 -29.179 1.00 0.00 C ATOM 177 O GLU A 13 -2.768 -17.509 -28.815 1.00 0.00 O ATOM 178 CB GLU A 13 -2.664 -18.367 -31.450 1.00 0.00 C ATOM 179 CG GLU A 13 -2.904 -18.823 -32.896 1.00 0.00 C ATOM 180 CD GLU A 13 -3.283 -20.308 -32.922 1.00 0.00 C ATOM 181 OE1 GLU A 13 -3.008 -20.987 -31.946 1.00 0.00 O ATOM 182 OE2 GLU A 13 -3.852 -20.735 -33.913 1.00 0.00 O ATOM 0 H GLU A 13 -5.792 -17.992 -31.651 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.341 -19.501 -30.734 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.304 -17.338 -31.437 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.891 -18.981 -30.987 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.699 -18.229 -33.346 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.006 -18.658 -33.492 1.00 0.00 H new ATOM 189 N ALA A 14 -4.621 -18.606 -28.331 1.00 0.00 N ATOM 190 CA ALA A 14 -4.486 -18.337 -26.873 1.00 0.00 C ATOM 191 C ALA A 14 -3.266 -19.067 -26.311 1.00 0.00 C ATOM 192 O ALA A 14 -3.002 -20.212 -26.636 1.00 0.00 O ATOM 193 CB ALA A 14 -5.742 -18.826 -26.155 1.00 0.00 C ATOM 0 H ALA A 14 -5.441 -19.154 -28.592 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.360 -17.265 -26.718 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.649 -18.632 -25.086 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.613 -18.299 -26.545 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.862 -19.897 -26.320 1.00 0.00 H new ATOM 199 N CYS A 15 -2.526 -18.414 -25.451 1.00 0.00 N ATOM 200 CA CYS A 15 -1.326 -19.054 -24.843 1.00 0.00 C ATOM 201 C CYS A 15 -1.169 -18.575 -23.398 1.00 0.00 C ATOM 202 O CYS A 15 -1.291 -17.400 -23.103 1.00 0.00 O ATOM 203 CB CYS A 15 -0.081 -18.673 -25.646 1.00 0.00 C ATOM 204 SG CYS A 15 1.277 -19.787 -25.215 1.00 0.00 S ATOM 0 H CYS A 15 -2.705 -17.458 -25.144 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.447 -20.137 -24.855 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.291 -18.734 -26.714 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.200 -17.641 -25.435 1.00 0.00 H new ATOM 0 HG CYS A 15 2.335 -19.466 -25.898 1.00 0.00 H new ATOM 210 N GLY A 16 -0.884 -19.478 -22.498 1.00 0.00 N ATOM 211 CA GLY A 16 -0.700 -19.092 -21.071 1.00 0.00 C ATOM 212 C GLY A 16 -1.850 -18.196 -20.615 1.00 0.00 C ATOM 213 O GLY A 16 -2.888 -18.664 -20.191 1.00 0.00 O ATOM 0 H GLY A 16 -0.770 -20.473 -22.693 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.656 -19.985 -20.448 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.249 -18.570 -20.947 1.00 0.00 H new ATOM 217 N CYS A 17 -1.658 -16.906 -20.690 1.00 0.00 N ATOM 218 CA CYS A 17 -2.714 -15.947 -20.260 1.00 0.00 C ATOM 219 C CYS A 17 -2.984 -16.091 -18.758 1.00 0.00 C ATOM 220 O CYS A 17 -3.333 -17.151 -18.270 1.00 0.00 O ATOM 221 CB CYS A 17 -4.004 -16.197 -21.050 1.00 0.00 C ATOM 222 SG CYS A 17 -5.085 -14.756 -20.896 1.00 0.00 S ATOM 0 H CYS A 17 -0.802 -16.472 -21.036 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.366 -14.933 -20.458 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.772 -16.382 -22.099 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.508 -17.087 -20.673 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.180 -14.961 -21.566 1.00 0.00 H new ATOM 228 N ALA A 18 -2.824 -15.019 -18.028 1.00 0.00 N ATOM 229 CA ALA A 18 -3.067 -15.053 -16.560 1.00 0.00 C ATOM 230 C ALA A 18 -4.565 -14.895 -16.300 1.00 0.00 C ATOM 231 O ALA A 18 -5.033 -15.010 -15.182 1.00 0.00 O ATOM 232 CB ALA A 18 -2.302 -13.906 -15.899 1.00 0.00 C ATOM 0 H ALA A 18 -2.532 -14.112 -18.393 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.725 -16.001 -16.145 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.476 -13.925 -14.823 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.236 -14.018 -16.096 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.648 -12.956 -16.306 1.00 0.00 H new ATOM 238 N GLY A 19 -5.326 -14.648 -17.337 1.00 0.00 N ATOM 239 CA GLY A 19 -6.802 -14.501 -17.175 1.00 0.00 C ATOM 240 C GLY A 19 -7.175 -13.039 -16.912 1.00 0.00 C ATOM 241 O GLY A 19 -6.328 -12.178 -16.761 1.00 0.00 O ATOM 0 H GLY A 19 -4.985 -14.542 -18.292 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.308 -14.855 -18.073 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.146 -15.123 -16.349 1.00 0.00 H new ATOM 245 N GLU A 20 -8.453 -12.764 -16.858 1.00 0.00 N ATOM 246 CA GLU A 20 -8.926 -11.373 -16.612 1.00 0.00 C ATOM 247 C GLU A 20 -8.298 -10.824 -15.332 1.00 0.00 C ATOM 248 O GLU A 20 -7.353 -10.057 -15.374 1.00 0.00 O ATOM 249 CB GLU A 20 -10.450 -11.379 -16.454 1.00 0.00 C ATOM 250 CG GLU A 20 -11.116 -11.795 -17.769 1.00 0.00 C ATOM 251 CD GLU A 20 -10.832 -10.748 -18.847 1.00 0.00 C ATOM 252 OE1 GLU A 20 -10.513 -9.628 -18.486 1.00 0.00 O ATOM 253 OE2 GLU A 20 -10.942 -11.083 -20.015 1.00 0.00 O ATOM 0 H GLU A 20 -9.195 -13.453 -16.976 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.637 -10.745 -17.455 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.738 -12.066 -15.659 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.796 -10.388 -16.160 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.740 -12.768 -18.086 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.191 -11.900 -17.625 1.00 0.00 H new ATOM 260 N ILE A 21 -8.833 -11.190 -14.192 1.00 0.00 N ATOM 261 CA ILE A 21 -8.289 -10.675 -12.898 1.00 0.00 C ATOM 262 C ILE A 21 -7.439 -11.746 -12.212 1.00 0.00 C ATOM 263 O ILE A 21 -7.856 -12.878 -12.041 1.00 0.00 O ATOM 264 CB ILE A 21 -9.447 -10.277 -11.984 1.00 0.00 C ATOM 265 CG1 ILE A 21 -10.274 -9.183 -12.664 1.00 0.00 C ATOM 266 CG2 ILE A 21 -8.889 -9.744 -10.663 1.00 0.00 C ATOM 267 CD1 ILE A 21 -11.554 -8.933 -11.867 1.00 0.00 C ATOM 0 H ILE A 21 -9.626 -11.826 -14.103 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.662 -9.806 -13.099 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.077 -11.145 -11.790 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.692 -8.264 -12.733 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.521 -9.481 -13.683 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.713 -9.459 -10.009 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.294 -10.519 -10.180 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.262 -8.874 -10.858 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.140 -8.154 -12.354 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -12.139 -9.851 -11.821 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.297 -8.615 -10.856 1.00 0.00 H new ATOM 279 N GLY A 22 -6.244 -11.387 -11.819 1.00 0.00 N ATOM 280 CA GLY A 22 -5.347 -12.362 -11.143 1.00 0.00 C ATOM 281 C GLY A 22 -5.725 -12.477 -9.665 1.00 0.00 C ATOM 282 O GLY A 22 -5.303 -11.690 -8.840 1.00 0.00 O ATOM 0 H GLY A 22 -5.852 -10.453 -11.940 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.426 -13.337 -11.625 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.309 -12.042 -11.238 1.00 0.00 H new ATOM 286 N PHE A 23 -6.510 -13.468 -9.327 1.00 0.00 N ATOM 287 CA PHE A 23 -6.918 -13.670 -7.906 1.00 0.00 C ATOM 288 C PHE A 23 -6.072 -14.801 -7.316 1.00 0.00 C ATOM 289 O PHE A 23 -6.165 -15.120 -6.146 1.00 0.00 O ATOM 290 CB PHE A 23 -8.398 -14.049 -7.857 1.00 0.00 C ATOM 291 CG PHE A 23 -8.809 -14.295 -6.426 1.00 0.00 C ATOM 292 CD1 PHE A 23 -8.944 -13.215 -5.546 1.00 0.00 C ATOM 293 CD2 PHE A 23 -9.052 -15.598 -5.978 1.00 0.00 C ATOM 294 CE1 PHE A 23 -9.322 -13.439 -4.217 1.00 0.00 C ATOM 295 CE2 PHE A 23 -9.432 -15.823 -4.650 1.00 0.00 C ATOM 296 CZ PHE A 23 -9.565 -14.743 -3.768 1.00 0.00 C ATOM 0 H PHE A 23 -6.889 -14.152 -9.982 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.765 -12.756 -7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.003 -13.251 -8.288 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.575 -14.942 -8.456 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -8.757 -12.209 -5.892 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.946 -16.431 -6.657 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.426 -12.606 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.623 -16.829 -4.305 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.855 -14.916 -2.742 1.00 0.00 H new ATOM 306 N ILE A 24 -5.244 -15.405 -8.131 1.00 0.00 N ATOM 307 CA ILE A 24 -4.379 -16.515 -7.643 1.00 0.00 C ATOM 308 C ILE A 24 -3.158 -15.926 -6.944 1.00 0.00 C ATOM 309 O ILE A 24 -2.438 -16.610 -6.242 1.00 0.00 O ATOM 310 CB ILE A 24 -3.924 -17.366 -8.837 1.00 0.00 C ATOM 311 CG1 ILE A 24 -3.192 -16.488 -9.863 1.00 0.00 C ATOM 312 CG2 ILE A 24 -5.145 -17.992 -9.500 1.00 0.00 C ATOM 313 CD1 ILE A 24 -2.614 -17.365 -10.978 1.00 0.00 C ATOM 0 H ILE A 24 -5.132 -15.174 -9.118 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.937 -17.138 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.248 -18.144 -8.483 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.880 -15.755 -10.284 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.392 -15.931 -9.374 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.828 -18.598 -10.349 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.667 -18.622 -8.780 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.815 -17.205 -9.846 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.096 -16.737 -11.703 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.912 -18.081 -10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.422 -17.902 -11.475 1.00 0.00 H new ATOM 325 N ILE A 25 -2.907 -14.665 -7.157 1.00 0.00 N ATOM 326 CA ILE A 25 -1.718 -14.032 -6.537 1.00 0.00 C ATOM 327 C ILE A 25 -1.826 -14.093 -5.013 1.00 0.00 C ATOM 328 O ILE A 25 -2.332 -13.186 -4.377 1.00 0.00 O ATOM 329 CB ILE A 25 -1.616 -12.574 -6.992 1.00 0.00 C ATOM 330 CG1 ILE A 25 -1.375 -12.539 -8.503 1.00 0.00 C ATOM 331 CG2 ILE A 25 -0.454 -11.882 -6.270 1.00 0.00 C ATOM 332 CD1 ILE A 25 -1.552 -11.111 -9.022 1.00 0.00 C ATOM 0 H ILE A 25 -3.477 -14.047 -7.735 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.824 -14.571 -6.849 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.542 -12.052 -6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.370 -12.896 -8.729 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.072 -13.208 -9.007 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.387 -10.845 -6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.625 -11.911 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.478 -12.397 -6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.379 -11.091 -10.098 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.565 -10.770 -8.811 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.837 -10.453 -8.528 1.00 0.00 H new ATOM 344 N ARG A 26 -1.344 -15.163 -4.424 1.00 0.00 N ATOM 345 CA ARG A 26 -1.394 -15.316 -2.943 1.00 0.00 C ATOM 346 C ARG A 26 0.026 -15.233 -2.375 1.00 0.00 C ATOM 347 O ARG A 26 0.540 -14.162 -2.106 1.00 0.00 O ATOM 348 CB ARG A 26 -1.998 -16.684 -2.603 1.00 0.00 C ATOM 349 CG ARG A 26 -2.129 -16.823 -1.084 1.00 0.00 C ATOM 350 CD ARG A 26 -2.737 -18.185 -0.736 1.00 0.00 C ATOM 351 NE ARG A 26 -1.785 -19.269 -1.107 1.00 0.00 N ATOM 352 CZ ARG A 26 -2.125 -20.526 -0.974 1.00 0.00 C ATOM 353 NH1 ARG A 26 -3.308 -20.844 -0.521 1.00 0.00 N ATOM 354 NH2 ARG A 26 -1.279 -21.466 -1.293 1.00 0.00 N ATOM 0 H ARG A 26 -0.913 -15.945 -4.918 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.005 -14.524 -2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.976 -16.789 -3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.367 -17.480 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.150 -16.721 -0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.756 -16.023 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.960 -18.233 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.680 -18.319 -1.266 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.861 -19.030 -1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.972 -20.111 -0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.568 -21.825 -0.419 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.354 -21.221 -1.646 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.543 -22.446 -1.190 1.00 0.00 H new ATOM 368 N GLU A 27 0.655 -16.363 -2.173 1.00 0.00 N ATOM 369 CA GLU A 27 2.030 -16.378 -1.604 1.00 0.00 C ATOM 370 C GLU A 27 3.075 -16.311 -2.721 1.00 0.00 C ATOM 371 O GLU A 27 2.873 -16.816 -3.810 1.00 0.00 O ATOM 372 CB GLU A 27 2.219 -17.666 -0.796 1.00 0.00 C ATOM 373 CG GLU A 27 1.993 -18.895 -1.690 1.00 0.00 C ATOM 374 CD GLU A 27 3.235 -19.165 -2.543 1.00 0.00 C ATOM 375 OE1 GLU A 27 4.329 -18.942 -2.050 1.00 0.00 O ATOM 376 OE2 GLU A 27 3.072 -19.591 -3.675 1.00 0.00 O ATOM 0 H GLU A 27 0.268 -17.283 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 27 2.160 -15.509 -0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.224 -17.695 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.521 -17.684 0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.770 -19.766 -1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.129 -18.731 -2.334 1.00 0.00 H new ATOM 383 N GLY A 28 4.199 -15.702 -2.448 1.00 0.00 N ATOM 384 CA GLY A 28 5.265 -15.615 -3.479 1.00 0.00 C ATOM 385 C GLY A 28 6.344 -14.623 -3.034 1.00 0.00 C ATOM 386 O GLY A 28 6.060 -13.614 -2.418 1.00 0.00 O ATOM 0 H GLY A 28 4.421 -15.262 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.707 -16.598 -3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.838 -15.298 -4.430 1.00 0.00 H new ATOM 390 N ASP A 29 7.580 -14.902 -3.358 1.00 0.00 N ATOM 391 CA ASP A 29 8.691 -13.987 -2.977 1.00 0.00 C ATOM 392 C ASP A 29 8.569 -12.692 -3.784 1.00 0.00 C ATOM 393 O ASP A 29 9.157 -11.678 -3.452 1.00 0.00 O ATOM 394 CB ASP A 29 10.028 -14.659 -3.303 1.00 0.00 C ATOM 395 CG ASP A 29 10.283 -15.809 -2.327 1.00 0.00 C ATOM 396 OD1 ASP A 29 9.524 -15.939 -1.379 1.00 0.00 O ATOM 397 OD2 ASP A 29 11.232 -16.544 -2.545 1.00 0.00 O ATOM 0 H ASP A 29 7.867 -15.733 -3.875 1.00 0.00 H new ATOM 0 HA ASP A 29 8.641 -13.765 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.017 -15.034 -4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.836 -13.931 -3.240 1.00 0.00 H new ATOM 402 N ASP A 30 7.810 -12.726 -4.847 1.00 0.00 N ATOM 403 CA ASP A 30 7.632 -11.514 -5.699 1.00 0.00 C ATOM 404 C ASP A 30 6.383 -10.758 -5.250 1.00 0.00 C ATOM 405 O ASP A 30 5.913 -9.861 -5.930 1.00 0.00 O ATOM 406 CB ASP A 30 7.477 -11.942 -7.162 1.00 0.00 C ATOM 407 CG ASP A 30 6.402 -13.027 -7.271 1.00 0.00 C ATOM 408 OD1 ASP A 30 5.892 -13.433 -6.240 1.00 0.00 O ATOM 409 OD2 ASP A 30 6.114 -13.439 -8.383 1.00 0.00 O ATOM 0 H ASP A 30 7.300 -13.551 -5.164 1.00 0.00 H new ATOM 0 HA ASP A 30 8.502 -10.865 -5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.204 -11.083 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.426 -12.317 -7.544 1.00 0.00 H new ATOM 414 N VAL A 31 5.837 -11.120 -4.111 1.00 0.00 N ATOM 415 CA VAL A 31 4.604 -10.443 -3.602 1.00 0.00 C ATOM 416 C VAL A 31 4.914 -9.734 -2.283 1.00 0.00 C ATOM 417 O VAL A 31 5.560 -10.278 -1.404 1.00 0.00 O ATOM 418 CB VAL A 31 3.512 -11.493 -3.376 1.00 0.00 C ATOM 419 CG1 VAL A 31 2.330 -10.860 -2.635 1.00 0.00 C ATOM 420 CG2 VAL A 31 3.035 -12.027 -4.727 1.00 0.00 C ATOM 0 H VAL A 31 6.197 -11.861 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 31 4.262 -9.709 -4.331 1.00 0.00 H new ATOM 0 HB VAL A 31 3.916 -12.310 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.556 -11.611 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.667 -10.478 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.925 -10.041 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.258 -12.775 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.634 -11.206 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.873 -12.481 -5.255 1.00 0.00 H new ATOM 430 N ALA A 32 4.449 -8.514 -2.142 1.00 0.00 N ATOM 431 CA ALA A 32 4.694 -7.736 -0.893 1.00 0.00 C ATOM 432 C ALA A 32 3.383 -7.612 -0.112 1.00 0.00 C ATOM 433 O ALA A 32 2.306 -7.718 -0.671 1.00 0.00 O ATOM 434 CB ALA A 32 5.202 -6.341 -1.264 1.00 0.00 C ATOM 0 H ALA A 32 3.904 -8.022 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 32 5.437 -8.244 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.383 -5.766 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.130 -6.430 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.455 -5.832 -1.873 1.00 0.00 H new ATOM 440 N GLU A 33 3.468 -7.403 1.180 1.00 0.00 N ATOM 441 CA GLU A 33 2.238 -7.289 2.023 1.00 0.00 C ATOM 442 C GLU A 33 2.022 -5.835 2.444 1.00 0.00 C ATOM 443 O GLU A 33 2.910 -5.188 2.970 1.00 0.00 O ATOM 444 CB GLU A 33 2.408 -8.164 3.262 1.00 0.00 C ATOM 445 CG GLU A 33 2.394 -9.633 2.835 1.00 0.00 C ATOM 446 CD GLU A 33 2.655 -10.528 4.046 1.00 0.00 C ATOM 447 OE1 GLU A 33 2.912 -9.992 5.111 1.00 0.00 O ATOM 448 OE2 GLU A 33 2.586 -11.735 3.889 1.00 0.00 O ATOM 0 H GLU A 33 4.346 -7.306 1.690 1.00 0.00 H new ATOM 0 HA GLU A 33 1.371 -7.619 1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.345 -7.927 3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.605 -7.970 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.431 -9.882 2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.154 -9.807 2.073 1.00 0.00 H new ATOM 455 N VAL A 34 0.836 -5.317 2.213 1.00 0.00 N ATOM 456 CA VAL A 34 0.523 -3.905 2.583 1.00 0.00 C ATOM 457 C VAL A 34 -0.692 -3.882 3.510 1.00 0.00 C ATOM 458 O VAL A 34 -1.682 -4.549 3.266 1.00 0.00 O ATOM 459 CB VAL A 34 0.206 -3.115 1.312 1.00 0.00 C ATOM 460 CG1 VAL A 34 -0.348 -1.735 1.678 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.483 -2.947 0.494 1.00 0.00 C ATOM 0 H VAL A 34 0.065 -5.823 1.778 1.00 0.00 H new ATOM 0 HA VAL A 34 1.377 -3.458 3.092 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.540 -3.656 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.571 -1.179 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.260 -1.853 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.392 -1.190 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.263 -2.384 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.225 -2.408 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.875 -3.928 0.226 1.00 0.00 H new ATOM 471 N SER A 35 -0.629 -3.110 4.569 1.00 0.00 N ATOM 472 CA SER A 35 -1.778 -3.024 5.521 1.00 0.00 C ATOM 473 C SER A 35 -2.075 -1.555 5.822 1.00 0.00 C ATOM 474 O SER A 35 -1.178 -0.740 5.942 1.00 0.00 O ATOM 475 CB SER A 35 -1.419 -3.739 6.821 1.00 0.00 C ATOM 476 OG SER A 35 -0.174 -3.246 7.298 1.00 0.00 O ATOM 0 H SER A 35 0.175 -2.533 4.815 1.00 0.00 H new ATOM 0 HA SER A 35 -2.654 -3.495 5.076 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.198 -3.576 7.566 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.358 -4.814 6.654 1.00 0.00 H new ATOM 0 HG SER A 35 0.060 -3.701 8.134 1.00 0.00 H new ATOM 482 N LEU A 36 -3.336 -1.215 5.950 1.00 0.00 N ATOM 483 CA LEU A 36 -3.727 0.198 6.248 1.00 0.00 C ATOM 484 C LEU A 36 -4.607 0.225 7.492 1.00 0.00 C ATOM 485 O LEU A 36 -5.344 -0.706 7.765 1.00 0.00 O ATOM 486 CB LEU A 36 -4.507 0.767 5.062 1.00 0.00 C ATOM 487 CG LEU A 36 -3.592 0.849 3.834 1.00 0.00 C ATOM 488 CD1 LEU A 36 -4.433 1.171 2.597 1.00 0.00 C ATOM 489 CD2 LEU A 36 -2.524 1.944 4.030 1.00 0.00 C ATOM 0 H LEU A 36 -4.118 -1.864 5.860 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.833 0.798 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.368 0.136 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.891 1.757 5.308 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.090 -0.110 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.786 1.230 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.175 0.387 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.939 2.126 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.883 1.989 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.013 2.908 4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.920 1.710 4.907 1.00 0.00 H new ATOM 501 N PHE A 37 -4.535 1.293 8.249 1.00 0.00 N ATOM 502 CA PHE A 37 -5.355 1.408 9.491 1.00 0.00 C ATOM 503 C PHE A 37 -6.143 2.716 9.465 1.00 0.00 C ATOM 504 O PHE A 37 -5.676 3.727 8.971 1.00 0.00 O ATOM 505 CB PHE A 37 -4.426 1.404 10.704 1.00 0.00 C ATOM 506 CG PHE A 37 -3.719 0.073 10.785 1.00 0.00 C ATOM 507 CD1 PHE A 37 -4.403 -1.049 11.265 1.00 0.00 C ATOM 508 CD2 PHE A 37 -2.385 -0.041 10.376 1.00 0.00 C ATOM 509 CE1 PHE A 37 -3.752 -2.286 11.339 1.00 0.00 C ATOM 510 CE2 PHE A 37 -1.733 -1.278 10.451 1.00 0.00 C ATOM 511 CZ PHE A 37 -2.418 -2.400 10.931 1.00 0.00 C ATOM 0 H PHE A 37 -3.937 2.096 8.056 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.048 0.569 9.551 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.698 2.211 10.622 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.997 1.581 11.615 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.433 -0.961 11.578 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.859 0.825 10.003 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.279 -3.152 11.711 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.703 -1.366 10.139 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.917 -3.355 10.987 1.00 0.00 H new ATOM 521 N GLY A 38 -7.337 2.706 9.995 1.00 0.00 N ATOM 522 CA GLY A 38 -8.155 3.945 10.004 1.00 0.00 C ATOM 523 C GLY A 38 -9.613 3.605 10.320 1.00 0.00 C ATOM 524 O GLY A 38 -9.911 2.598 10.936 1.00 0.00 O ATOM 0 H GLY A 38 -7.778 1.891 10.421 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.766 4.642 10.746 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.090 4.441 9.036 1.00 0.00 H new ATOM 528 N SER A 39 -10.522 4.450 9.910 1.00 0.00 N ATOM 529 CA SER A 39 -11.966 4.208 10.186 1.00 0.00 C ATOM 530 C SER A 39 -12.547 3.206 9.184 1.00 0.00 C ATOM 531 O SER A 39 -11.913 2.234 8.814 1.00 0.00 O ATOM 532 CB SER A 39 -12.722 5.530 10.055 1.00 0.00 C ATOM 533 OG SER A 39 -12.038 6.536 10.789 1.00 0.00 O ATOM 0 H SER A 39 -10.322 5.305 9.391 1.00 0.00 H new ATOM 0 HA SER A 39 -12.070 3.802 11.192 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.798 5.817 9.006 1.00 0.00 H new ATOM 0 HB3 SER A 39 -13.740 5.419 10.429 1.00 0.00 H new ATOM 0 HG SER A 39 -12.519 7.386 10.706 1.00 0.00 H new ATOM 539 N ASP A 40 -13.763 3.433 8.760 1.00 0.00 N ATOM 540 CA ASP A 40 -14.418 2.501 7.802 1.00 0.00 C ATOM 541 C ASP A 40 -13.544 2.302 6.562 1.00 0.00 C ATOM 542 O ASP A 40 -12.474 2.867 6.435 1.00 0.00 O ATOM 543 CB ASP A 40 -15.770 3.082 7.378 1.00 0.00 C ATOM 544 CG ASP A 40 -16.576 2.013 6.636 1.00 0.00 C ATOM 545 OD1 ASP A 40 -16.257 0.845 6.788 1.00 0.00 O ATOM 546 OD2 ASP A 40 -17.501 2.382 5.932 1.00 0.00 O ATOM 0 H ASP A 40 -14.333 4.231 9.040 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.559 1.537 8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.321 3.425 8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.619 3.950 6.736 1.00 0.00 H new ATOM 551 N LYS A 41 -14.001 1.487 5.652 1.00 0.00 N ATOM 552 CA LYS A 41 -13.221 1.213 4.412 1.00 0.00 C ATOM 553 C LYS A 41 -13.019 2.505 3.612 1.00 0.00 C ATOM 554 O LYS A 41 -11.972 2.736 3.043 1.00 0.00 O ATOM 555 CB LYS A 41 -14.001 0.208 3.554 1.00 0.00 C ATOM 556 CG LYS A 41 -13.056 -0.469 2.556 1.00 0.00 C ATOM 557 CD LYS A 41 -13.868 -1.115 1.430 1.00 0.00 C ATOM 558 CE LYS A 41 -14.792 -2.187 2.008 1.00 0.00 C ATOM 559 NZ LYS A 41 -15.270 -3.072 0.908 1.00 0.00 N ATOM 0 H LYS A 41 -14.892 0.994 5.715 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.245 0.810 4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.469 -0.542 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.803 0.718 3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.363 0.264 2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.456 -1.224 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.455 -0.357 0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.198 -1.558 0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.262 -2.774 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.640 -1.720 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.899 -3.802 1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.790 -2.506 0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.455 -3.526 0.449 1.00 0.00 H new ATOM 573 N ALA A 42 -14.023 3.336 3.546 1.00 0.00 N ATOM 574 CA ALA A 42 -13.902 4.601 2.760 1.00 0.00 C ATOM 575 C ALA A 42 -12.586 5.310 3.094 1.00 0.00 C ATOM 576 O ALA A 42 -11.843 5.705 2.216 1.00 0.00 O ATOM 577 CB ALA A 42 -15.072 5.516 3.117 1.00 0.00 C ATOM 0 H ALA A 42 -14.924 3.195 4.003 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.915 4.367 1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.995 6.443 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.011 5.018 2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.046 5.740 4.183 1.00 0.00 H new ATOM 583 N HIS A 43 -12.300 5.484 4.353 1.00 0.00 N ATOM 584 CA HIS A 43 -11.043 6.179 4.751 1.00 0.00 C ATOM 585 C HIS A 43 -9.834 5.385 4.242 1.00 0.00 C ATOM 586 O HIS A 43 -8.868 5.942 3.755 1.00 0.00 O ATOM 587 CB HIS A 43 -10.993 6.273 6.276 1.00 0.00 C ATOM 588 CG HIS A 43 -9.878 7.188 6.695 1.00 0.00 C ATOM 589 ND1 HIS A 43 -9.486 8.271 5.926 1.00 0.00 N ATOM 590 CD2 HIS A 43 -9.074 7.205 7.807 1.00 0.00 C ATOM 591 CE1 HIS A 43 -8.486 8.890 6.579 1.00 0.00 C ATOM 592 NE2 HIS A 43 -8.195 8.281 7.731 1.00 0.00 N ATOM 0 H HIS A 43 -12.885 5.173 5.128 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.019 7.179 4.319 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.944 6.645 6.658 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.843 5.282 6.705 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.117 6.492 8.617 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.980 9.772 6.216 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.482 8.547 8.410 1.00 0.00 H new ATOM 600 N LEU A 44 -9.882 4.086 4.361 1.00 0.00 N ATOM 601 CA LEU A 44 -8.747 3.241 3.894 1.00 0.00 C ATOM 602 C LEU A 44 -8.591 3.382 2.378 1.00 0.00 C ATOM 603 O LEU A 44 -7.495 3.421 1.855 1.00 0.00 O ATOM 604 CB LEU A 44 -9.026 1.782 4.250 1.00 0.00 C ATOM 605 CG LEU A 44 -9.365 1.670 5.743 1.00 0.00 C ATOM 606 CD1 LEU A 44 -9.647 0.206 6.093 1.00 0.00 C ATOM 607 CD2 LEU A 44 -8.188 2.182 6.588 1.00 0.00 C ATOM 0 H LEU A 44 -10.664 3.571 4.765 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.826 3.564 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.853 1.403 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.156 1.168 4.018 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.247 2.274 5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.888 0.125 7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.489 -0.154 5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.766 -0.397 5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.437 2.099 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.301 1.585 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.990 3.225 6.342 1.00 0.00 H new ATOM 619 N GLU A 45 -9.686 3.449 1.667 1.00 0.00 N ATOM 620 CA GLU A 45 -9.611 3.581 0.186 1.00 0.00 C ATOM 621 C GLU A 45 -8.823 4.841 -0.173 1.00 0.00 C ATOM 622 O GLU A 45 -8.020 4.846 -1.086 1.00 0.00 O ATOM 623 CB GLU A 45 -11.028 3.690 -0.382 1.00 0.00 C ATOM 624 CG GLU A 45 -11.744 2.347 -0.232 1.00 0.00 C ATOM 625 CD GLU A 45 -13.189 2.475 -0.721 1.00 0.00 C ATOM 626 OE1 GLU A 45 -13.554 3.556 -1.155 1.00 0.00 O ATOM 627 OE2 GLU A 45 -13.907 1.491 -0.652 1.00 0.00 O ATOM 0 H GLU A 45 -10.630 3.418 2.051 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.112 2.708 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.582 4.470 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.989 3.978 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.223 1.580 -0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.730 2.031 0.811 1.00 0.00 H new ATOM 634 N GLY A 46 -9.050 5.913 0.538 1.00 0.00 N ATOM 635 CA GLY A 46 -8.315 7.173 0.240 1.00 0.00 C ATOM 636 C GLY A 46 -6.818 6.947 0.458 1.00 0.00 C ATOM 637 O GLY A 46 -5.992 7.363 -0.333 1.00 0.00 O ATOM 0 H GLY A 46 -9.713 5.969 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.502 7.482 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.671 7.977 0.885 1.00 0.00 H new ATOM 641 N LYS A 47 -6.463 6.284 1.526 1.00 0.00 N ATOM 642 CA LYS A 47 -5.025 6.013 1.802 1.00 0.00 C ATOM 643 C LYS A 47 -4.469 5.089 0.720 1.00 0.00 C ATOM 644 O LYS A 47 -3.352 5.242 0.267 1.00 0.00 O ATOM 645 CB LYS A 47 -4.891 5.341 3.169 1.00 0.00 C ATOM 646 CG LYS A 47 -5.261 6.340 4.269 1.00 0.00 C ATOM 647 CD LYS A 47 -5.133 5.667 5.638 1.00 0.00 C ATOM 648 CE LYS A 47 -5.577 6.641 6.731 1.00 0.00 C ATOM 649 NZ LYS A 47 -4.619 7.782 6.804 1.00 0.00 N ATOM 0 H LYS A 47 -7.112 5.917 2.222 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.467 6.949 1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.542 4.468 3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.870 4.987 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.608 7.211 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.280 6.697 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.744 4.765 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.101 5.359 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.581 7.009 6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.622 6.129 7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.766 8.302 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.645 7.420 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.778 8.421 5.999 1.00 0.00 H new ATOM 663 N LEU A 48 -5.243 4.121 0.312 1.00 0.00 N ATOM 664 CA LEU A 48 -4.772 3.170 -0.733 1.00 0.00 C ATOM 665 C LEU A 48 -4.493 3.930 -2.030 1.00 0.00 C ATOM 666 O LEU A 48 -3.540 3.653 -2.731 1.00 0.00 O ATOM 667 CB LEU A 48 -5.852 2.110 -0.981 1.00 0.00 C ATOM 668 CG LEU A 48 -5.402 1.140 -2.087 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.066 0.482 -1.710 1.00 0.00 C ATOM 670 CD2 LEU A 48 -6.475 0.059 -2.275 1.00 0.00 C ATOM 0 H LEU A 48 -6.186 3.948 0.660 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.856 2.684 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.048 1.558 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.786 2.593 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.267 1.694 -3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.761 -0.202 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.305 1.252 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.183 -0.072 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.162 -0.632 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.609 -0.487 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.417 0.527 -2.560 1.00 0.00 H new ATOM 682 N ALA A 49 -5.332 4.871 -2.366 1.00 0.00 N ATOM 683 CA ALA A 49 -5.130 5.638 -3.627 1.00 0.00 C ATOM 684 C ALA A 49 -3.749 6.296 -3.609 1.00 0.00 C ATOM 685 O ALA A 49 -3.049 6.327 -4.602 1.00 0.00 O ATOM 686 CB ALA A 49 -6.206 6.717 -3.729 1.00 0.00 C ATOM 0 H ALA A 49 -6.150 5.142 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.198 4.966 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.066 7.284 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.191 6.249 -3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.130 7.389 -2.874 1.00 0.00 H new ATOM 692 N GLU A 50 -3.357 6.822 -2.482 1.00 0.00 N ATOM 693 CA GLU A 50 -2.024 7.478 -2.381 1.00 0.00 C ATOM 694 C GLU A 50 -0.925 6.419 -2.496 1.00 0.00 C ATOM 695 O GLU A 50 0.119 6.646 -3.074 1.00 0.00 O ATOM 696 CB GLU A 50 -1.918 8.182 -1.027 1.00 0.00 C ATOM 697 CG GLU A 50 -2.887 9.367 -0.992 1.00 0.00 C ATOM 698 CD GLU A 50 -2.842 10.029 0.389 1.00 0.00 C ATOM 699 OE1 GLU A 50 -2.797 9.306 1.371 1.00 0.00 O ATOM 700 OE2 GLU A 50 -2.861 11.248 0.439 1.00 0.00 O ATOM 0 H GLU A 50 -3.906 6.825 -1.622 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.907 8.206 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.151 7.484 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.897 8.528 -0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.620 10.091 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.900 9.028 -1.211 1.00 0.00 H new ATOM 707 N TYR A 51 -1.157 5.269 -1.930 1.00 0.00 N ATOM 708 CA TYR A 51 -0.140 4.180 -1.976 1.00 0.00 C ATOM 709 C TYR A 51 0.117 3.781 -3.431 1.00 0.00 C ATOM 710 O TYR A 51 1.242 3.587 -3.846 1.00 0.00 O ATOM 711 CB TYR A 51 -0.673 2.974 -1.190 1.00 0.00 C ATOM 712 CG TYR A 51 -0.368 3.131 0.288 1.00 0.00 C ATOM 713 CD1 TYR A 51 -0.599 4.353 0.938 1.00 0.00 C ATOM 714 CD2 TYR A 51 0.142 2.045 1.009 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.308 4.487 2.298 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.430 2.181 2.371 1.00 0.00 C ATOM 717 CZ TYR A 51 0.200 3.401 3.016 1.00 0.00 C ATOM 718 OH TYR A 51 0.488 3.536 4.357 1.00 0.00 O ATOM 0 H TYR A 51 -2.016 5.034 -1.432 1.00 0.00 H new ATOM 0 HA TYR A 51 0.795 4.523 -1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.749 2.882 -1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.219 2.057 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.002 5.190 0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.313 1.101 0.513 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.476 5.431 2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.830 1.344 2.925 1.00 0.00 H new ATOM 0 HH TYR A 51 0.832 2.687 4.705 1.00 0.00 H new ATOM 728 N ILE A 52 -0.924 3.652 -4.203 1.00 0.00 N ATOM 729 CA ILE A 52 -0.754 3.265 -5.627 1.00 0.00 C ATOM 730 C ILE A 52 0.027 4.364 -6.349 1.00 0.00 C ATOM 731 O ILE A 52 0.910 4.101 -7.140 1.00 0.00 O ATOM 732 CB ILE A 52 -2.131 3.089 -6.270 1.00 0.00 C ATOM 733 CG1 ILE A 52 -2.826 1.863 -5.666 1.00 0.00 C ATOM 734 CG2 ILE A 52 -1.973 2.890 -7.779 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.293 1.839 -6.102 1.00 0.00 C ATOM 0 H ILE A 52 -1.889 3.799 -3.906 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.206 2.325 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.732 3.979 -6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.325 0.951 -5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.760 1.894 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.955 2.765 -8.234 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.481 3.761 -8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.370 2.002 -7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.786 0.967 -5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.790 2.745 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.349 1.788 -7.189 1.00 0.00 H new ATOM 747 N SER A 53 -0.304 5.601 -6.085 1.00 0.00 N ATOM 748 CA SER A 53 0.403 6.728 -6.756 1.00 0.00 C ATOM 749 C SER A 53 1.915 6.534 -6.636 1.00 0.00 C ATOM 750 O SER A 53 2.631 6.511 -7.618 1.00 0.00 O ATOM 751 CB SER A 53 0.014 8.031 -6.060 1.00 0.00 C ATOM 752 OG SER A 53 -1.402 8.164 -6.062 1.00 0.00 O ATOM 0 H SER A 53 -1.036 5.878 -5.431 1.00 0.00 H new ATOM 0 HA SER A 53 0.125 6.760 -7.809 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.389 8.035 -5.037 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.471 8.879 -6.570 1.00 0.00 H new ATOM 0 HG SER A 53 -1.788 7.559 -5.395 1.00 0.00 H new ATOM 758 N LEU A 54 2.402 6.387 -5.436 1.00 0.00 N ATOM 759 CA LEU A 54 3.864 6.187 -5.235 1.00 0.00 C ATOM 760 C LEU A 54 4.277 4.854 -5.859 1.00 0.00 C ATOM 761 O LEU A 54 5.339 4.723 -6.437 1.00 0.00 O ATOM 762 CB LEU A 54 4.164 6.181 -3.733 1.00 0.00 C ATOM 763 CG LEU A 54 4.258 7.624 -3.205 1.00 0.00 C ATOM 764 CD1 LEU A 54 5.526 8.324 -3.740 1.00 0.00 C ATOM 765 CD2 LEU A 54 3.007 8.404 -3.641 1.00 0.00 C ATOM 0 H LEU A 54 1.847 6.397 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 54 4.424 6.992 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.381 5.641 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.100 5.655 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 54 4.318 7.598 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.570 9.342 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.409 7.774 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.495 8.351 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.068 9.427 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.947 8.416 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.118 7.923 -3.234 1.00 0.00 H new ATOM 777 N ALA A 55 3.444 3.859 -5.731 1.00 0.00 N ATOM 778 CA ALA A 55 3.775 2.525 -6.300 1.00 0.00 C ATOM 779 C ALA A 55 4.069 2.669 -7.795 1.00 0.00 C ATOM 780 O ALA A 55 5.041 2.146 -8.304 1.00 0.00 O ATOM 781 CB ALA A 55 2.576 1.598 -6.099 1.00 0.00 C ATOM 0 H ALA A 55 2.544 3.914 -5.254 1.00 0.00 H new ATOM 0 HA ALA A 55 4.652 2.111 -5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.803 0.615 -6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.363 1.505 -5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.706 2.013 -6.608 1.00 0.00 H new ATOM 787 N LYS A 56 3.230 3.377 -8.496 1.00 0.00 N ATOM 788 CA LYS A 56 3.442 3.569 -9.956 1.00 0.00 C ATOM 789 C LYS A 56 4.739 4.341 -10.194 1.00 0.00 C ATOM 790 O LYS A 56 5.499 4.040 -11.094 1.00 0.00 O ATOM 791 CB LYS A 56 2.267 4.361 -10.527 1.00 0.00 C ATOM 792 CG LYS A 56 1.019 3.476 -10.564 1.00 0.00 C ATOM 793 CD LYS A 56 -0.161 4.284 -11.112 1.00 0.00 C ATOM 794 CE LYS A 56 -1.381 3.373 -11.250 1.00 0.00 C ATOM 795 NZ LYS A 56 -1.171 2.437 -12.390 1.00 0.00 N ATOM 0 H LYS A 56 2.401 3.834 -8.117 1.00 0.00 H new ATOM 0 HA LYS A 56 3.510 2.598 -10.446 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.080 5.244 -9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.506 4.712 -11.531 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.198 2.602 -11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.790 3.109 -9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.388 5.115 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.097 4.714 -12.080 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.537 2.812 -10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.278 3.970 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.082 2.023 -12.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.763 2.955 -13.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.521 1.679 -12.101 1.00 0.00 H new ATOM 809 N GLN A 57 4.992 5.342 -9.395 1.00 0.00 N ATOM 810 CA GLN A 57 6.231 6.146 -9.570 1.00 0.00 C ATOM 811 C GLN A 57 7.457 5.257 -9.342 1.00 0.00 C ATOM 812 O GLN A 57 8.397 5.264 -10.110 1.00 0.00 O ATOM 813 CB GLN A 57 6.234 7.278 -8.544 1.00 0.00 C ATOM 814 CG GLN A 57 5.106 8.267 -8.852 1.00 0.00 C ATOM 815 CD GLN A 57 5.393 8.980 -10.172 1.00 0.00 C ATOM 816 OE1 GLN A 57 6.487 9.464 -10.388 1.00 0.00 O ATOM 817 NE2 GLN A 57 4.451 9.075 -11.069 1.00 0.00 N ATOM 0 H GLN A 57 4.390 5.637 -8.626 1.00 0.00 H new ATOM 0 HA GLN A 57 6.264 6.555 -10.580 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.108 6.871 -7.541 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.195 7.793 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.154 7.740 -8.912 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.018 8.995 -8.046 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.533 8.669 -10.889 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.633 9.555 -11.950 1.00 0.00 H new ATOM 826 N VAL A 58 7.450 4.493 -8.284 1.00 0.00 N ATOM 827 CA VAL A 58 8.607 3.603 -7.995 1.00 0.00 C ATOM 828 C VAL A 58 8.712 2.522 -9.074 1.00 0.00 C ATOM 829 O VAL A 58 9.784 2.231 -9.572 1.00 0.00 O ATOM 830 CB VAL A 58 8.404 2.944 -6.629 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.492 1.895 -6.393 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.478 4.009 -5.531 1.00 0.00 C ATOM 0 H VAL A 58 6.689 4.448 -7.606 1.00 0.00 H new ATOM 0 HA VAL A 58 9.525 4.191 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 58 7.427 2.462 -6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.343 1.429 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.439 1.134 -7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.471 2.374 -6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.333 3.539 -4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.454 4.493 -5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.699 4.754 -5.694 1.00 0.00 H new ATOM 842 N TYR A 59 7.606 1.916 -9.432 1.00 0.00 N ATOM 843 CA TYR A 59 7.635 0.842 -10.473 1.00 0.00 C ATOM 844 C TYR A 59 6.411 0.966 -11.385 1.00 0.00 C ATOM 845 O TYR A 59 5.277 0.887 -10.947 1.00 0.00 O ATOM 846 CB TYR A 59 7.643 -0.523 -9.783 1.00 0.00 C ATOM 847 CG TYR A 59 7.547 -1.619 -10.816 1.00 0.00 C ATOM 848 CD1 TYR A 59 8.657 -1.932 -11.609 1.00 0.00 C ATOM 849 CD2 TYR A 59 6.350 -2.324 -10.978 1.00 0.00 C ATOM 850 CE1 TYR A 59 8.569 -2.952 -12.564 1.00 0.00 C ATOM 851 CE2 TYR A 59 6.261 -3.343 -11.933 1.00 0.00 C ATOM 852 CZ TYR A 59 7.370 -3.657 -12.727 1.00 0.00 C ATOM 853 OH TYR A 59 7.283 -4.661 -13.668 1.00 0.00 O ATOM 0 H TYR A 59 6.683 2.119 -9.047 1.00 0.00 H new ATOM 0 HA TYR A 59 8.533 0.945 -11.082 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.556 -0.640 -9.199 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.808 -0.593 -9.086 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.581 -1.387 -11.484 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.494 -2.082 -10.366 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.426 -3.195 -13.175 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.336 -3.887 -12.057 1.00 0.00 H new ATOM 0 HH TYR A 59 6.383 -5.049 -13.651 1.00 0.00 H new ATOM 863 N ALA A 60 6.643 1.165 -12.658 1.00 0.00 N ATOM 864 CA ALA A 60 5.522 1.307 -13.631 1.00 0.00 C ATOM 865 C ALA A 60 4.824 -0.037 -13.862 1.00 0.00 C ATOM 866 O ALA A 60 5.408 -1.089 -13.691 1.00 0.00 O ATOM 867 CB ALA A 60 6.075 1.822 -14.959 1.00 0.00 C ATOM 0 H ALA A 60 7.574 1.236 -13.068 1.00 0.00 H new ATOM 0 HA ALA A 60 4.794 2.010 -13.225 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.261 1.928 -15.676 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.551 2.790 -14.804 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.809 1.115 -15.346 1.00 0.00 H new ATOM 873 N ASN A 61 3.573 0.006 -14.252 1.00 0.00 N ATOM 874 CA ASN A 61 2.805 -1.248 -14.508 1.00 0.00 C ATOM 875 C ASN A 61 2.748 -2.077 -13.223 1.00 0.00 C ATOM 876 O ASN A 61 2.792 -3.293 -13.249 1.00 0.00 O ATOM 877 CB ASN A 61 3.475 -2.056 -15.629 1.00 0.00 C ATOM 878 CG ASN A 61 3.727 -1.146 -16.836 1.00 0.00 C ATOM 879 OD1 ASN A 61 4.760 -1.232 -17.470 1.00 0.00 O ATOM 880 ND2 ASN A 61 2.821 -0.270 -17.183 1.00 0.00 N ATOM 0 H ASN A 61 3.048 0.867 -14.405 1.00 0.00 H new ATOM 0 HA ASN A 61 1.792 -0.995 -14.820 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.416 -2.477 -15.275 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.840 -2.893 -15.918 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.982 0.340 -17.985 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.953 -0.196 -16.652 1.00 0.00 H new ATOM 887 N VAL A 62 2.649 -1.420 -12.097 1.00 0.00 N ATOM 888 CA VAL A 62 2.588 -2.152 -10.802 1.00 0.00 C ATOM 889 C VAL A 62 1.233 -2.845 -10.659 1.00 0.00 C ATOM 890 O VAL A 62 0.198 -2.286 -10.979 1.00 0.00 O ATOM 891 CB VAL A 62 2.794 -1.173 -9.645 1.00 0.00 C ATOM 892 CG1 VAL A 62 1.625 -0.187 -9.576 1.00 0.00 C ATOM 893 CG2 VAL A 62 2.876 -1.953 -8.330 1.00 0.00 C ATOM 0 H VAL A 62 2.608 -0.404 -12.021 1.00 0.00 H new ATOM 0 HA VAL A 62 3.376 -2.904 -10.780 1.00 0.00 H new ATOM 0 HB VAL A 62 3.719 -0.620 -9.807 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.781 0.506 -8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.564 0.371 -10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.696 -0.735 -9.420 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.023 -1.258 -7.503 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.950 -2.508 -8.178 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.713 -2.649 -8.372 1.00 0.00 H new ATOM 903 N GLU A 63 1.239 -4.066 -10.178 1.00 0.00 N ATOM 904 CA GLU A 63 -0.032 -4.829 -10.005 1.00 0.00 C ATOM 905 C GLU A 63 -0.296 -5.043 -8.518 1.00 0.00 C ATOM 906 O GLU A 63 0.615 -5.209 -7.728 1.00 0.00 O ATOM 907 CB GLU A 63 0.092 -6.187 -10.694 1.00 0.00 C ATOM 908 CG GLU A 63 -1.235 -6.938 -10.569 1.00 0.00 C ATOM 909 CD GLU A 63 -1.157 -8.257 -11.335 1.00 0.00 C ATOM 910 OE1 GLU A 63 -0.067 -8.625 -11.736 1.00 0.00 O ATOM 911 OE2 GLU A 63 -2.194 -8.879 -11.507 1.00 0.00 O ATOM 0 H GLU A 63 2.081 -4.569 -9.896 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.855 -4.268 -10.447 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.350 -6.053 -11.744 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.896 -6.767 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.458 -7.129 -9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.048 -6.327 -10.961 1.00 0.00 H new ATOM 918 N TYR A 64 -1.544 -5.044 -8.126 1.00 0.00 N ATOM 919 CA TYR A 64 -1.873 -5.248 -6.690 1.00 0.00 C ATOM 920 C TYR A 64 -3.239 -5.909 -6.556 1.00 0.00 C ATOM 921 O TYR A 64 -4.036 -5.916 -7.475 1.00 0.00 O ATOM 922 CB TYR A 64 -1.890 -3.897 -5.972 1.00 0.00 C ATOM 923 CG TYR A 64 -2.933 -2.992 -6.591 1.00 0.00 C ATOM 924 CD1 TYR A 64 -2.590 -2.160 -7.665 1.00 0.00 C ATOM 925 CD2 TYR A 64 -4.236 -2.968 -6.078 1.00 0.00 C ATOM 926 CE1 TYR A 64 -3.550 -1.309 -8.227 1.00 0.00 C ATOM 927 CE2 TYR A 64 -5.197 -2.119 -6.643 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.854 -1.286 -7.715 1.00 0.00 C ATOM 929 OH TYR A 64 -5.799 -0.446 -8.269 1.00 0.00 O ATOM 0 H TYR A 64 -2.347 -4.912 -8.741 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.118 -5.893 -6.241 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.105 -4.042 -4.913 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.907 -3.430 -6.037 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.585 -2.175 -8.060 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.500 -3.604 -5.246 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.285 -0.670 -9.056 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.203 -2.107 -6.251 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.651 -0.555 -7.797 1.00 0.00 H new ATOM 939 N GLU A 65 -3.519 -6.460 -5.404 1.00 0.00 N ATOM 940 CA GLU A 65 -4.836 -7.119 -5.181 1.00 0.00 C ATOM 941 C GLU A 65 -5.294 -6.840 -3.753 1.00 0.00 C ATOM 942 O GLU A 65 -4.491 -6.694 -2.848 1.00 0.00 O ATOM 943 CB GLU A 65 -4.699 -8.635 -5.400 1.00 0.00 C ATOM 944 CG GLU A 65 -6.066 -9.251 -5.738 1.00 0.00 C ATOM 945 CD GLU A 65 -6.966 -9.210 -4.503 1.00 0.00 C ATOM 946 OE1 GLU A 65 -6.441 -9.324 -3.409 1.00 0.00 O ATOM 947 OE2 GLU A 65 -8.165 -9.055 -4.672 1.00 0.00 O ATOM 0 H GLU A 65 -2.886 -6.481 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.570 -6.726 -5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.995 -8.830 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.293 -9.104 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.531 -8.703 -6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.939 -10.280 -6.074 1.00 0.00 H new ATOM 954 N VAL A 66 -6.586 -6.760 -3.545 1.00 0.00 N ATOM 955 CA VAL A 66 -7.128 -6.483 -2.185 1.00 0.00 C ATOM 956 C VAL A 66 -7.949 -7.673 -1.703 1.00 0.00 C ATOM 957 O VAL A 66 -8.812 -8.179 -2.397 1.00 0.00 O ATOM 958 CB VAL A 66 -8.010 -5.237 -2.246 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.788 -5.084 -0.935 1.00 0.00 C ATOM 960 CG2 VAL A 66 -7.125 -4.008 -2.467 1.00 0.00 C ATOM 0 H VAL A 66 -7.293 -6.877 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.305 -6.318 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.719 -5.333 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.415 -4.194 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.416 -5.961 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.088 -4.988 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.748 -3.115 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.417 -3.916 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.579 -4.117 -3.404 1.00 0.00 H new ATOM 970 N ALA A 67 -7.689 -8.116 -0.502 1.00 0.00 N ATOM 971 CA ALA A 67 -8.445 -9.264 0.056 1.00 0.00 C ATOM 972 C ALA A 67 -9.753 -8.741 0.681 1.00 0.00 C ATOM 973 O ALA A 67 -9.841 -7.589 1.059 1.00 0.00 O ATOM 974 CB ALA A 67 -7.585 -9.957 1.124 1.00 0.00 C ATOM 0 H ALA A 67 -6.979 -7.726 0.118 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.684 -9.981 -0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.133 -10.803 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.659 -10.312 0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.352 -9.249 1.919 1.00 0.00 H new ATOM 980 N PRO A 68 -10.755 -9.579 0.804 1.00 0.00 N ATOM 981 CA PRO A 68 -12.065 -9.184 1.402 1.00 0.00 C ATOM 982 C PRO A 68 -11.908 -8.325 2.662 1.00 0.00 C ATOM 983 O PRO A 68 -11.053 -8.567 3.495 1.00 0.00 O ATOM 984 CB PRO A 68 -12.703 -10.532 1.754 1.00 0.00 C ATOM 985 CG PRO A 68 -12.173 -11.480 0.729 1.00 0.00 C ATOM 986 CD PRO A 68 -10.764 -10.992 0.371 1.00 0.00 C ATOM 0 HA PRO A 68 -12.655 -8.572 0.720 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.433 -10.847 2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.791 -10.477 1.718 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.144 -12.497 1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.814 -11.496 -0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.998 -11.572 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.569 -11.083 -0.698 1.00 0.00 H new ATOM 994 N VAL A 69 -12.731 -7.307 2.792 1.00 0.00 N ATOM 995 CA VAL A 69 -12.653 -6.401 3.977 1.00 0.00 C ATOM 996 C VAL A 69 -14.012 -6.343 4.676 1.00 0.00 C ATOM 997 O VAL A 69 -15.046 -6.192 4.049 1.00 0.00 O ATOM 998 CB VAL A 69 -12.257 -5.000 3.510 1.00 0.00 C ATOM 999 CG1 VAL A 69 -12.376 -4.011 4.674 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -10.815 -5.025 3.004 1.00 0.00 C ATOM 0 H VAL A 69 -13.459 -7.067 2.119 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.909 -6.780 4.677 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.922 -4.685 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.093 -3.015 4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.405 -3.993 5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.715 -4.321 5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.529 -4.028 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.152 -5.342 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.734 -5.724 2.171 1.00 0.00 H new ATOM 1010 N ALA A 70 -14.011 -6.458 5.976 1.00 0.00 N ATOM 1011 CA ALA A 70 -15.283 -6.410 6.745 1.00 0.00 C ATOM 1012 C ALA A 70 -15.809 -4.973 6.776 1.00 0.00 C ATOM 1013 O ALA A 70 -16.369 -4.537 7.759 1.00 0.00 O ATOM 1014 CB ALA A 70 -15.020 -6.896 8.169 1.00 0.00 C ATOM 0 H ALA A 70 -13.172 -6.585 6.543 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.027 -7.050 6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.947 -6.865 8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.645 -7.919 8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.279 -6.251 8.642 1.00 0.00 H new ATOM 1020 N ASP A 71 -15.624 -4.249 5.705 1.00 0.00 N ATOM 1021 CA ASP A 71 -16.101 -2.834 5.622 1.00 0.00 C ATOM 1022 C ASP A 71 -15.570 -2.031 6.810 1.00 0.00 C ATOM 1023 O ASP A 71 -14.677 -1.212 6.679 1.00 0.00 O ATOM 1024 CB ASP A 71 -17.630 -2.816 5.637 1.00 0.00 C ATOM 1025 CG ASP A 71 -18.160 -3.363 4.312 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -17.373 -3.492 3.389 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -19.344 -3.648 4.243 1.00 0.00 O ATOM 0 H ASP A 71 -15.152 -4.585 4.865 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.735 -2.385 4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.003 -3.417 6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.991 -1.799 5.793 1.00 0.00 H new ATOM 1032 N ASN A 72 -16.121 -2.268 7.962 1.00 0.00 N ATOM 1033 CA ASN A 72 -15.676 -1.555 9.181 1.00 0.00 C ATOM 1034 C ASN A 72 -14.506 -2.328 9.783 1.00 0.00 C ATOM 1035 O ASN A 72 -14.169 -2.167 10.937 1.00 0.00 O ATOM 1036 CB ASN A 72 -16.837 -1.503 10.165 1.00 0.00 C ATOM 1037 CG ASN A 72 -16.432 -0.707 11.409 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -15.686 0.248 11.316 1.00 0.00 O ATOM 1039 ND2 ASN A 72 -16.900 -1.059 12.576 1.00 0.00 N ATOM 0 H ASN A 72 -16.875 -2.939 8.111 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.360 -0.538 8.949 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.704 -1.041 9.693 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.130 -2.514 10.449 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.640 -0.532 13.410 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.526 -1.860 12.654 1.00 0.00 H new ATOM 1046 N ALA A 73 -13.888 -3.175 8.997 1.00 0.00 N ATOM 1047 CA ALA A 73 -12.733 -3.974 9.502 1.00 0.00 C ATOM 1048 C ALA A 73 -11.699 -3.030 10.126 1.00 0.00 C ATOM 1049 O ALA A 73 -10.726 -3.467 10.707 1.00 0.00 O ATOM 1050 CB ALA A 73 -12.091 -4.730 8.329 1.00 0.00 C ATOM 0 H ALA A 73 -14.137 -3.347 8.023 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.077 -4.686 10.252 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.246 -5.316 8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.827 -5.396 7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.743 -4.016 7.583 1.00 0.00 H new ATOM 1056 N THR A 74 -11.901 -1.745 9.998 1.00 0.00 N ATOM 1057 CA THR A 74 -10.940 -0.759 10.574 1.00 0.00 C ATOM 1058 C THR A 74 -9.570 -0.933 9.917 1.00 0.00 C ATOM 1059 O THR A 74 -8.654 -0.171 10.161 1.00 0.00 O ATOM 1060 CB THR A 74 -10.821 -0.963 12.091 1.00 0.00 C ATOM 1061 OG1 THR A 74 -9.952 -2.054 12.364 1.00 0.00 O ATOM 1062 CG2 THR A 74 -12.202 -1.254 12.683 1.00 0.00 C ATOM 0 H THR A 74 -12.699 -1.333 9.514 1.00 0.00 H new ATOM 0 HA THR A 74 -11.306 0.250 10.382 1.00 0.00 H new ATOM 0 HB THR A 74 -10.416 -0.056 12.541 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.189 -2.813 11.791 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.113 -1.398 13.760 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.868 -0.415 12.483 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.610 -2.157 12.228 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.422 -1.921 9.072 1.00 0.00 N ATOM 1071 CA GLU A 75 -8.114 -2.132 8.391 1.00 0.00 C ATOM 1072 C GLU A 75 -8.352 -2.738 7.015 1.00 0.00 C ATOM 1073 O GLU A 75 -9.310 -3.460 6.800 1.00 0.00 O ATOM 1074 CB GLU A 75 -7.242 -3.073 9.228 1.00 0.00 C ATOM 1075 CG GLU A 75 -7.856 -4.477 9.257 1.00 0.00 C ATOM 1076 CD GLU A 75 -7.049 -5.362 10.207 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -6.003 -4.917 10.652 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -7.486 -6.469 10.470 1.00 0.00 O ATOM 0 H GLU A 75 -10.152 -2.590 8.826 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.603 -1.175 8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.236 -3.116 8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.149 -2.688 10.243 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.895 -4.425 9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.858 -4.906 8.255 1.00 0.00 H new ATOM 1085 N LEU A 76 -7.479 -2.458 6.082 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.623 -3.012 4.703 1.00 0.00 C ATOM 1087 C LEU A 76 -6.370 -3.800 4.338 1.00 0.00 C ATOM 1088 O LEU A 76 -5.256 -3.326 4.475 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.821 -1.861 3.714 1.00 0.00 C ATOM 1090 CG LEU A 76 -8.013 -2.413 2.275 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -9.122 -1.634 1.557 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.710 -2.270 1.475 1.00 0.00 C ATOM 0 H LEU A 76 -6.663 -1.862 6.219 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.487 -3.676 4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.690 -1.270 4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.959 -1.195 3.743 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.287 -3.466 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.249 -2.028 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.056 -1.739 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.850 -0.580 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.857 -2.660 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.431 -1.218 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.916 -2.830 1.969 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.547 -5.010 3.872 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.385 -5.860 3.495 1.00 0.00 C ATOM 1106 C HIS A 77 -5.158 -5.780 1.987 1.00 0.00 C ATOM 1107 O HIS A 77 -6.074 -5.942 1.199 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.679 -7.307 3.889 1.00 0.00 C ATOM 1109 CG HIS A 77 -5.775 -7.400 5.385 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -4.652 -7.406 6.196 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -6.852 -7.487 6.234 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -5.072 -7.492 7.470 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -6.405 -7.545 7.550 1.00 0.00 N ATOM 0 H HIS A 77 -7.459 -5.447 3.736 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.491 -5.510 4.011 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.611 -7.639 3.431 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.891 -7.964 3.521 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.887 -7.507 5.927 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.412 -7.515 8.325 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.973 -7.613 8.395 1.00 0.00 H new ATOM 1121 N ALA A 78 -3.940 -5.536 1.575 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.642 -5.445 0.119 1.00 0.00 C ATOM 1123 C ALA A 78 -2.237 -5.973 -0.149 1.00 0.00 C ATOM 1124 O ALA A 78 -1.377 -5.946 0.712 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.738 -3.985 -0.336 1.00 0.00 C ATOM 0 H ALA A 78 -3.138 -5.396 2.189 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.365 -6.044 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.519 -3.921 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.745 -3.611 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.018 -3.383 0.219 1.00 0.00 H new ATOM 1131 N ARG A 79 -2.000 -6.455 -1.346 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.657 -6.995 -1.702 1.00 0.00 C ATOM 1133 C ARG A 79 -0.193 -6.366 -3.015 1.00 0.00 C ATOM 1134 O ARG A 79 -0.989 -6.050 -3.882 1.00 0.00 O ATOM 1135 CB ARG A 79 -0.745 -8.511 -1.870 1.00 0.00 C ATOM 1136 CG ARG A 79 -1.005 -9.162 -0.510 1.00 0.00 C ATOM 1137 CD ARG A 79 -1.100 -10.681 -0.676 1.00 0.00 C ATOM 1138 NE ARG A 79 -1.342 -11.311 0.651 1.00 0.00 N ATOM 1139 CZ ARG A 79 -1.457 -12.610 0.754 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -1.372 -13.362 -0.309 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -1.657 -13.154 1.922 1.00 0.00 N ATOM 0 H ARG A 79 -2.690 -6.496 -2.096 1.00 0.00 H new ATOM 0 HA ARG A 79 0.053 -6.758 -0.910 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.545 -8.764 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.182 -8.894 -2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.202 -8.912 0.183 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.929 -8.775 -0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.908 -10.933 -1.363 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.179 -11.068 -1.112 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.418 -10.727 1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.216 -12.937 -1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.462 -14.375 -0.226 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.724 -12.567 2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.747 -14.167 2.004 1.00 0.00 H new ATOM 1155 N PHE A 80 1.098 -6.183 -3.166 1.00 0.00 N ATOM 1156 CA PHE A 80 1.651 -5.571 -4.411 1.00 0.00 C ATOM 1157 C PHE A 80 2.718 -6.491 -4.998 1.00 0.00 C ATOM 1158 O PHE A 80 3.395 -7.211 -4.286 1.00 0.00 O ATOM 1159 CB PHE A 80 2.279 -4.220 -4.068 1.00 0.00 C ATOM 1160 CG PHE A 80 1.190 -3.188 -3.882 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.368 -3.236 -2.750 1.00 0.00 C ATOM 1162 CD2 PHE A 80 1.000 -2.187 -4.843 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.643 -2.283 -2.578 1.00 0.00 C ATOM 1164 CE2 PHE A 80 -0.011 -1.235 -4.672 1.00 0.00 C ATOM 1165 CZ PHE A 80 -0.831 -1.282 -3.540 1.00 0.00 C ATOM 0 H PHE A 80 1.798 -6.436 -2.469 1.00 0.00 H new ATOM 0 HA PHE A 80 0.852 -5.432 -5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.874 -4.304 -3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.956 -3.910 -4.864 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.514 -4.008 -2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.634 -2.150 -5.716 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.277 -2.319 -1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.158 -0.464 -5.414 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.610 -0.546 -3.407 1.00 0.00 H new ATOM 1175 N LYS A 81 2.874 -6.471 -6.300 1.00 0.00 N ATOM 1176 CA LYS A 81 3.892 -7.337 -6.960 1.00 0.00 C ATOM 1177 C LYS A 81 5.072 -6.478 -7.408 1.00 0.00 C ATOM 1178 O LYS A 81 4.914 -5.518 -8.143 1.00 0.00 O ATOM 1179 CB LYS A 81 3.265 -8.011 -8.179 1.00 0.00 C ATOM 1180 CG LYS A 81 4.284 -8.954 -8.824 1.00 0.00 C ATOM 1181 CD LYS A 81 3.631 -9.684 -9.999 1.00 0.00 C ATOM 1182 CE LYS A 81 4.648 -10.634 -10.636 1.00 0.00 C ATOM 1183 NZ LYS A 81 5.052 -11.669 -9.641 1.00 0.00 N ATOM 0 H LYS A 81 2.333 -5.885 -6.936 1.00 0.00 H new ATOM 0 HA LYS A 81 4.238 -8.096 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.376 -8.568 -7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.944 -7.258 -8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.150 -8.390 -9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.645 -9.674 -8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.760 -10.243 -9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.277 -8.964 -10.737 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.216 -11.110 -11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.522 -10.076 -10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.061 -11.557 -9.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.487 -11.557 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.890 -12.616 -10.040 1.00 0.00 H new ATOM 1197 N PHE A 82 6.258 -6.821 -6.967 1.00 0.00 N ATOM 1198 CA PHE A 82 7.474 -6.043 -7.346 1.00 0.00 C ATOM 1199 C PHE A 82 8.507 -6.980 -7.969 1.00 0.00 C ATOM 1200 O PHE A 82 8.640 -8.127 -7.586 1.00 0.00 O ATOM 1201 CB PHE A 82 8.058 -5.382 -6.095 1.00 0.00 C ATOM 1202 CG PHE A 82 7.064 -4.376 -5.555 1.00 0.00 C ATOM 1203 CD1 PHE A 82 6.722 -3.253 -6.323 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.480 -4.563 -4.294 1.00 0.00 C ATOM 1205 CE1 PHE A 82 5.803 -2.321 -5.831 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.559 -3.628 -3.804 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.221 -2.508 -4.573 1.00 0.00 C ATOM 0 H PHE A 82 6.435 -7.617 -6.354 1.00 0.00 H new ATOM 0 HA PHE A 82 7.208 -5.274 -8.072 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.278 -6.136 -5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.999 -4.888 -6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.169 -3.108 -7.295 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.740 -5.427 -3.701 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.542 -1.456 -6.423 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.109 -3.771 -2.833 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.510 -1.788 -4.195 1.00 0.00 H new ATOM 1217 N GLU A 83 9.233 -6.494 -8.939 1.00 0.00 N ATOM 1218 CA GLU A 83 10.259 -7.335 -9.612 1.00 0.00 C ATOM 1219 C GLU A 83 11.388 -7.657 -8.633 1.00 0.00 C ATOM 1220 O GLU A 83 12.033 -8.685 -8.744 1.00 0.00 O ATOM 1221 CB GLU A 83 10.826 -6.578 -10.815 1.00 0.00 C ATOM 1222 CG GLU A 83 11.821 -7.471 -11.562 1.00 0.00 C ATOM 1223 CD GLU A 83 12.338 -6.739 -12.802 1.00 0.00 C ATOM 1224 OE1 GLU A 83 12.100 -5.548 -12.908 1.00 0.00 O ATOM 1225 OE2 GLU A 83 12.965 -7.386 -13.627 1.00 0.00 O ATOM 0 H GLU A 83 9.157 -5.541 -9.296 1.00 0.00 H new ATOM 0 HA GLU A 83 9.800 -8.265 -9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.018 -6.279 -11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.320 -5.665 -10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.653 -7.732 -10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.340 -8.405 -11.853 1.00 0.00 H new ATOM 1232 N VAL A 84 11.643 -6.786 -7.683 1.00 0.00 N ATOM 1233 CA VAL A 84 12.746 -7.041 -6.700 1.00 0.00 C ATOM 1234 C VAL A 84 12.250 -6.811 -5.272 1.00 0.00 C ATOM 1235 O VAL A 84 11.374 -6.006 -5.019 1.00 0.00 O ATOM 1236 CB VAL A 84 13.914 -6.096 -6.991 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.453 -6.374 -8.394 1.00 0.00 C ATOM 1238 CG2 VAL A 84 13.443 -4.640 -6.905 1.00 0.00 C ATOM 0 H VAL A 84 11.136 -5.912 -7.546 1.00 0.00 H new ATOM 0 HA VAL A 84 13.074 -8.076 -6.797 1.00 0.00 H new ATOM 0 HB VAL A 84 14.701 -6.261 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.285 -5.702 -8.604 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.797 -7.407 -8.454 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.662 -6.212 -9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.280 -3.974 -7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 84 12.653 -4.469 -7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.061 -4.440 -5.904 1.00 0.00 H new ATOM 1248 N SER A 85 12.824 -7.521 -4.336 1.00 0.00 N ATOM 1249 CA SER A 85 12.424 -7.381 -2.908 1.00 0.00 C ATOM 1250 C SER A 85 12.941 -6.047 -2.358 1.00 0.00 C ATOM 1251 O SER A 85 12.332 -5.435 -1.500 1.00 0.00 O ATOM 1252 CB SER A 85 13.030 -8.535 -2.115 1.00 0.00 C ATOM 1253 OG SER A 85 12.341 -9.740 -2.435 1.00 0.00 O ATOM 0 H SER A 85 13.564 -8.202 -4.506 1.00 0.00 H new ATOM 0 HA SER A 85 11.338 -7.403 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 85 14.090 -8.635 -2.350 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.958 -8.334 -1.046 1.00 0.00 H new ATOM 0 HG SER A 85 12.729 -10.483 -1.928 1.00 0.00 H new ATOM 1259 N ALA A 86 14.067 -5.597 -2.842 1.00 0.00 N ATOM 1260 CA ALA A 86 14.627 -4.310 -2.344 1.00 0.00 C ATOM 1261 C ALA A 86 13.565 -3.221 -2.492 1.00 0.00 C ATOM 1262 O ALA A 86 13.456 -2.328 -1.679 1.00 0.00 O ATOM 1263 CB ALA A 86 15.853 -3.937 -3.176 1.00 0.00 C ATOM 0 H ALA A 86 14.622 -6.064 -3.559 1.00 0.00 H new ATOM 0 HA ALA A 86 14.915 -4.409 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.265 -2.995 -2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.605 -4.721 -3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.564 -3.829 -4.221 1.00 0.00 H new ATOM 1269 N GLU A 87 12.779 -3.302 -3.528 1.00 0.00 N ATOM 1270 CA GLU A 87 11.714 -2.287 -3.747 1.00 0.00 C ATOM 1271 C GLU A 87 10.684 -2.392 -2.622 1.00 0.00 C ATOM 1272 O GLU A 87 10.081 -1.418 -2.225 1.00 0.00 O ATOM 1273 CB GLU A 87 11.035 -2.554 -5.090 1.00 0.00 C ATOM 1274 CG GLU A 87 10.011 -1.452 -5.369 1.00 0.00 C ATOM 1275 CD GLU A 87 9.332 -1.707 -6.714 1.00 0.00 C ATOM 1276 OE1 GLU A 87 9.851 -2.500 -7.481 1.00 0.00 O ATOM 1277 OE2 GLU A 87 8.299 -1.102 -6.953 1.00 0.00 O ATOM 0 H GLU A 87 12.830 -4.033 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 87 12.148 -1.287 -3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.779 -2.585 -5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.544 -3.527 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.266 -1.425 -4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.503 -0.479 -5.378 1.00 0.00 H new ATOM 1284 N LYS A 88 10.475 -3.575 -2.112 1.00 0.00 N ATOM 1285 CA LYS A 88 9.486 -3.754 -1.012 1.00 0.00 C ATOM 1286 C LYS A 88 9.945 -2.968 0.216 1.00 0.00 C ATOM 1287 O LYS A 88 9.165 -2.306 0.873 1.00 0.00 O ATOM 1288 CB LYS A 88 9.391 -5.238 -0.657 1.00 0.00 C ATOM 1289 CG LYS A 88 8.302 -5.451 0.399 1.00 0.00 C ATOM 1290 CD LYS A 88 8.175 -6.948 0.703 1.00 0.00 C ATOM 1291 CE LYS A 88 7.080 -7.165 1.751 1.00 0.00 C ATOM 1292 NZ LYS A 88 6.925 -8.625 2.014 1.00 0.00 N ATOM 0 H LYS A 88 10.948 -4.428 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 88 8.510 -3.390 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.164 -5.821 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.350 -5.593 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.550 -4.904 1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.350 -5.059 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.935 -7.496 -0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.125 -7.338 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.336 -6.644 2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.137 -6.746 1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.066 -8.787 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.847 -9.134 1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.753 -8.973 2.537 1.00 0.00 H new ATOM 1306 N LEU A 89 11.209 -3.055 0.543 1.00 0.00 N ATOM 1307 CA LEU A 89 11.721 -2.328 1.740 1.00 0.00 C ATOM 1308 C LEU A 89 11.541 -0.818 1.557 1.00 0.00 C ATOM 1309 O LEU A 89 11.024 -0.131 2.416 1.00 0.00 O ATOM 1310 CB LEU A 89 13.213 -2.631 1.894 1.00 0.00 C ATOM 1311 CG LEU A 89 13.423 -4.109 2.257 1.00 0.00 C ATOM 1312 CD1 LEU A 89 14.918 -4.442 2.176 1.00 0.00 C ATOM 1313 CD2 LEU A 89 12.904 -4.394 3.680 1.00 0.00 C ATOM 0 H LEU A 89 11.906 -3.597 0.033 1.00 0.00 H new ATOM 0 HA LEU A 89 11.169 -2.651 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.736 -2.400 0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.642 -1.995 2.668 1.00 0.00 H new ATOM 0 HG LEU A 89 12.867 -4.730 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.072 -5.490 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.277 -4.260 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 89 15.469 -3.813 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.061 -5.446 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 89 13.444 -3.774 4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.840 -4.165 3.732 1.00 0.00 H new ATOM 1325 N ILE A 90 11.958 -0.301 0.433 1.00 0.00 N ATOM 1326 CA ILE A 90 11.820 1.161 0.177 1.00 0.00 C ATOM 1327 C ILE A 90 10.340 1.505 -0.026 1.00 0.00 C ATOM 1328 O ILE A 90 9.854 2.510 0.456 1.00 0.00 O ATOM 1329 CB ILE A 90 12.638 1.526 -1.074 1.00 0.00 C ATOM 1330 CG1 ILE A 90 14.124 1.646 -0.700 1.00 0.00 C ATOM 1331 CG2 ILE A 90 12.157 2.863 -1.654 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.573 0.395 0.063 1.00 0.00 C ATOM 0 H ILE A 90 12.391 -0.832 -0.323 1.00 0.00 H new ATOM 0 HA ILE A 90 12.195 1.731 1.027 1.00 0.00 H new ATOM 0 HB ILE A 90 12.504 0.743 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.726 1.769 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.283 2.533 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.745 3.108 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.105 2.783 -1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.279 3.648 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.627 0.487 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.981 0.291 0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.431 -0.485 -0.565 1.00 0.00 H new ATOM 1344 N PHE A 91 9.630 0.688 -0.751 1.00 0.00 N ATOM 1345 CA PHE A 91 8.192 0.972 -1.004 1.00 0.00 C ATOM 1346 C PHE A 91 7.469 1.089 0.334 1.00 0.00 C ATOM 1347 O PHE A 91 6.697 2.000 0.560 1.00 0.00 O ATOM 1348 CB PHE A 91 7.589 -0.172 -1.815 1.00 0.00 C ATOM 1349 CG PHE A 91 6.108 0.064 -1.990 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.659 1.123 -2.788 1.00 0.00 C ATOM 1351 CD2 PHE A 91 5.183 -0.772 -1.352 1.00 0.00 C ATOM 1352 CE1 PHE A 91 4.288 1.347 -2.947 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.811 -0.548 -1.513 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.363 0.511 -2.309 1.00 0.00 C ATOM 0 H PHE A 91 9.985 -0.166 -1.180 1.00 0.00 H new ATOM 0 HA PHE A 91 8.087 1.903 -1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.075 -0.238 -2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.760 -1.122 -1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.372 1.767 -3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.528 -1.589 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.942 2.165 -3.562 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.098 -1.193 -1.022 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.304 0.684 -2.432 1.00 0.00 H new ATOM 1364 N GLU A 92 7.726 0.175 1.224 1.00 0.00 N ATOM 1365 CA GLU A 92 7.076 0.226 2.558 1.00 0.00 C ATOM 1366 C GLU A 92 7.613 1.428 3.330 1.00 0.00 C ATOM 1367 O GLU A 92 6.915 2.045 4.111 1.00 0.00 O ATOM 1368 CB GLU A 92 7.389 -1.060 3.318 1.00 0.00 C ATOM 1369 CG GLU A 92 6.629 -2.226 2.681 1.00 0.00 C ATOM 1370 CD GLU A 92 6.999 -3.529 3.391 1.00 0.00 C ATOM 1371 OE1 GLU A 92 7.853 -3.486 4.262 1.00 0.00 O ATOM 1372 OE2 GLU A 92 6.426 -4.548 3.048 1.00 0.00 O ATOM 0 H GLU A 92 8.362 -0.610 1.083 1.00 0.00 H new ATOM 0 HA GLU A 92 5.996 0.323 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.461 -1.256 3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.104 -0.955 4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.555 -2.054 2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.872 -2.296 1.621 1.00 0.00 H new ATOM 1379 N LEU A 93 8.859 1.758 3.121 1.00 0.00 N ATOM 1380 CA LEU A 93 9.457 2.915 3.841 1.00 0.00 C ATOM 1381 C LEU A 93 8.722 4.195 3.444 1.00 0.00 C ATOM 1382 O LEU A 93 8.420 5.036 4.267 1.00 0.00 O ATOM 1383 CB LEU A 93 10.938 3.033 3.458 1.00 0.00 C ATOM 1384 CG LEU A 93 11.598 4.193 4.222 1.00 0.00 C ATOM 1385 CD1 LEU A 93 11.535 3.934 5.736 1.00 0.00 C ATOM 1386 CD2 LEU A 93 13.064 4.318 3.781 1.00 0.00 C ATOM 0 H LEU A 93 9.489 1.274 2.481 1.00 0.00 H new ATOM 0 HA LEU A 93 9.368 2.767 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.454 2.100 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.031 3.197 2.384 1.00 0.00 H new ATOM 0 HG LEU A 93 11.066 5.118 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.005 4.762 6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.494 3.848 6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.061 3.008 5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.537 5.139 4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.590 3.389 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.106 4.515 2.710 1.00 0.00 H new ATOM 1398 N LYS A 94 8.445 4.350 2.179 1.00 0.00 N ATOM 1399 CA LYS A 94 7.740 5.571 1.706 1.00 0.00 C ATOM 1400 C LYS A 94 6.326 5.608 2.286 1.00 0.00 C ATOM 1401 O LYS A 94 5.843 6.638 2.713 1.00 0.00 O ATOM 1402 CB LYS A 94 7.667 5.540 0.180 1.00 0.00 C ATOM 1403 CG LYS A 94 9.079 5.596 -0.424 1.00 0.00 C ATOM 1404 CD LYS A 94 9.699 6.986 -0.220 1.00 0.00 C ATOM 1405 CE LYS A 94 10.866 7.178 -1.190 1.00 0.00 C ATOM 1406 NZ LYS A 94 11.459 8.528 -0.976 1.00 0.00 N ATOM 0 H LYS A 94 8.679 3.678 1.449 1.00 0.00 H new ATOM 0 HA LYS A 94 8.282 6.459 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.160 4.633 -0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.077 6.383 -0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.710 4.839 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.035 5.364 -1.488 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.947 7.758 -0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.047 7.092 0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.619 6.407 -1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.521 7.078 -2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.254 8.666 -1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.737 9.256 -1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.801 8.606 0.003 1.00 0.00 H new ATOM 1420 N THR A 95 5.653 4.489 2.296 1.00 0.00 N ATOM 1421 CA THR A 95 4.269 4.461 2.842 1.00 0.00 C ATOM 1422 C THR A 95 4.307 4.745 4.342 1.00 0.00 C ATOM 1423 O THR A 95 3.500 5.487 4.867 1.00 0.00 O ATOM 1424 CB THR A 95 3.655 3.083 2.606 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.578 2.082 3.001 1.00 0.00 O ATOM 1426 CG2 THR A 95 3.313 2.915 1.123 1.00 0.00 C ATOM 0 H THR A 95 6.002 3.595 1.950 1.00 0.00 H new ATOM 0 HA THR A 95 3.668 5.220 2.341 1.00 0.00 H new ATOM 0 HB THR A 95 2.743 2.988 3.195 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.383 2.505 3.366 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.875 1.930 0.960 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.599 3.683 0.825 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.221 3.012 0.527 1.00 0.00 H new ATOM 1434 N ARG A 96 5.238 4.154 5.039 1.00 0.00 N ATOM 1435 CA ARG A 96 5.327 4.385 6.505 1.00 0.00 C ATOM 1436 C ARG A 96 5.616 5.860 6.769 1.00 0.00 C ATOM 1437 O ARG A 96 5.023 6.481 7.630 1.00 0.00 O ATOM 1438 CB ARG A 96 6.462 3.538 7.085 1.00 0.00 C ATOM 1439 CG ARG A 96 6.366 3.505 8.622 1.00 0.00 C ATOM 1440 CD ARG A 96 5.464 2.348 9.066 1.00 0.00 C ATOM 1441 NE ARG A 96 6.093 1.059 8.668 1.00 0.00 N ATOM 1442 CZ ARG A 96 5.413 -0.055 8.722 1.00 0.00 C ATOM 1443 NH1 ARG A 96 4.166 -0.044 9.109 1.00 0.00 N ATOM 1444 NH2 ARG A 96 5.980 -1.179 8.382 1.00 0.00 N ATOM 0 H ARG A 96 5.940 3.521 4.655 1.00 0.00 H new ATOM 0 HA ARG A 96 4.384 4.106 6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.409 2.524 6.688 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.425 3.949 6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.360 3.389 9.054 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.967 4.450 8.990 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.319 2.378 10.146 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.479 2.443 8.609 1.00 0.00 H new ATOM 0 HE ARG A 96 7.062 1.045 8.351 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.721 0.836 9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.637 -0.915 9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.953 -1.187 8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.451 -2.050 8.423 1.00 0.00 H new ATOM 1458 N ALA A 97 6.536 6.425 6.033 1.00 0.00 N ATOM 1459 CA ALA A 97 6.879 7.859 6.231 1.00 0.00 C ATOM 1460 C ALA A 97 5.651 8.705 5.917 1.00 0.00 C ATOM 1461 O ALA A 97 5.354 9.673 6.590 1.00 0.00 O ATOM 1462 CB ALA A 97 8.016 8.233 5.283 1.00 0.00 C ATOM 0 H ALA A 97 7.065 5.951 5.301 1.00 0.00 H new ATOM 0 HA ALA A 97 7.192 8.035 7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.274 9.283 5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.887 7.614 5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.699 8.070 4.253 1.00 0.00 H new ATOM 1468 N LEU A 98 4.934 8.340 4.895 1.00 0.00 N ATOM 1469 CA LEU A 98 3.714 9.101 4.522 1.00 0.00 C ATOM 1470 C LEU A 98 2.697 8.998 5.656 1.00 0.00 C ATOM 1471 O LEU A 98 2.058 9.962 6.030 1.00 0.00 O ATOM 1472 CB LEU A 98 3.133 8.490 3.244 1.00 0.00 C ATOM 1473 CG LEU A 98 1.844 9.241 2.814 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.818 9.404 1.287 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.595 8.450 3.246 1.00 0.00 C ATOM 0 H LEU A 98 5.143 7.540 4.297 1.00 0.00 H new ATOM 0 HA LEU A 98 3.954 10.150 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.872 8.537 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.908 7.436 3.408 1.00 0.00 H new ATOM 0 HG LEU A 98 1.841 10.220 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.911 9.932 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.690 9.975 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.835 8.421 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.301 8.988 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.607 7.466 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.594 8.335 4.330 1.00 0.00 H new ATOM 1487 N ALA A 99 2.542 7.818 6.196 1.00 0.00 N ATOM 1488 CA ALA A 99 1.571 7.611 7.306 1.00 0.00 C ATOM 1489 C ALA A 99 2.037 8.378 8.545 1.00 0.00 C ATOM 1490 O ALA A 99 1.241 8.904 9.299 1.00 0.00 O ATOM 1491 CB ALA A 99 1.500 6.119 7.625 1.00 0.00 C ATOM 0 H ALA A 99 3.052 6.982 5.911 1.00 0.00 H new ATOM 0 HA ALA A 99 0.587 7.975 7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.792 5.954 8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.172 5.573 6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.486 5.764 7.926 1.00 0.00 H new ATOM 1497 N ARG A 100 3.323 8.433 8.763 1.00 0.00 N ATOM 1498 CA ARG A 100 3.852 9.153 9.951 1.00 0.00 C ATOM 1499 C ARG A 100 3.835 10.655 9.676 1.00 0.00 C ATOM 1500 O ARG A 100 4.065 11.459 10.556 1.00 0.00 O ATOM 1501 CB ARG A 100 5.288 8.702 10.219 1.00 0.00 C ATOM 1502 CG ARG A 100 5.285 7.258 10.729 1.00 0.00 C ATOM 1503 CD ARG A 100 6.727 6.780 10.932 1.00 0.00 C ATOM 1504 NE ARG A 100 6.718 5.386 11.454 1.00 0.00 N ATOM 1505 CZ ARG A 100 7.838 4.732 11.612 1.00 0.00 C ATOM 1506 NH1 ARG A 100 8.976 5.290 11.296 1.00 0.00 N ATOM 1507 NH2 ARG A 100 7.819 3.515 12.083 1.00 0.00 N ATOM 0 H ARG A 100 4.031 8.007 8.165 1.00 0.00 H new ATOM 0 HA ARG A 100 3.233 8.932 10.821 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.879 8.775 9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.755 9.357 10.954 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.735 7.195 11.668 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.774 6.611 10.016 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.272 6.823 9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.245 7.438 11.630 1.00 0.00 H new ATOM 0 HE ARG A 100 5.832 4.939 11.690 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.993 6.240 10.924 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.848 4.776 11.421 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.931 3.076 12.327 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.692 3.003 12.207 1.00 0.00 H new ATOM 1521 N LEU A 101 3.555 11.031 8.455 1.00 0.00 N ATOM 1522 CA LEU A 101 3.507 12.478 8.094 1.00 0.00 C ATOM 1523 C LEU A 101 4.677 13.233 8.736 1.00 0.00 C ATOM 1524 O LEU A 101 5.739 13.372 8.157 1.00 0.00 O ATOM 1525 CB LEU A 101 2.192 13.080 8.596 1.00 0.00 C ATOM 1526 CG LEU A 101 1.010 12.477 7.822 1.00 0.00 C ATOM 1527 CD1 LEU A 101 -0.303 12.877 8.505 1.00 0.00 C ATOM 1528 CD2 LEU A 101 1.008 12.972 6.361 1.00 0.00 C ATOM 0 H LEU A 101 3.356 10.391 7.686 1.00 0.00 H new ATOM 0 HA LEU A 101 3.577 12.570 7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.077 12.885 9.662 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.206 14.163 8.469 1.00 0.00 H new ATOM 0 HG LEU A 101 1.108 11.391 7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.143 12.450 7.957 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.309 12.503 9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.391 13.963 8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.163 12.534 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.922 14.059 6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.937 12.674 5.875 1.00 0.00 H new ATOM 1540 N GLU A 102 4.477 13.740 9.922 1.00 0.00 N ATOM 1541 CA GLU A 102 5.549 14.512 10.604 1.00 0.00 C ATOM 1542 C GLU A 102 6.844 13.700 10.664 1.00 0.00 C ATOM 1543 O GLU A 102 6.839 12.495 10.838 1.00 0.00 O ATOM 1544 CB GLU A 102 5.090 14.863 12.018 1.00 0.00 C ATOM 1545 CG GLU A 102 3.878 15.798 11.946 1.00 0.00 C ATOM 1546 CD GLU A 102 4.287 17.130 11.312 1.00 0.00 C ATOM 1547 OE1 GLU A 102 5.473 17.418 11.298 1.00 0.00 O ATOM 1548 OE2 GLU A 102 3.409 17.839 10.846 1.00 0.00 O ATOM 0 H GLU A 102 3.609 13.650 10.450 1.00 0.00 H new ATOM 0 HA GLU A 102 5.744 15.425 10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.830 13.955 12.563 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.901 15.343 12.566 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.084 15.335 11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.479 15.968 12.946 1.00 0.00 H new ATOM 1555 N HIS A 103 7.955 14.371 10.510 1.00 0.00 N ATOM 1556 CA HIS A 103 9.274 13.685 10.533 1.00 0.00 C ATOM 1557 C HIS A 103 9.673 13.324 11.965 1.00 0.00 C ATOM 1558 O HIS A 103 9.393 14.044 12.905 1.00 0.00 O ATOM 1559 CB HIS A 103 10.325 14.622 9.940 1.00 0.00 C ATOM 1560 CG HIS A 103 9.990 14.894 8.500 1.00 0.00 C ATOM 1561 ND1 HIS A 103 10.196 13.952 7.505 1.00 0.00 N ATOM 1562 CD2 HIS A 103 9.461 15.994 7.873 1.00 0.00 C ATOM 1563 CE1 HIS A 103 9.797 14.497 6.342 1.00 0.00 C ATOM 1564 NE2 HIS A 103 9.340 15.742 6.509 1.00 0.00 N ATOM 0 H HIS A 103 8.002 15.380 10.367 1.00 0.00 H new ATOM 0 HA HIS A 103 9.206 12.767 9.950 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.355 15.556 10.501 1.00 0.00 H new ATOM 0 HB3 HIS A 103 11.315 14.172 10.017 1.00 0.00 H new ATOM 0 HD2 HIS A 103 9.181 16.915 8.363 1.00 0.00 H new ATOM 0 HE1 HIS A 103 9.841 13.990 5.389 1.00 0.00 H new ATOM 0 HE2 HIS A 103 8.980 16.372 5.792 1.00 0.00 H new ATOM 1572 N HIS A 104 10.337 12.209 12.120 1.00 0.00 N ATOM 1573 CA HIS A 104 10.787 11.760 13.468 1.00 0.00 C ATOM 1574 C HIS A 104 9.578 11.548 14.379 1.00 0.00 C ATOM 1575 O HIS A 104 9.191 12.419 15.136 1.00 0.00 O ATOM 1576 CB HIS A 104 11.734 12.800 14.078 1.00 0.00 C ATOM 1577 CG HIS A 104 12.811 13.141 13.080 1.00 0.00 C ATOM 1578 ND1 HIS A 104 13.870 12.288 12.811 1.00 0.00 N ATOM 1579 CD2 HIS A 104 13.002 14.239 12.277 1.00 0.00 C ATOM 1580 CE1 HIS A 104 14.644 12.881 11.884 1.00 0.00 C ATOM 1581 NE2 HIS A 104 14.159 14.073 11.523 1.00 0.00 N ATOM 0 H HIS A 104 10.590 11.582 11.357 1.00 0.00 H new ATOM 0 HA HIS A 104 11.321 10.815 13.368 1.00 0.00 H new ATOM 0 HB2 HIS A 104 11.179 13.697 14.352 1.00 0.00 H new ATOM 0 HB3 HIS A 104 12.180 12.410 14.993 1.00 0.00 H new ATOM 0 HD2 HIS A 104 12.352 15.101 12.237 1.00 0.00 H new ATOM 0 HE1 HIS A 104 15.547 12.447 11.481 1.00 0.00 H new ATOM 0 HE2 HIS A 104 14.553 14.722 10.841 1.00 0.00 H new ATOM 1589 N HIS A 105 8.983 10.387 14.313 1.00 0.00 N ATOM 1590 CA HIS A 105 7.805 10.095 15.173 1.00 0.00 C ATOM 1591 C HIS A 105 8.283 9.868 16.607 1.00 0.00 C ATOM 1592 O HIS A 105 7.495 9.742 17.526 1.00 0.00 O ATOM 1593 CB HIS A 105 7.108 8.829 14.665 1.00 0.00 C ATOM 1594 CG HIS A 105 5.776 8.683 15.343 1.00 0.00 C ATOM 1595 ND1 HIS A 105 4.723 9.549 15.096 1.00 0.00 N ATOM 1596 CD2 HIS A 105 5.309 7.779 16.267 1.00 0.00 C ATOM 1597 CE1 HIS A 105 3.686 9.155 15.857 1.00 0.00 C ATOM 1598 NE2 HIS A 105 3.989 8.079 16.590 1.00 0.00 N ATOM 0 H HIS A 105 9.266 9.626 13.696 1.00 0.00 H new ATOM 0 HA HIS A 105 7.107 10.932 15.143 1.00 0.00 H new ATOM 0 HB2 HIS A 105 6.974 8.884 13.585 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.728 7.955 14.865 1.00 0.00 H new ATOM 0 HD2 HIS A 105 5.880 6.960 16.680 1.00 0.00 H new ATOM 0 HE1 HIS A 105 2.725 9.648 15.874 1.00 0.00 H new ATOM 0 HE2 HIS A 105 3.383 7.584 17.245 1.00 0.00 H new ATOM 1606 N HIS A 106 9.573 9.806 16.801 1.00 0.00 N ATOM 1607 CA HIS A 106 10.112 9.575 18.168 1.00 0.00 C ATOM 1608 C HIS A 106 9.917 10.827 19.025 1.00 0.00 C ATOM 1609 O HIS A 106 10.148 11.940 18.588 1.00 0.00 O ATOM 1610 CB HIS A 106 11.599 9.237 18.076 1.00 0.00 C ATOM 1611 CG HIS A 106 11.763 7.944 17.324 1.00 0.00 C ATOM 1612 ND1 HIS A 106 11.250 6.745 17.796 1.00 0.00 N ATOM 1613 CD2 HIS A 106 12.375 7.644 16.132 1.00 0.00 C ATOM 1614 CE1 HIS A 106 11.559 5.790 16.902 1.00 0.00 C ATOM 1615 NE2 HIS A 106 12.245 6.284 15.868 1.00 0.00 N ATOM 0 H HIS A 106 10.276 9.906 16.069 1.00 0.00 H new ATOM 0 HA HIS A 106 9.578 8.745 18.630 1.00 0.00 H new ATOM 0 HB2 HIS A 106 12.136 10.038 17.569 1.00 0.00 H new ATOM 0 HB3 HIS A 106 12.027 9.149 19.074 1.00 0.00 H new ATOM 0 HD2 HIS A 106 12.880 8.356 15.496 1.00 0.00 H new ATOM 0 HE1 HIS A 106 11.286 4.750 17.007 1.00 0.00 H new ATOM 0 HE2 HIS A 106 12.598 5.774 15.058 1.00 0.00 H new ATOM 1623 N HIS A 107 9.487 10.647 20.248 1.00 0.00 N ATOM 1624 CA HIS A 107 9.261 11.810 21.149 1.00 0.00 C ATOM 1625 C HIS A 107 10.562 12.173 21.869 1.00 0.00 C ATOM 1626 O HIS A 107 11.152 11.365 22.564 1.00 0.00 O ATOM 1627 CB HIS A 107 8.191 11.442 22.178 1.00 0.00 C ATOM 1628 CG HIS A 107 6.857 11.313 21.492 1.00 0.00 C ATOM 1629 ND1 HIS A 107 6.462 10.149 20.849 1.00 0.00 N ATOM 1630 CD2 HIS A 107 5.814 12.193 21.344 1.00 0.00 C ATOM 1631 CE1 HIS A 107 5.230 10.358 20.349 1.00 0.00 C ATOM 1632 NE2 HIS A 107 4.788 11.589 20.623 1.00 0.00 N ATOM 0 H HIS A 107 9.282 9.737 20.661 1.00 0.00 H new ATOM 0 HA HIS A 107 8.931 12.667 20.562 1.00 0.00 H new ATOM 0 HB2 HIS A 107 8.451 10.504 22.669 1.00 0.00 H new ATOM 0 HB3 HIS A 107 8.140 12.205 22.954 1.00 0.00 H new ATOM 0 HD2 HIS A 107 5.793 13.202 21.729 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.668 9.621 19.794 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.891 11.998 20.360 1.00 0.00 H new ATOM 1640 N HIS A 108 11.008 13.390 21.710 1.00 0.00 N ATOM 1641 CA HIS A 108 12.262 13.831 22.377 1.00 0.00 C ATOM 1642 C HIS A 108 12.260 15.357 22.476 1.00 0.00 C ATOM 1643 O HIS A 108 12.318 15.859 23.586 1.00 0.00 O ATOM 1644 CB HIS A 108 13.472 13.373 21.555 1.00 0.00 C ATOM 1645 CG HIS A 108 13.709 11.904 21.774 1.00 0.00 C ATOM 1646 ND1 HIS A 108 13.046 10.928 21.048 1.00 0.00 N ATOM 1647 CD2 HIS A 108 14.538 11.231 22.636 1.00 0.00 C ATOM 1648 CE1 HIS A 108 13.483 9.732 21.482 1.00 0.00 C ATOM 1649 NE2 HIS A 108 14.395 9.860 22.450 1.00 0.00 N ATOM 1650 OXT HIS A 108 12.195 15.995 21.439 1.00 0.00 O ATOM 0 H HIS A 108 10.551 14.102 21.141 1.00 0.00 H new ATOM 0 HA HIS A 108 12.322 13.395 23.374 1.00 0.00 H new ATOM 0 HB2 HIS A 108 13.300 13.569 20.497 1.00 0.00 H new ATOM 0 HB3 HIS A 108 14.356 13.941 21.845 1.00 0.00 H new ATOM 0 HD2 HIS A 108 15.201 11.696 23.351 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.139 8.784 21.095 1.00 0.00 H new ATOM 0 HE2 HIS A 108 14.882 9.113 22.946 1.00 0.00 H new TER 1658 HIS A 108