USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 76 GLN : amide:sc= 0.19 X(o=0.19,f=0) USER MOD Set 2.1: A 20 CYS SG : rot -143:sc= -1.41 USER MOD Set 2.2: A 43 CYS SG : rot 141:sc= 0.751 USER MOD Set 3.1: A 15 SER OG : rot -156:sc= 1.11 USER MOD Set 3.2: A 17 SER OG : rot -85:sc= 0.00748 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 92:sc= -0.0706 USER MOD Single : A 5 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.2!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= -0.406 (180deg=-0.695) USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0335) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.0876 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -9.58! C(o=-9.6!,f=-18!) USER MOD Single : A 42 CYS SG : rot -99:sc= -2.6! USER MOD Single : A 46 CYS SG : rot 180:sc= 0.0915 USER MOD Single : A 51 MET CE :methyl 162:sc= -0.426 (180deg=-0.886) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 53 MET CE :methyl -144:sc= -0.492 (180deg=-2.34!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -120:sc= -0.0103 (180deg=-0.749) USER MOD Single : A 60 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-3.4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.59) USER MOD Single : A 65 ASN : amide:sc= -5.26! C(o=-5.3!,f=-11!) USER MOD Single : A 70 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-5.1!) USER MOD Single : A 74 ASN : amide:sc= -0.283 K(o=-0.28,f=-2.8!) USER MOD Single : A 80 ASN : amide:sc= -0.481 X(o=-0.48,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0238) USER MOD Single : A 85 ASN : amide:sc= -2! C(o=-2!,f=-5.2!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0433 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.813 17.245 -4.486 1.00 0.00 N ATOM 2 CA MET A 1 5.229 16.333 -5.454 1.00 0.00 C ATOM 3 C MET A 1 5.472 14.876 -5.050 1.00 0.00 C ATOM 4 O MET A 1 6.387 14.232 -5.558 1.00 0.00 O ATOM 5 CB MET A 1 5.842 16.589 -6.832 1.00 0.00 C ATOM 6 CG MET A 1 4.946 17.505 -7.668 1.00 0.00 C ATOM 7 SD MET A 1 5.814 18.034 -9.136 1.00 0.00 S ATOM 8 CE MET A 1 6.412 19.624 -8.587 1.00 0.00 C ATOM 0 H1 MET A 1 5.635 18.226 -4.782 1.00 0.00 H new ATOM 0 H2 MET A 1 5.384 17.082 -3.553 1.00 0.00 H new ATOM 0 H3 MET A 1 6.838 17.081 -4.429 1.00 0.00 H new ATOM 0 HA MET A 1 4.154 16.508 -5.487 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.826 17.043 -6.718 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.986 15.642 -7.352 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.032 16.979 -7.945 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.648 18.373 -7.079 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.980 20.096 -9.389 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.567 20.258 -8.320 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.055 19.490 -7.717 1.00 0.00 H new ATOM 16 N SER A 2 4.634 14.401 -4.140 1.00 0.00 N ATOM 17 CA SER A 2 4.745 13.034 -3.663 1.00 0.00 C ATOM 18 C SER A 2 3.426 12.292 -3.887 1.00 0.00 C ATOM 19 O SER A 2 2.351 12.856 -3.690 1.00 0.00 O ATOM 20 CB SER A 2 5.130 12.996 -2.182 1.00 0.00 C ATOM 21 OG SER A 2 4.925 14.255 -1.546 1.00 0.00 O ATOM 0 H SER A 2 3.876 14.939 -3.721 1.00 0.00 H new ATOM 0 HA SER A 2 5.534 12.538 -4.229 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.541 12.233 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.177 12.707 -2.087 1.00 0.00 H new ATOM 0 HG SER A 2 4.029 14.280 -1.150 1.00 0.00 H new ATOM 26 N GLU A 3 3.551 11.037 -4.296 1.00 0.00 N ATOM 27 CA GLU A 3 2.382 10.213 -4.548 1.00 0.00 C ATOM 28 C GLU A 3 2.626 8.782 -4.063 1.00 0.00 C ATOM 29 O GLU A 3 3.676 8.201 -4.337 1.00 0.00 O ATOM 30 CB GLU A 3 2.008 10.232 -6.031 1.00 0.00 C ATOM 31 CG GLU A 3 0.773 9.369 -6.296 1.00 0.00 C ATOM 32 CD GLU A 3 -0.094 9.977 -7.402 1.00 0.00 C ATOM 33 OE1 GLU A 3 0.394 10.195 -8.522 1.00 0.00 O ATOM 34 OE2 GLU A 3 -1.315 10.221 -7.065 1.00 0.00 O ATOM 0 H GLU A 3 4.444 10.572 -4.459 1.00 0.00 H new ATOM 0 HA GLU A 3 1.543 10.627 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.815 11.257 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.845 9.867 -6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.082 8.364 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.188 9.274 -5.381 1.00 0.00 H new ATOM 40 N VAL A 4 1.641 8.256 -3.351 1.00 0.00 N ATOM 41 CA VAL A 4 1.735 6.906 -2.824 1.00 0.00 C ATOM 42 C VAL A 4 0.672 6.028 -3.488 1.00 0.00 C ATOM 43 O VAL A 4 -0.459 6.467 -3.692 1.00 0.00 O ATOM 44 CB VAL A 4 1.625 6.929 -1.299 1.00 0.00 C ATOM 45 CG1 VAL A 4 0.312 7.575 -0.854 1.00 0.00 C ATOM 46 CG2 VAL A 4 1.767 5.521 -0.717 1.00 0.00 C ATOM 0 H VAL A 4 0.772 8.741 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 4 2.707 6.472 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 4 2.445 7.535 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.259 7.579 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.267 8.600 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.527 7.008 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.685 5.566 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.978 4.882 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.739 5.111 -0.991 1.00 0.00 H new ATOM 56 N ASN A 5 1.072 4.806 -3.805 1.00 0.00 N ATOM 57 CA ASN A 5 0.166 3.864 -4.441 1.00 0.00 C ATOM 58 C ASN A 5 0.163 2.554 -3.651 1.00 0.00 C ATOM 59 O ASN A 5 1.179 1.864 -3.582 1.00 0.00 O ATOM 60 CB ASN A 5 0.611 3.553 -5.872 1.00 0.00 C ATOM 61 CG ASN A 5 0.307 4.724 -6.807 1.00 0.00 C ATOM 62 OD1 ASN A 5 -0.704 4.761 -7.489 1.00 0.00 O ATOM 63 ND2 ASN A 5 1.236 5.676 -6.801 1.00 0.00 N ATOM 0 H ASN A 5 2.011 4.446 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.827 4.312 -4.462 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.680 3.340 -5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.103 2.657 -6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.126 6.500 -7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.059 5.582 -6.206 1.00 0.00 H new ATOM 69 N ILE A 6 -0.991 2.249 -3.075 1.00 0.00 N ATOM 70 CA ILE A 6 -1.138 1.034 -2.292 1.00 0.00 C ATOM 71 C ILE A 6 -2.469 0.366 -2.643 1.00 0.00 C ATOM 72 O ILE A 6 -3.534 0.936 -2.410 1.00 0.00 O ATOM 73 CB ILE A 6 -0.975 1.334 -0.801 1.00 0.00 C ATOM 74 CG1 ILE A 6 -1.216 0.078 0.040 1.00 0.00 C ATOM 75 CG2 ILE A 6 -1.878 2.493 -0.372 1.00 0.00 C ATOM 76 CD1 ILE A 6 0.026 -0.279 0.859 1.00 0.00 C ATOM 0 H ILE A 6 -1.832 2.822 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.349 0.324 -2.538 1.00 0.00 H new ATOM 0 HB ILE A 6 0.054 1.647 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.062 0.240 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.479 -0.756 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.742 2.685 0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.617 3.387 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.919 2.233 -0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.171 -1.175 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.864 -0.464 0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.271 0.547 1.527 1.00 0.00 H new ATOM 87 N VAL A 7 -2.366 -0.832 -3.198 1.00 0.00 N ATOM 88 CA VAL A 7 -3.548 -1.585 -3.583 1.00 0.00 C ATOM 89 C VAL A 7 -3.305 -3.074 -3.330 1.00 0.00 C ATOM 90 O VAL A 7 -2.335 -3.642 -3.831 1.00 0.00 O ATOM 91 CB VAL A 7 -3.913 -1.277 -5.036 1.00 0.00 C ATOM 92 CG1 VAL A 7 -2.695 -1.423 -5.951 1.00 0.00 C ATOM 93 CG2 VAL A 7 -5.065 -2.163 -5.513 1.00 0.00 C ATOM 0 H VAL A 7 -1.481 -1.301 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.404 -1.289 -2.977 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.246 -0.240 -5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.983 -1.198 -6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.916 -0.731 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.318 -2.444 -5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.304 -1.923 -6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.772 -3.210 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.941 -1.988 -4.889 1.00 0.00 H new ATOM 103 N VAL A 8 -4.202 -3.664 -2.555 1.00 0.00 N ATOM 104 CA VAL A 8 -4.097 -5.076 -2.229 1.00 0.00 C ATOM 105 C VAL A 8 -5.437 -5.760 -2.508 1.00 0.00 C ATOM 106 O VAL A 8 -6.452 -5.415 -1.903 1.00 0.00 O ATOM 107 CB VAL A 8 -3.628 -5.247 -0.784 1.00 0.00 C ATOM 108 CG1 VAL A 8 -3.866 -6.677 -0.295 1.00 0.00 C ATOM 109 CG2 VAL A 8 -2.156 -4.854 -0.635 1.00 0.00 C ATOM 0 H VAL A 8 -5.006 -3.190 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.348 -5.558 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.219 -4.577 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.523 -6.771 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.930 -6.907 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.314 -7.374 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.848 -4.985 0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.544 -5.486 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.027 -3.811 -0.923 1.00 0.00 H new ATOM 119 N ASN A 9 -5.399 -6.717 -3.423 1.00 0.00 N ATOM 120 CA ASN A 9 -6.597 -7.451 -3.790 1.00 0.00 C ATOM 121 C ASN A 9 -6.389 -8.938 -3.494 1.00 0.00 C ATOM 122 O ASN A 9 -5.588 -9.599 -4.152 1.00 0.00 O ATOM 123 CB ASN A 9 -6.900 -7.304 -5.282 1.00 0.00 C ATOM 124 CG ASN A 9 -8.015 -6.283 -5.517 1.00 0.00 C ATOM 125 OD1 ASN A 9 -9.098 -6.603 -5.980 1.00 0.00 O ATOM 126 ND2 ASN A 9 -7.692 -5.040 -5.173 1.00 0.00 N ATOM 0 H ASN A 9 -4.556 -7.001 -3.922 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.429 -7.047 -3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.999 -6.992 -5.811 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.193 -8.270 -5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.369 -4.286 -5.291 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.768 -4.840 -4.791 1.00 0.00 H new ATOM 132 N GLY A 10 -7.124 -9.420 -2.503 1.00 0.00 N ATOM 133 CA GLY A 10 -7.029 -10.817 -2.112 1.00 0.00 C ATOM 134 C GLY A 10 -5.781 -11.066 -1.262 1.00 0.00 C ATOM 135 O GLY A 10 -4.928 -11.872 -1.627 1.00 0.00 O ATOM 0 H GLY A 10 -7.788 -8.869 -1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.919 -11.102 -1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.999 -11.446 -3.002 1.00 0.00 H new ATOM 139 N ARG A 11 -5.715 -10.357 -0.145 1.00 0.00 N ATOM 140 CA ARG A 11 -4.586 -10.490 0.759 1.00 0.00 C ATOM 141 C ARG A 11 -3.306 -10.776 -0.028 1.00 0.00 C ATOM 142 O ARG A 11 -2.667 -11.808 0.173 1.00 0.00 O ATOM 143 CB ARG A 11 -4.818 -11.617 1.769 1.00 0.00 C ATOM 144 CG ARG A 11 -3.720 -11.633 2.834 1.00 0.00 C ATOM 145 CD ARG A 11 -3.919 -12.798 3.807 1.00 0.00 C ATOM 146 NE ARG A 11 -3.250 -14.012 3.286 1.00 0.00 N ATOM 147 CZ ARG A 11 -1.927 -14.255 3.399 1.00 0.00 C ATOM 148 NH1 ARG A 11 -1.118 -13.369 4.017 1.00 0.00 N ATOM 149 NH2 ARG A 11 -1.437 -15.373 2.896 1.00 0.00 N ATOM 0 H ARG A 11 -6.425 -9.689 0.154 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.482 -9.549 1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.790 -11.489 2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.841 -12.576 1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.745 -11.717 2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.726 -10.691 3.382 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.512 -12.540 4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.983 -12.990 3.945 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.825 -14.708 2.812 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.505 -12.508 4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.119 -13.560 4.098 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.056 -16.037 2.431 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.440 -15.573 2.972 1.00 0.00 H new ATOM 159 N GLU A 12 -2.969 -9.845 -0.908 1.00 0.00 N ATOM 160 CA GLU A 12 -1.777 -9.985 -1.727 1.00 0.00 C ATOM 161 C GLU A 12 -0.732 -8.943 -1.324 1.00 0.00 C ATOM 162 O GLU A 12 -1.072 -7.797 -1.034 1.00 0.00 O ATOM 163 CB GLU A 12 -2.118 -9.874 -3.214 1.00 0.00 C ATOM 164 CG GLU A 12 -2.881 -8.581 -3.507 1.00 0.00 C ATOM 165 CD GLU A 12 -3.049 -8.372 -5.014 1.00 0.00 C ATOM 166 OE1 GLU A 12 -3.325 -7.248 -5.457 1.00 0.00 O ATOM 167 OE2 GLU A 12 -2.881 -9.431 -5.732 1.00 0.00 O ATOM 0 H GLU A 12 -3.501 -8.990 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.357 -10.976 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.202 -9.901 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.718 -10.731 -3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.860 -8.617 -3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.347 -7.734 -3.076 1.00 0.00 H new ATOM 173 N ALA A 13 0.520 -9.377 -1.319 1.00 0.00 N ATOM 174 CA ALA A 13 1.617 -8.496 -0.957 1.00 0.00 C ATOM 175 C ALA A 13 2.745 -8.646 -1.980 1.00 0.00 C ATOM 176 O ALA A 13 3.028 -9.751 -2.439 1.00 0.00 O ATOM 177 CB ALA A 13 2.077 -8.811 0.468 1.00 0.00 C ATOM 0 H ALA A 13 0.799 -10.328 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 13 1.294 -7.455 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.900 -8.150 0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.248 -8.661 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.411 -9.847 0.522 1.00 0.00 H new ATOM 183 N GLY A 14 3.358 -7.518 -2.306 1.00 0.00 N ATOM 184 CA GLY A 14 4.449 -7.510 -3.266 1.00 0.00 C ATOM 185 C GLY A 14 5.772 -7.146 -2.590 1.00 0.00 C ATOM 186 O GLY A 14 6.827 -7.179 -3.222 1.00 0.00 O ATOM 0 H GLY A 14 3.120 -6.603 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.533 -8.491 -3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.234 -6.795 -4.060 1.00 0.00 H new ATOM 190 N SER A 15 5.674 -6.807 -1.313 1.00 0.00 N ATOM 191 CA SER A 15 6.849 -6.437 -0.544 1.00 0.00 C ATOM 192 C SER A 15 6.881 -7.216 0.772 1.00 0.00 C ATOM 193 O SER A 15 5.988 -8.018 1.044 1.00 0.00 O ATOM 194 CB SER A 15 6.878 -4.932 -0.271 1.00 0.00 C ATOM 195 OG SER A 15 6.311 -4.609 0.997 1.00 0.00 O ATOM 0 H SER A 15 4.798 -6.781 -0.791 1.00 0.00 H new ATOM 0 HA SER A 15 7.733 -6.690 -1.129 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.908 -4.576 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.331 -4.410 -1.056 1.00 0.00 H new ATOM 0 HG SER A 15 5.997 -3.681 0.988 1.00 0.00 H new ATOM 200 N LYS A 16 7.917 -6.954 1.555 1.00 0.00 N ATOM 201 CA LYS A 16 8.076 -7.620 2.836 1.00 0.00 C ATOM 202 C LYS A 16 7.299 -6.851 3.906 1.00 0.00 C ATOM 203 O LYS A 16 7.438 -7.126 5.097 1.00 0.00 O ATOM 204 CB LYS A 16 9.559 -7.804 3.165 1.00 0.00 C ATOM 205 CG LYS A 16 10.179 -8.905 2.303 1.00 0.00 C ATOM 206 CD LYS A 16 11.691 -8.990 2.525 1.00 0.00 C ATOM 207 CE LYS A 16 12.319 -10.050 1.619 1.00 0.00 C ATOM 208 NZ LYS A 16 11.304 -11.044 1.202 1.00 0.00 N ATOM 0 H LYS A 16 8.655 -6.289 1.326 1.00 0.00 H new ATOM 0 HA LYS A 16 7.656 -8.625 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.091 -6.867 3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.673 -8.055 4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.718 -9.863 2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.973 -8.708 1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.147 -8.020 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.896 -9.230 3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.753 -9.574 0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.132 -10.551 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.766 -11.811 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.837 -11.437 2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.595 -10.583 0.596 1.00 0.00 H new ATOM 217 N SER A 17 6.499 -5.902 3.443 1.00 0.00 N ATOM 218 CA SER A 17 5.700 -5.090 4.346 1.00 0.00 C ATOM 219 C SER A 17 5.049 -5.977 5.409 1.00 0.00 C ATOM 220 O SER A 17 4.767 -5.519 6.516 1.00 0.00 O ATOM 221 CB SER A 17 4.632 -4.305 3.582 1.00 0.00 C ATOM 222 OG SER A 17 3.819 -5.155 2.777 1.00 0.00 O ATOM 0 H SER A 17 6.387 -5.677 2.455 1.00 0.00 H new ATOM 0 HA SER A 17 6.359 -4.372 4.835 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.003 -3.765 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.113 -3.559 2.950 1.00 0.00 H new ATOM 0 HG SER A 17 4.257 -5.304 1.913 1.00 0.00 H new ATOM 227 N LYS A 18 4.828 -7.228 5.035 1.00 0.00 N ATOM 228 CA LYS A 18 4.215 -8.183 5.943 1.00 0.00 C ATOM 229 C LYS A 18 4.967 -8.170 7.275 1.00 0.00 C ATOM 230 O LYS A 18 4.368 -8.355 8.333 1.00 0.00 O ATOM 231 CB LYS A 18 4.137 -9.566 5.294 1.00 0.00 C ATOM 232 CG LYS A 18 2.690 -9.937 4.964 1.00 0.00 C ATOM 233 CD LYS A 18 2.602 -10.659 3.619 1.00 0.00 C ATOM 234 CE LYS A 18 1.328 -11.502 3.531 1.00 0.00 C ATOM 235 NZ LYS A 18 0.829 -11.544 2.137 1.00 0.00 N ATOM 0 H LYS A 18 5.062 -7.603 4.116 1.00 0.00 H new ATOM 0 HA LYS A 18 3.185 -7.898 6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.736 -9.578 4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.563 -10.311 5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.286 -10.575 5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.077 -9.036 4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.616 -9.930 2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.475 -11.298 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.530 -12.514 3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.563 -11.084 4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.004 -12.174 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.554 -10.587 1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.579 -11.900 1.510 1.00 0.00 H new ATOM 244 N GLY A 19 6.271 -7.951 7.179 1.00 0.00 N ATOM 245 CA GLY A 19 7.112 -7.912 8.364 1.00 0.00 C ATOM 246 C GLY A 19 7.181 -6.496 8.940 1.00 0.00 C ATOM 247 O GLY A 19 6.272 -6.066 9.649 1.00 0.00 O ATOM 0 H GLY A 19 6.765 -7.799 6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.719 -8.596 9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.116 -8.256 8.114 1.00 0.00 H new ATOM 251 N CYS A 20 8.268 -5.812 8.616 1.00 0.00 N ATOM 252 CA CYS A 20 8.467 -4.454 9.094 1.00 0.00 C ATOM 253 C CYS A 20 8.663 -3.542 7.880 1.00 0.00 C ATOM 254 O CYS A 20 8.843 -4.021 6.762 1.00 0.00 O ATOM 255 CB CYS A 20 9.641 -4.364 10.070 1.00 0.00 C ATOM 256 SG CYS A 20 9.761 -5.906 11.049 1.00 0.00 S ATOM 0 H CYS A 20 9.020 -6.172 8.029 1.00 0.00 H new ATOM 0 HA CYS A 20 7.589 -4.130 9.653 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.568 -4.198 9.522 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.507 -3.511 10.735 1.00 0.00 H new ATOM 0 HG CYS A 20 10.120 -5.621 12.265 1.00 0.00 H new ATOM 261 N ALA A 21 8.621 -2.244 8.143 1.00 0.00 N ATOM 262 CA ALA A 21 8.791 -1.261 7.086 1.00 0.00 C ATOM 263 C ALA A 21 10.213 -1.358 6.530 1.00 0.00 C ATOM 264 O ALA A 21 10.404 -1.453 5.318 1.00 0.00 O ATOM 265 CB ALA A 21 8.472 0.133 7.630 1.00 0.00 C ATOM 0 H ALA A 21 8.472 -1.850 9.072 1.00 0.00 H new ATOM 0 HA ALA A 21 8.101 -1.457 6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.599 0.871 6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.442 0.158 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.147 0.365 8.454 1.00 0.00 H new ATOM 271 N LEU A 22 11.174 -1.330 7.442 1.00 0.00 N ATOM 272 CA LEU A 22 12.573 -1.414 7.058 1.00 0.00 C ATOM 273 C LEU A 22 12.845 -2.784 6.433 1.00 0.00 C ATOM 274 O LEU A 22 13.320 -2.871 5.301 1.00 0.00 O ATOM 275 CB LEU A 22 13.476 -1.092 8.250 1.00 0.00 C ATOM 276 CG LEU A 22 14.972 -1.341 8.044 1.00 0.00 C ATOM 277 CD1 LEU A 22 15.297 -2.833 8.128 1.00 0.00 C ATOM 278 CD2 LEU A 22 15.456 -0.721 6.731 1.00 0.00 C ATOM 0 H LEU A 22 11.011 -1.250 8.446 1.00 0.00 H new ATOM 0 HA LEU A 22 12.805 -0.666 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.335 -0.044 8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.143 -1.684 9.103 1.00 0.00 H new ATOM 0 HG LEU A 22 15.514 -0.848 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.366 -2.981 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.012 -3.213 9.109 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.745 -3.370 7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.522 -0.913 6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 22 14.910 -1.163 5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.281 0.355 6.750 1.00 0.00 H new ATOM 289 N CYS A 23 12.531 -3.820 7.197 1.00 0.00 N ATOM 290 CA CYS A 23 12.736 -5.182 6.732 1.00 0.00 C ATOM 291 C CYS A 23 11.481 -5.994 7.057 1.00 0.00 C ATOM 292 O CYS A 23 10.589 -5.512 7.755 1.00 0.00 O ATOM 293 CB CYS A 23 13.993 -5.804 7.343 1.00 0.00 C ATOM 294 SG CYS A 23 14.652 -7.101 6.231 1.00 0.00 S ATOM 0 H CYS A 23 12.136 -3.744 8.134 1.00 0.00 H new ATOM 0 HA CYS A 23 12.898 -5.181 5.654 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.748 -5.034 7.505 1.00 0.00 H new ATOM 0 HB3 CYS A 23 13.760 -6.233 8.318 1.00 0.00 H new ATOM 0 HG CYS A 23 15.721 -7.622 6.757 1.00 0.00 H new ATOM 299 N GLY A 24 11.452 -7.212 6.536 1.00 0.00 N ATOM 300 CA GLY A 24 10.321 -8.095 6.763 1.00 0.00 C ATOM 301 C GLY A 24 10.643 -9.523 6.317 1.00 0.00 C ATOM 302 O GLY A 24 10.396 -9.890 5.170 1.00 0.00 O ATOM 0 H GLY A 24 12.193 -7.608 5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.058 -8.091 7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.452 -7.727 6.217 1.00 0.00 H new ATOM 306 N ALA A 25 11.189 -10.291 7.249 1.00 0.00 N ATOM 307 CA ALA A 25 11.548 -11.671 6.968 1.00 0.00 C ATOM 308 C ALA A 25 10.366 -12.580 7.311 1.00 0.00 C ATOM 309 O ALA A 25 10.277 -13.701 6.814 1.00 0.00 O ATOM 310 CB ALA A 25 12.813 -12.039 7.745 1.00 0.00 C ATOM 0 H ALA A 25 11.392 -9.983 8.200 1.00 0.00 H new ATOM 0 HA ALA A 25 11.768 -11.802 5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.082 -13.074 7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.629 -11.383 7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.631 -11.922 8.813 1.00 0.00 H new ATOM 316 N THR A 26 9.489 -12.062 8.158 1.00 0.00 N ATOM 317 CA THR A 26 8.317 -12.813 8.573 1.00 0.00 C ATOM 318 C THR A 26 7.134 -12.509 7.653 1.00 0.00 C ATOM 319 O THR A 26 6.983 -11.382 7.183 1.00 0.00 O ATOM 320 CB THR A 26 8.043 -12.488 10.043 1.00 0.00 C ATOM 321 OG1 THR A 26 9.051 -13.205 10.751 1.00 0.00 O ATOM 322 CG2 THR A 26 6.732 -13.098 10.543 1.00 0.00 C ATOM 0 H THR A 26 9.567 -11.131 8.568 1.00 0.00 H new ATOM 0 HA THR A 26 8.486 -13.887 8.488 1.00 0.00 H new ATOM 0 HB THR A 26 8.014 -11.407 10.176 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.949 -13.049 11.713 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.586 -12.837 11.591 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.902 -12.710 9.953 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.773 -14.182 10.441 1.00 0.00 H new ATOM 330 N TRP A 27 6.324 -13.532 7.423 1.00 0.00 N ATOM 331 CA TRP A 27 5.159 -13.388 6.566 1.00 0.00 C ATOM 332 C TRP A 27 4.020 -14.209 7.175 1.00 0.00 C ATOM 333 O TRP A 27 4.203 -15.380 7.503 1.00 0.00 O ATOM 334 CB TRP A 27 5.483 -13.790 5.126 1.00 0.00 C ATOM 335 CG TRP A 27 5.565 -15.301 4.906 1.00 0.00 C ATOM 336 CD1 TRP A 27 6.655 -16.080 4.923 1.00 0.00 C ATOM 337 CD2 TRP A 27 4.462 -16.191 4.632 1.00 0.00 C ATOM 338 NE1 TRP A 27 6.338 -17.401 4.682 1.00 0.00 N ATOM 339 CE2 TRP A 27 4.962 -17.471 4.499 1.00 0.00 C ATOM 340 CE3 TRP A 27 3.088 -15.924 4.501 1.00 0.00 C ATOM 341 CZ2 TRP A 27 4.157 -18.583 4.229 1.00 0.00 C ATOM 342 CZ3 TRP A 27 2.297 -17.046 4.231 1.00 0.00 C ATOM 343 CH2 TRP A 27 2.784 -18.341 4.094 1.00 0.00 C ATOM 0 H TRP A 27 6.452 -14.465 7.816 1.00 0.00 H new ATOM 0 HA TRP A 27 4.847 -12.345 6.512 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.721 -13.378 4.464 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.433 -13.339 4.839 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.657 -15.719 5.103 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.993 -18.182 4.645 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.675 -14.931 4.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.572 -19.575 4.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.233 -16.896 4.121 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.107 -19.156 3.885 1.00 0.00 H new ATOM 353 N GLY A 28 2.871 -13.562 7.306 1.00 0.00 N ATOM 354 CA GLY A 28 1.704 -14.219 7.869 1.00 0.00 C ATOM 355 C GLY A 28 0.414 -13.577 7.355 1.00 0.00 C ATOM 356 O GLY A 28 0.453 -12.552 6.676 1.00 0.00 O ATOM 0 H GLY A 28 2.724 -12.591 7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.717 -15.277 7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.737 -14.158 8.957 1.00 0.00 H new ATOM 360 N ASP A 29 -0.700 -14.207 7.699 1.00 0.00 N ATOM 361 CA ASP A 29 -2.000 -13.709 7.280 1.00 0.00 C ATOM 362 C ASP A 29 -2.748 -13.163 8.499 1.00 0.00 C ATOM 363 O ASP A 29 -3.607 -12.292 8.364 1.00 0.00 O ATOM 364 CB ASP A 29 -2.847 -14.828 6.670 1.00 0.00 C ATOM 365 CG ASP A 29 -2.555 -16.229 7.210 1.00 0.00 C ATOM 366 OD1 ASP A 29 -1.603 -16.895 6.775 1.00 0.00 O ATOM 367 OD2 ASP A 29 -3.362 -16.639 8.128 1.00 0.00 O ATOM 0 H ASP A 29 -0.730 -15.057 8.262 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.839 -12.930 6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.899 -14.601 6.842 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.694 -14.832 5.591 1.00 0.00 H new ATOM 372 N TYR A 30 -2.394 -13.695 9.659 1.00 0.00 N ATOM 373 CA TYR A 30 -3.021 -13.271 10.899 1.00 0.00 C ATOM 374 C TYR A 30 -2.825 -11.771 11.128 1.00 0.00 C ATOM 375 O TYR A 30 -3.589 -11.146 11.862 1.00 0.00 O ATOM 376 CB TYR A 30 -2.312 -14.041 12.015 1.00 0.00 C ATOM 377 CG TYR A 30 -2.190 -15.544 11.753 1.00 0.00 C ATOM 378 CD1 TYR A 30 -3.302 -16.354 11.853 1.00 0.00 C ATOM 379 CD2 TYR A 30 -0.967 -16.088 11.417 1.00 0.00 C ATOM 380 CE1 TYR A 30 -3.187 -17.769 11.606 1.00 0.00 C ATOM 381 CE2 TYR A 30 -0.852 -17.502 11.170 1.00 0.00 C ATOM 382 CZ TYR A 30 -1.968 -18.272 11.277 1.00 0.00 C ATOM 383 OH TYR A 30 -1.860 -19.608 11.044 1.00 0.00 O ATOM 0 H TYR A 30 -1.681 -14.416 9.767 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.093 -13.465 10.872 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.314 -13.624 12.153 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.853 -13.888 12.949 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.259 -15.928 12.116 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.097 -15.453 11.339 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.049 -18.415 11.681 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.099 -17.941 10.906 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.932 -19.827 10.818 1.00 0.00 H new ATOM 392 N HIS A 31 -1.796 -11.236 10.485 1.00 0.00 N ATOM 393 CA HIS A 31 -1.490 -9.821 10.610 1.00 0.00 C ATOM 394 C HIS A 31 -1.945 -9.085 9.348 1.00 0.00 C ATOM 395 O HIS A 31 -2.112 -9.697 8.294 1.00 0.00 O ATOM 396 CB HIS A 31 -0.006 -9.611 10.915 1.00 0.00 C ATOM 397 CG HIS A 31 0.923 -10.380 10.005 1.00 0.00 C ATOM 398 ND1 HIS A 31 2.144 -10.877 10.427 1.00 0.00 N ATOM 399 CD2 HIS A 31 0.797 -10.730 8.693 1.00 0.00 C ATOM 400 CE1 HIS A 31 2.718 -11.497 9.407 1.00 0.00 C ATOM 401 NE2 HIS A 31 1.882 -11.404 8.333 1.00 0.00 N ATOM 0 H HIS A 31 -1.165 -11.757 9.877 1.00 0.00 H new ATOM 0 HA HIS A 31 -2.038 -9.400 11.453 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.223 -8.548 10.837 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.187 -9.904 11.947 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.535 -10.782 11.364 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.043 -10.498 8.055 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.679 -11.990 9.423 1.00 0.00 H new ATOM 408 N ALA A 32 -2.134 -7.782 9.498 1.00 0.00 N ATOM 409 CA ALA A 32 -2.567 -6.957 8.383 1.00 0.00 C ATOM 410 C ALA A 32 -1.628 -5.755 8.249 1.00 0.00 C ATOM 411 O ALA A 32 -1.247 -5.146 9.247 1.00 0.00 O ATOM 412 CB ALA A 32 -4.023 -6.536 8.594 1.00 0.00 C ATOM 0 H ALA A 32 -1.995 -7.278 10.374 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.521 -7.519 7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.348 -5.917 7.758 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.653 -7.423 8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.107 -5.967 9.520 1.00 0.00 H new ATOM 418 N ASP A 33 -1.283 -5.451 7.007 1.00 0.00 N ATOM 419 CA ASP A 33 -0.395 -4.334 6.729 1.00 0.00 C ATOM 420 C ASP A 33 -1.230 -3.090 6.417 1.00 0.00 C ATOM 421 O ASP A 33 -2.422 -3.195 6.130 1.00 0.00 O ATOM 422 CB ASP A 33 0.492 -4.624 5.517 1.00 0.00 C ATOM 423 CG ASP A 33 -0.257 -4.814 4.197 1.00 0.00 C ATOM 424 OD1 ASP A 33 0.181 -4.338 3.139 1.00 0.00 O ATOM 425 OD2 ASP A 33 -1.352 -5.492 4.284 1.00 0.00 O ATOM 0 H ASP A 33 -1.602 -5.958 6.182 1.00 0.00 H new ATOM 0 HA ASP A 33 0.233 -4.176 7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.201 -3.804 5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.075 -5.523 5.719 1.00 0.00 H new ATOM 430 N PHE A 34 -0.572 -1.943 6.485 1.00 0.00 N ATOM 431 CA PHE A 34 -1.238 -0.680 6.213 1.00 0.00 C ATOM 432 C PHE A 34 -0.794 -0.104 4.867 1.00 0.00 C ATOM 433 O PHE A 34 0.027 -0.701 4.173 1.00 0.00 O ATOM 434 CB PHE A 34 -0.836 0.287 7.328 1.00 0.00 C ATOM 435 CG PHE A 34 -0.923 -0.312 8.733 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.089 -0.860 9.169 1.00 0.00 C ATOM 437 CD2 PHE A 34 0.167 -0.296 9.547 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.169 -1.415 10.473 1.00 0.00 C ATOM 439 CE2 PHE A 34 0.086 -0.853 10.851 1.00 0.00 C ATOM 440 CZ PHE A 34 -1.081 -1.400 11.286 1.00 0.00 C ATOM 0 H PHE A 34 0.416 -1.861 6.725 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.317 -0.829 6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.185 0.625 7.151 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.476 1.168 7.279 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.954 -0.873 8.523 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.093 0.140 9.202 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.095 -1.849 10.819 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.951 -0.842 11.497 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.142 -1.822 12.278 1.00 0.00 H new ATOM 449 N LEU A 35 -1.355 1.051 4.541 1.00 0.00 N ATOM 450 CA LEU A 35 -1.027 1.715 3.290 1.00 0.00 C ATOM 451 C LEU A 35 0.442 2.141 3.316 1.00 0.00 C ATOM 452 O LEU A 35 1.001 2.518 2.286 1.00 0.00 O ATOM 453 CB LEU A 35 -1.997 2.867 3.025 1.00 0.00 C ATOM 454 CG LEU A 35 -1.657 4.199 3.696 1.00 0.00 C ATOM 455 CD1 LEU A 35 -0.616 4.972 2.883 1.00 0.00 C ATOM 456 CD2 LEU A 35 -2.919 5.027 3.945 1.00 0.00 C ATOM 0 H LEU A 35 -2.034 1.544 5.121 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.147 1.030 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.052 3.029 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.991 2.561 3.352 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.214 3.987 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.392 5.915 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.295 4.379 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.009 5.173 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.648 5.968 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.413 5.231 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.596 4.472 4.595 1.00 0.00 H new ATOM 467 N GLY A 36 1.026 2.069 4.502 1.00 0.00 N ATOM 468 CA GLY A 36 2.420 2.443 4.675 1.00 0.00 C ATOM 469 C GLY A 36 3.350 1.318 4.218 1.00 0.00 C ATOM 470 O GLY A 36 4.567 1.415 4.367 1.00 0.00 O ATOM 0 H GLY A 36 0.560 1.757 5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.631 3.348 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.611 2.674 5.723 1.00 0.00 H new ATOM 474 N GLU A 37 2.741 0.276 3.670 1.00 0.00 N ATOM 475 CA GLU A 37 3.501 -0.866 3.190 1.00 0.00 C ATOM 476 C GLU A 37 4.376 -1.431 4.311 1.00 0.00 C ATOM 477 O GLU A 37 5.550 -1.729 4.097 1.00 0.00 O ATOM 478 CB GLU A 37 4.345 -0.491 1.971 1.00 0.00 C ATOM 479 CG GLU A 37 3.777 -1.117 0.696 1.00 0.00 C ATOM 480 CD GLU A 37 4.843 -1.189 -0.400 1.00 0.00 C ATOM 481 OE1 GLU A 37 5.837 -1.916 -0.251 1.00 0.00 O ATOM 482 OE2 GLU A 37 4.608 -0.459 -1.436 1.00 0.00 O ATOM 0 H GLU A 37 1.731 0.199 3.548 1.00 0.00 H new ATOM 0 HA GLU A 37 2.799 -1.640 2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.376 0.593 1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.372 -0.826 2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.404 -2.118 0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.928 -0.530 0.345 1.00 0.00 H new ATOM 488 N ASP A 38 3.771 -1.561 5.482 1.00 0.00 N ATOM 489 CA ASP A 38 4.481 -2.084 6.638 1.00 0.00 C ATOM 490 C ASP A 38 3.518 -2.914 7.489 1.00 0.00 C ATOM 491 O ASP A 38 2.322 -2.963 7.210 1.00 0.00 O ATOM 492 CB ASP A 38 5.026 -0.951 7.509 1.00 0.00 C ATOM 493 CG ASP A 38 4.123 0.279 7.611 1.00 0.00 C ATOM 494 OD1 ASP A 38 2.953 0.180 8.010 1.00 0.00 O ATOM 495 OD2 ASP A 38 4.672 1.390 7.254 1.00 0.00 O ATOM 0 H ASP A 38 2.797 -1.313 5.656 1.00 0.00 H new ATOM 0 HA ASP A 38 5.311 -2.692 6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.202 -1.338 8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.993 -0.641 7.112 1.00 0.00 H new ATOM 500 N LEU A 39 4.077 -3.546 8.511 1.00 0.00 N ATOM 501 CA LEU A 39 3.284 -4.372 9.405 1.00 0.00 C ATOM 502 C LEU A 39 3.832 -4.248 10.827 1.00 0.00 C ATOM 503 O LEU A 39 4.979 -4.607 11.088 1.00 0.00 O ATOM 504 CB LEU A 39 3.223 -5.812 8.893 1.00 0.00 C ATOM 505 CG LEU A 39 2.178 -6.715 9.550 1.00 0.00 C ATOM 506 CD1 LEU A 39 1.300 -7.394 8.497 1.00 0.00 C ATOM 507 CD2 LEU A 39 2.839 -7.729 10.485 1.00 0.00 C ATOM 0 H LEU A 39 5.070 -3.502 8.740 1.00 0.00 H new ATOM 0 HA LEU A 39 2.251 -4.023 9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.030 -5.787 7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.204 -6.267 9.030 1.00 0.00 H new ATOM 0 HG LEU A 39 1.525 -6.092 10.161 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.566 -8.030 8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.785 -6.635 7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.923 -8.001 7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.073 -8.358 10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.530 -8.351 9.917 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.385 -7.201 11.267 1.00 0.00 H new ATOM 518 N PHE A 40 2.986 -3.739 11.711 1.00 0.00 N ATOM 519 CA PHE A 40 3.372 -3.562 13.101 1.00 0.00 C ATOM 520 C PHE A 40 2.720 -4.624 13.990 1.00 0.00 C ATOM 521 O PHE A 40 2.484 -4.388 15.173 1.00 0.00 O ATOM 522 CB PHE A 40 2.876 -2.180 13.531 1.00 0.00 C ATOM 523 CG PHE A 40 1.531 -2.200 14.258 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.456 -2.804 13.684 1.00 0.00 C ATOM 525 CD2 PHE A 40 1.409 -1.614 15.480 1.00 0.00 C ATOM 526 CE1 PHE A 40 -0.793 -2.822 14.359 1.00 0.00 C ATOM 527 CE2 PHE A 40 0.160 -1.632 16.155 1.00 0.00 C ATOM 528 CZ PHE A 40 -0.915 -2.236 15.580 1.00 0.00 C ATOM 0 H PHE A 40 2.035 -3.444 11.492 1.00 0.00 H new ATOM 0 HA PHE A 40 4.453 -3.655 13.202 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.622 -1.724 14.182 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.791 -1.545 12.649 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.552 -3.270 12.715 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.263 -1.135 15.937 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.646 -3.301 13.903 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.063 -1.166 17.125 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.865 -2.250 16.093 1.00 0.00 H new ATOM 537 N PHE A 41 2.447 -5.770 13.383 1.00 0.00 N ATOM 538 CA PHE A 41 1.827 -6.869 14.105 1.00 0.00 C ATOM 539 C PHE A 41 2.829 -7.999 14.349 1.00 0.00 C ATOM 540 O PHE A 41 2.528 -8.957 15.060 1.00 0.00 O ATOM 541 CB PHE A 41 0.689 -7.393 13.228 1.00 0.00 C ATOM 542 CG PHE A 41 -0.704 -7.198 13.833 1.00 0.00 C ATOM 543 CD1 PHE A 41 -1.090 -5.967 14.266 1.00 0.00 C ATOM 544 CD2 PHE A 41 -1.554 -8.253 13.940 1.00 0.00 C ATOM 545 CE1 PHE A 41 -2.382 -5.786 14.827 1.00 0.00 C ATOM 546 CE2 PHE A 41 -2.845 -8.072 14.501 1.00 0.00 C ATOM 547 CZ PHE A 41 -3.232 -6.842 14.933 1.00 0.00 C ATOM 0 H PHE A 41 2.643 -5.961 12.401 1.00 0.00 H new ATOM 0 HA PHE A 41 1.468 -6.523 15.074 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.728 -6.890 12.262 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.847 -8.455 13.041 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.414 -5.128 14.183 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.247 -9.230 13.598 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.690 -4.809 15.170 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.520 -8.911 14.585 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.214 -6.704 15.360 1.00 0.00 H new ATOM 556 N CYS A 42 3.999 -7.851 13.745 1.00 0.00 N ATOM 557 CA CYS A 42 5.046 -8.847 13.888 1.00 0.00 C ATOM 558 C CYS A 42 6.170 -8.246 14.735 1.00 0.00 C ATOM 559 O CYS A 42 6.659 -8.883 15.666 1.00 0.00 O ATOM 560 CB CYS A 42 5.553 -9.333 12.528 1.00 0.00 C ATOM 561 SG CYS A 42 6.503 -8.004 11.703 1.00 0.00 S ATOM 0 H CYS A 42 4.245 -7.056 13.155 1.00 0.00 H new ATOM 0 HA CYS A 42 4.647 -9.728 14.390 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.182 -10.214 12.659 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.712 -9.632 11.903 1.00 0.00 H new ATOM 0 HG CYS A 42 5.745 -7.405 10.833 1.00 0.00 H new ATOM 566 N CYS A 43 6.546 -7.025 14.380 1.00 0.00 N ATOM 567 CA CYS A 43 7.602 -6.330 15.096 1.00 0.00 C ATOM 568 C CYS A 43 6.973 -5.176 15.880 1.00 0.00 C ATOM 569 O CYS A 43 7.071 -5.128 17.105 1.00 0.00 O ATOM 570 CB CYS A 43 8.701 -5.844 14.150 1.00 0.00 C ATOM 571 SG CYS A 43 10.018 -7.108 14.018 1.00 0.00 S ATOM 0 H CYS A 43 6.138 -6.500 13.606 1.00 0.00 H new ATOM 0 HA CYS A 43 8.087 -7.017 15.789 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.281 -5.641 13.165 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.120 -4.907 14.517 1.00 0.00 H new ATOM 0 HG CYS A 43 10.440 -7.169 12.790 1.00 0.00 H new ATOM 576 N ASP A 44 6.341 -4.277 15.141 1.00 0.00 N ATOM 577 CA ASP A 44 5.696 -3.127 15.751 1.00 0.00 C ATOM 578 C ASP A 44 6.735 -2.318 16.530 1.00 0.00 C ATOM 579 O ASP A 44 6.382 -1.467 17.345 1.00 0.00 O ATOM 580 CB ASP A 44 4.606 -3.564 16.732 1.00 0.00 C ATOM 581 CG ASP A 44 4.366 -5.073 16.803 1.00 0.00 C ATOM 582 OD1 ASP A 44 4.338 -5.764 15.773 1.00 0.00 O ATOM 583 OD2 ASP A 44 4.199 -5.544 17.993 1.00 0.00 O ATOM 0 H ASP A 44 6.262 -4.321 14.125 1.00 0.00 H new ATOM 0 HA ASP A 44 5.249 -2.530 14.956 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.870 -3.206 17.727 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.672 -3.076 16.455 1.00 0.00 H new ATOM 588 N ILE A 45 7.997 -2.612 16.252 1.00 0.00 N ATOM 589 CA ILE A 45 9.090 -1.923 16.916 1.00 0.00 C ATOM 590 C ILE A 45 9.705 -0.905 15.952 1.00 0.00 C ATOM 591 O ILE A 45 9.681 0.296 16.215 1.00 0.00 O ATOM 592 CB ILE A 45 10.099 -2.930 17.473 1.00 0.00 C ATOM 593 CG1 ILE A 45 9.594 -3.546 18.778 1.00 0.00 C ATOM 594 CG2 ILE A 45 11.479 -2.290 17.636 1.00 0.00 C ATOM 595 CD1 ILE A 45 9.321 -2.465 19.826 1.00 0.00 C ATOM 0 H ILE A 45 8.287 -3.318 15.576 1.00 0.00 H new ATOM 0 HA ILE A 45 8.722 -1.366 17.778 1.00 0.00 H new ATOM 0 HB ILE A 45 10.205 -3.742 16.754 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.682 -4.112 18.588 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.332 -4.251 19.161 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.177 -3.027 18.033 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.834 -1.939 16.667 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.410 -1.447 18.324 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.963 -2.931 20.744 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.241 -1.917 20.032 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.565 -1.776 19.450 1.00 0.00 H new ATOM 606 N CYS A 46 10.242 -1.424 14.857 1.00 0.00 N ATOM 607 CA CYS A 46 10.861 -0.575 13.854 1.00 0.00 C ATOM 608 C CYS A 46 9.824 -0.276 12.771 1.00 0.00 C ATOM 609 O CYS A 46 10.051 0.569 11.906 1.00 0.00 O ATOM 610 CB CYS A 46 12.125 -1.215 13.274 1.00 0.00 C ATOM 611 SG CYS A 46 11.737 -2.876 12.613 1.00 0.00 S ATOM 0 H CYS A 46 10.261 -2.421 14.643 1.00 0.00 H new ATOM 0 HA CYS A 46 11.184 0.359 14.313 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.531 -0.585 12.483 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.891 -1.291 14.046 1.00 0.00 H new ATOM 0 HG CYS A 46 12.815 -3.410 12.121 1.00 0.00 H new ATOM 616 N ALA A 47 8.708 -0.984 12.852 1.00 0.00 N ATOM 617 CA ALA A 47 7.634 -0.806 11.890 1.00 0.00 C ATOM 618 C ALA A 47 6.551 0.087 12.500 1.00 0.00 C ATOM 619 O ALA A 47 6.583 0.379 13.694 1.00 0.00 O ATOM 620 CB ALA A 47 7.094 -2.173 11.467 1.00 0.00 C ATOM 0 H ALA A 47 8.524 -1.684 13.571 1.00 0.00 H new ATOM 0 HA ALA A 47 8.002 -0.310 10.992 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.288 -2.038 10.745 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.895 -2.756 11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.713 -2.700 12.342 1.00 0.00 H new ATOM 626 N ALA A 48 5.619 0.495 11.651 1.00 0.00 N ATOM 627 CA ALA A 48 4.528 1.347 12.091 1.00 0.00 C ATOM 628 C ALA A 48 5.032 2.786 12.222 1.00 0.00 C ATOM 629 O ALA A 48 5.069 3.338 13.320 1.00 0.00 O ATOM 630 CB ALA A 48 3.957 0.809 13.405 1.00 0.00 C ATOM 0 H ALA A 48 5.597 0.251 10.661 1.00 0.00 H new ATOM 0 HA ALA A 48 3.720 1.344 11.359 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.138 1.449 13.735 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.587 -0.205 13.253 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.739 0.800 14.165 1.00 0.00 H new ATOM 636 N GLU A 49 5.407 3.352 11.084 1.00 0.00 N ATOM 637 CA GLU A 49 5.908 4.716 11.058 1.00 0.00 C ATOM 638 C GLU A 49 4.743 5.708 10.998 1.00 0.00 C ATOM 639 O GLU A 49 3.814 5.532 10.213 1.00 0.00 O ATOM 640 CB GLU A 49 6.867 4.926 9.884 1.00 0.00 C ATOM 641 CG GLU A 49 6.168 4.651 8.550 1.00 0.00 C ATOM 642 CD GLU A 49 7.084 4.989 7.372 1.00 0.00 C ATOM 643 OE1 GLU A 49 7.377 6.169 7.133 1.00 0.00 O ATOM 644 OE2 GLU A 49 7.497 3.972 6.693 1.00 0.00 O ATOM 0 H GLU A 49 5.374 2.892 10.174 1.00 0.00 H new ATOM 0 HA GLU A 49 6.466 4.895 11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.245 5.948 9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.728 4.266 9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.875 3.602 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.254 5.241 8.486 1.00 0.00 H new ATOM 650 N PHE A 50 4.833 6.727 11.840 1.00 0.00 N ATOM 651 CA PHE A 50 3.799 7.747 11.893 1.00 0.00 C ATOM 652 C PHE A 50 3.894 8.687 10.691 1.00 0.00 C ATOM 653 O PHE A 50 2.941 9.400 10.378 1.00 0.00 O ATOM 654 CB PHE A 50 4.029 8.550 13.174 1.00 0.00 C ATOM 655 CG PHE A 50 3.023 9.684 13.387 1.00 0.00 C ATOM 656 CD1 PHE A 50 1.689 9.439 13.278 1.00 0.00 C ATOM 657 CD2 PHE A 50 3.462 10.935 13.686 1.00 0.00 C ATOM 658 CE1 PHE A 50 0.755 10.490 13.475 1.00 0.00 C ATOM 659 CE2 PHE A 50 2.528 11.987 13.883 1.00 0.00 C ATOM 660 CZ PHE A 50 1.195 11.742 13.773 1.00 0.00 C ATOM 0 H PHE A 50 5.606 6.868 12.491 1.00 0.00 H new ATOM 0 HA PHE A 50 2.814 7.280 11.877 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.985 7.874 14.028 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.035 8.970 13.152 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.340 8.445 13.042 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.521 11.129 13.774 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.304 10.296 13.388 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.877 12.981 14.120 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.485 12.542 13.922 1.00 0.00 H new ATOM 669 N MET A 51 5.053 8.662 10.050 1.00 0.00 N ATOM 670 CA MET A 51 5.285 9.504 8.888 1.00 0.00 C ATOM 671 C MET A 51 4.109 9.430 7.914 1.00 0.00 C ATOM 672 O MET A 51 3.883 10.357 7.137 1.00 0.00 O ATOM 673 CB MET A 51 6.565 9.055 8.180 1.00 0.00 C ATOM 674 CG MET A 51 6.727 9.770 6.837 1.00 0.00 C ATOM 675 SD MET A 51 8.413 10.327 6.643 1.00 0.00 S ATOM 676 CE MET A 51 9.279 8.787 6.904 1.00 0.00 C ATOM 0 H MET A 51 5.842 8.072 10.313 1.00 0.00 H new ATOM 0 HA MET A 51 5.388 10.536 9.224 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.427 9.263 8.813 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.538 7.977 8.021 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.462 9.096 6.022 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.046 10.619 6.783 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.293 8.869 6.513 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.318 8.568 7.971 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.755 7.983 6.387 1.00 0.00 H new ATOM 684 N ASN A 52 3.391 8.319 7.986 1.00 0.00 N ATOM 685 CA ASN A 52 2.243 8.112 7.119 1.00 0.00 C ATOM 686 C ASN A 52 0.975 8.573 7.840 1.00 0.00 C ATOM 687 O ASN A 52 1.042 9.078 8.961 1.00 0.00 O ATOM 688 CB ASN A 52 2.077 6.632 6.769 1.00 0.00 C ATOM 689 CG ASN A 52 2.947 6.251 5.571 1.00 0.00 C ATOM 690 OD1 ASN A 52 4.049 5.744 5.707 1.00 0.00 O ATOM 691 ND2 ASN A 52 2.395 6.522 4.392 1.00 0.00 N ATOM 0 H ASN A 52 3.582 7.552 8.631 1.00 0.00 H new ATOM 0 HA ASN A 52 2.404 8.683 6.204 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.347 6.019 7.629 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.031 6.423 6.544 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.898 6.305 3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.469 6.947 4.348 1.00 0.00 H new ATOM 697 N MET A 53 -0.152 8.383 7.170 1.00 0.00 N ATOM 698 CA MET A 53 -1.433 8.773 7.733 1.00 0.00 C ATOM 699 C MET A 53 -2.039 7.634 8.557 1.00 0.00 C ATOM 700 O MET A 53 -1.746 6.465 8.315 1.00 0.00 O ATOM 701 CB MET A 53 -2.393 9.153 6.604 1.00 0.00 C ATOM 702 CG MET A 53 -2.664 7.958 5.688 1.00 0.00 C ATOM 703 SD MET A 53 -1.723 8.120 4.179 1.00 0.00 S ATOM 704 CE MET A 53 -2.349 9.684 3.590 1.00 0.00 C ATOM 0 H MET A 53 -0.204 7.964 6.242 1.00 0.00 H new ATOM 0 HA MET A 53 -1.275 9.628 8.390 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.332 9.512 7.026 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.970 9.972 6.023 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.396 7.032 6.196 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.728 7.899 5.458 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.416 9.663 2.502 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.338 9.862 4.011 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.675 10.484 3.896 1.00 0.00 H new ATOM 712 N MET A 54 -2.874 8.018 9.512 1.00 0.00 N ATOM 713 CA MET A 54 -3.523 7.043 10.372 1.00 0.00 C ATOM 714 C MET A 54 -4.413 6.101 9.559 1.00 0.00 C ATOM 715 O MET A 54 -4.524 4.917 9.877 1.00 0.00 O ATOM 716 CB MET A 54 -4.371 7.770 11.418 1.00 0.00 C ATOM 717 CG MET A 54 -3.790 7.584 12.821 1.00 0.00 C ATOM 718 SD MET A 54 -3.733 9.152 13.671 1.00 0.00 S ATOM 719 CE MET A 54 -4.523 8.701 15.208 1.00 0.00 C ATOM 0 H MET A 54 -3.116 8.989 9.709 1.00 0.00 H new ATOM 0 HA MET A 54 -2.752 6.450 10.864 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.419 8.832 11.178 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.393 7.391 11.390 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.399 6.877 13.385 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.788 7.160 12.755 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.570 9.572 15.862 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.533 8.343 15.007 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.949 7.913 15.695 1.00 0.00 H new ATOM 727 N ASP A 55 -5.024 6.660 8.525 1.00 0.00 N ATOM 728 CA ASP A 55 -5.900 5.885 7.664 1.00 0.00 C ATOM 729 C ASP A 55 -5.231 4.549 7.334 1.00 0.00 C ATOM 730 O ASP A 55 -5.905 3.526 7.211 1.00 0.00 O ATOM 731 CB ASP A 55 -6.170 6.617 6.349 1.00 0.00 C ATOM 732 CG ASP A 55 -6.305 8.136 6.470 1.00 0.00 C ATOM 733 OD1 ASP A 55 -5.707 8.895 5.692 1.00 0.00 O ATOM 734 OD2 ASP A 55 -7.073 8.541 7.425 1.00 0.00 O ATOM 0 H ASP A 55 -4.929 7.642 8.264 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.842 5.733 8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.361 6.394 5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.086 6.220 5.911 1.00 0.00 H new ATOM 739 N GLU A 56 -3.914 4.600 7.200 1.00 0.00 N ATOM 740 CA GLU A 56 -3.147 3.407 6.886 1.00 0.00 C ATOM 741 C GLU A 56 -3.603 2.237 7.761 1.00 0.00 C ATOM 742 O GLU A 56 -3.693 1.105 7.290 1.00 0.00 O ATOM 743 CB GLU A 56 -1.647 3.662 7.047 1.00 0.00 C ATOM 744 CG GLU A 56 -1.226 3.543 8.513 1.00 0.00 C ATOM 745 CD GLU A 56 0.158 4.155 8.738 1.00 0.00 C ATOM 746 OE1 GLU A 56 0.315 5.033 9.600 1.00 0.00 O ATOM 747 OE2 GLU A 56 1.090 3.688 7.979 1.00 0.00 O ATOM 0 H GLU A 56 -3.359 5.449 7.303 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.327 3.146 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.086 2.948 6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.401 4.656 6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.957 4.045 9.147 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.216 2.494 8.808 1.00 0.00 H new ATOM 753 N ALA A 57 -3.876 2.552 9.018 1.00 0.00 N ATOM 754 CA ALA A 57 -4.320 1.542 9.963 1.00 0.00 C ATOM 755 C ALA A 57 -5.684 1.003 9.524 1.00 0.00 C ATOM 756 O ALA A 57 -5.853 -0.204 9.355 1.00 0.00 O ATOM 757 CB ALA A 57 -4.354 2.139 11.371 1.00 0.00 C ATOM 0 H ALA A 57 -3.798 3.493 9.404 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.625 0.703 9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.687 1.381 12.080 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.356 2.479 11.646 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.043 2.983 11.392 1.00 0.00 H new ATOM 763 N PHE A 58 -6.621 1.923 9.354 1.00 0.00 N ATOM 764 CA PHE A 58 -7.964 1.556 8.938 1.00 0.00 C ATOM 765 C PHE A 58 -7.945 0.865 7.573 1.00 0.00 C ATOM 766 O PHE A 58 -8.739 -0.042 7.323 1.00 0.00 O ATOM 767 CB PHE A 58 -8.768 2.853 8.828 1.00 0.00 C ATOM 768 CG PHE A 58 -8.831 3.658 10.128 1.00 0.00 C ATOM 769 CD1 PHE A 58 -8.863 3.015 11.326 1.00 0.00 C ATOM 770 CD2 PHE A 58 -8.853 5.018 10.085 1.00 0.00 C ATOM 771 CE1 PHE A 58 -8.921 3.763 12.532 1.00 0.00 C ATOM 772 CE2 PHE A 58 -8.911 5.765 11.291 1.00 0.00 C ATOM 773 CZ PHE A 58 -8.943 5.123 12.488 1.00 0.00 C ATOM 0 H PHE A 58 -6.477 2.923 9.497 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.402 0.866 9.659 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.329 3.475 8.048 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.783 2.614 8.511 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.844 1.936 11.360 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.826 5.529 9.134 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.948 3.253 13.483 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.930 6.844 11.257 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.986 5.692 13.405 1.00 0.00 H new ATOM 782 N LYS A 59 -7.031 1.318 6.728 1.00 0.00 N ATOM 783 CA LYS A 59 -6.900 0.754 5.396 1.00 0.00 C ATOM 784 C LYS A 59 -6.923 -0.774 5.488 1.00 0.00 C ATOM 785 O LYS A 59 -7.453 -1.444 4.604 1.00 0.00 O ATOM 786 CB LYS A 59 -5.654 1.308 4.700 1.00 0.00 C ATOM 787 CG LYS A 59 -4.597 0.217 4.516 1.00 0.00 C ATOM 788 CD LYS A 59 -4.854 -0.585 3.238 1.00 0.00 C ATOM 789 CE LYS A 59 -3.979 -0.081 2.089 1.00 0.00 C ATOM 790 NZ LYS A 59 -4.708 0.927 1.288 1.00 0.00 N ATOM 0 H LYS A 59 -6.374 2.069 6.940 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.744 1.049 4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.929 1.720 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.238 2.126 5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.606 0.669 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.605 -0.451 5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.650 -1.640 3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.905 -0.507 2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.062 0.355 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.686 -0.917 1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.792 0.595 0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.658 1.068 1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.188 1.827 1.306 1.00 0.00 H new ATOM 799 N HIS A 60 -6.342 -1.278 6.567 1.00 0.00 N ATOM 800 CA HIS A 60 -6.290 -2.713 6.786 1.00 0.00 C ATOM 801 C HIS A 60 -7.709 -3.258 6.962 1.00 0.00 C ATOM 802 O HIS A 60 -8.008 -4.373 6.538 1.00 0.00 O ATOM 803 CB HIS A 60 -5.376 -3.050 7.966 1.00 0.00 C ATOM 804 CG HIS A 60 -6.115 -3.392 9.237 1.00 0.00 C ATOM 805 ND1 HIS A 60 -6.967 -4.478 9.340 1.00 0.00 N ATOM 806 CD2 HIS A 60 -6.120 -2.783 10.457 1.00 0.00 C ATOM 807 CE1 HIS A 60 -7.458 -4.509 10.570 1.00 0.00 C ATOM 808 NE2 HIS A 60 -6.932 -3.457 11.262 1.00 0.00 N ATOM 0 H HIS A 60 -5.904 -0.718 7.298 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.856 -3.201 5.913 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.739 -3.891 7.691 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.719 -2.202 8.157 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.558 -1.900 10.724 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.153 -5.239 10.957 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.130 -3.227 12.236 1.00 0.00 H new ATOM 815 N THR A 61 -8.548 -2.444 7.588 1.00 0.00 N ATOM 816 CA THR A 61 -9.928 -2.830 7.826 1.00 0.00 C ATOM 817 C THR A 61 -10.622 -3.166 6.504 1.00 0.00 C ATOM 818 O THR A 61 -11.467 -4.058 6.453 1.00 0.00 O ATOM 819 CB THR A 61 -10.608 -1.698 8.598 1.00 0.00 C ATOM 820 OG1 THR A 61 -9.846 -1.590 9.798 1.00 0.00 O ATOM 821 CG2 THR A 61 -12.009 -2.080 9.081 1.00 0.00 C ATOM 0 H THR A 61 -8.298 -1.519 7.937 1.00 0.00 H new ATOM 0 HA THR A 61 -9.988 -3.736 8.429 1.00 0.00 H new ATOM 0 HB THR A 61 -10.670 -0.812 7.966 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.217 -0.877 10.358 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.448 -1.242 9.623 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.635 -2.325 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.943 -2.945 9.741 1.00 0.00 H new ATOM 829 N ALA A 62 -10.239 -2.435 5.469 1.00 0.00 N ATOM 830 CA ALA A 62 -10.815 -2.644 4.151 1.00 0.00 C ATOM 831 C ALA A 62 -10.556 -4.085 3.710 1.00 0.00 C ATOM 832 O ALA A 62 -11.492 -4.825 3.410 1.00 0.00 O ATOM 833 CB ALA A 62 -10.234 -1.621 3.172 1.00 0.00 C ATOM 0 H ALA A 62 -9.537 -1.697 5.515 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.895 -2.495 4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.666 -1.777 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.470 -0.614 3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.152 -1.742 3.119 1.00 0.00 H new ATOM 839 N ARG A 63 -9.280 -4.443 3.683 1.00 0.00 N ATOM 840 CA ARG A 63 -8.887 -5.783 3.284 1.00 0.00 C ATOM 841 C ARG A 63 -9.195 -6.782 4.400 1.00 0.00 C ATOM 842 O ARG A 63 -8.773 -7.936 4.341 1.00 0.00 O ATOM 843 CB ARG A 63 -7.395 -5.843 2.952 1.00 0.00 C ATOM 844 CG ARG A 63 -6.548 -5.423 4.156 1.00 0.00 C ATOM 845 CD ARG A 63 -5.130 -5.043 3.724 1.00 0.00 C ATOM 846 NE ARG A 63 -5.139 -4.563 2.324 1.00 0.00 N ATOM 847 CZ ARG A 63 -5.813 -3.472 1.903 1.00 0.00 C ATOM 848 NH1 ARG A 63 -6.539 -2.737 2.773 1.00 0.00 N ATOM 849 NH2 ARG A 63 -5.750 -3.133 0.629 1.00 0.00 N ATOM 0 H ARG A 63 -8.505 -3.828 3.931 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.457 -6.044 2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.127 -6.855 2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.180 -5.190 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.018 -4.577 4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.506 -6.239 4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.737 -4.267 4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.469 -5.905 3.817 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.603 -5.089 1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.581 -3.005 3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.045 -1.914 2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.198 -3.693 -0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.253 -2.311 0.294 1.00 0.00 H new ATOM 859 N HIS A 64 -9.928 -6.303 5.395 1.00 0.00 N ATOM 860 CA HIS A 64 -10.298 -7.139 6.524 1.00 0.00 C ATOM 861 C HIS A 64 -11.403 -8.109 6.104 1.00 0.00 C ATOM 862 O HIS A 64 -11.207 -9.323 6.118 1.00 0.00 O ATOM 863 CB HIS A 64 -10.688 -6.283 7.730 1.00 0.00 C ATOM 864 CG HIS A 64 -10.289 -6.877 9.060 1.00 0.00 C ATOM 865 ND1 HIS A 64 -9.152 -7.649 9.225 1.00 0.00 N ATOM 866 CD2 HIS A 64 -10.886 -6.803 10.284 1.00 0.00 C ATOM 867 CE1 HIS A 64 -9.081 -8.019 10.495 1.00 0.00 C ATOM 868 NE2 HIS A 64 -10.156 -7.494 11.150 1.00 0.00 N ATOM 0 H HIS A 64 -10.276 -5.345 5.442 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.440 -7.734 6.837 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.227 -5.301 7.630 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.767 -6.131 7.721 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.799 -6.272 10.510 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.307 -8.630 10.935 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.364 -7.613 12.141 1.00 0.00 H new ATOM 875 N ASN A 65 -12.541 -7.537 5.739 1.00 0.00 N ATOM 876 CA ASN A 65 -13.679 -8.336 5.315 1.00 0.00 C ATOM 877 C ASN A 65 -13.976 -8.052 3.842 1.00 0.00 C ATOM 878 O ASN A 65 -13.990 -8.967 3.020 1.00 0.00 O ATOM 879 CB ASN A 65 -14.929 -7.988 6.125 1.00 0.00 C ATOM 880 CG ASN A 65 -15.013 -6.483 6.384 1.00 0.00 C ATOM 881 OD1 ASN A 65 -14.073 -5.851 6.838 1.00 0.00 O ATOM 882 ND2 ASN A 65 -16.188 -5.945 6.071 1.00 0.00 N ATOM 0 H ASN A 65 -12.700 -6.529 5.728 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.430 -9.386 5.470 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.818 -8.318 5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.912 -8.524 7.074 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.344 -4.946 6.207 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.933 -6.531 5.695 1.00 0.00 H new ATOM 888 N VAL A 66 -14.205 -6.779 3.552 1.00 0.00 N ATOM 889 CA VAL A 66 -14.501 -6.362 2.192 1.00 0.00 C ATOM 890 C VAL A 66 -13.210 -5.902 1.512 1.00 0.00 C ATOM 891 O VAL A 66 -12.122 -6.351 1.870 1.00 0.00 O ATOM 892 CB VAL A 66 -15.589 -5.287 2.199 1.00 0.00 C ATOM 893 CG1 VAL A 66 -16.807 -5.744 3.006 1.00 0.00 C ATOM 894 CG2 VAL A 66 -15.045 -3.960 2.731 1.00 0.00 C ATOM 0 H VAL A 66 -14.191 -6.023 4.236 1.00 0.00 H new ATOM 0 HA VAL A 66 -14.893 -7.198 1.613 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.910 -5.129 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -17.565 -4.961 2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.216 -6.652 2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.508 -5.944 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.839 -3.213 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.683 -4.097 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.225 -3.623 2.097 1.00 0.00 H new ATOM 904 N ASP A 67 -13.374 -5.014 0.543 1.00 0.00 N ATOM 905 CA ASP A 67 -12.235 -4.488 -0.191 1.00 0.00 C ATOM 906 C ASP A 67 -12.388 -2.974 -0.344 1.00 0.00 C ATOM 907 O ASP A 67 -13.438 -2.492 -0.766 1.00 0.00 O ATOM 908 CB ASP A 67 -12.151 -5.100 -1.590 1.00 0.00 C ATOM 909 CG ASP A 67 -12.256 -6.626 -1.636 1.00 0.00 C ATOM 910 OD1 ASP A 67 -11.366 -7.342 -1.152 1.00 0.00 O ATOM 911 OD2 ASP A 67 -13.320 -7.082 -2.206 1.00 0.00 O ATOM 0 H ASP A 67 -14.278 -4.645 0.249 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.331 -4.737 0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.947 -4.677 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.206 -4.802 -2.044 1.00 0.00 H new ATOM 916 N GLU A 68 -11.325 -2.265 0.005 1.00 0.00 N ATOM 917 CA GLU A 68 -11.328 -0.815 -0.089 1.00 0.00 C ATOM 918 C GLU A 68 -9.940 -0.306 -0.486 1.00 0.00 C ATOM 919 O GLU A 68 -8.927 -0.820 -0.014 1.00 0.00 O ATOM 920 CB GLU A 68 -11.788 -0.181 1.224 1.00 0.00 C ATOM 921 CG GLU A 68 -12.914 0.827 0.981 1.00 0.00 C ATOM 922 CD GLU A 68 -12.705 2.093 1.814 1.00 0.00 C ATOM 923 OE1 GLU A 68 -13.544 2.419 2.667 1.00 0.00 O ATOM 924 OE2 GLU A 68 -11.624 2.747 1.552 1.00 0.00 O ATOM 0 H GLU A 68 -10.455 -2.668 0.354 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.037 -0.523 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.132 -0.958 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.947 0.317 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.953 1.086 -0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.873 0.375 1.234 1.00 0.00 H new ATOM 930 N LEU A 69 -9.938 0.697 -1.353 1.00 0.00 N ATOM 931 CA LEU A 69 -8.693 1.281 -1.818 1.00 0.00 C ATOM 932 C LEU A 69 -8.806 2.806 -1.789 1.00 0.00 C ATOM 933 O LEU A 69 -9.793 3.368 -2.261 1.00 0.00 O ATOM 934 CB LEU A 69 -8.318 0.718 -3.192 1.00 0.00 C ATOM 935 CG LEU A 69 -8.024 -0.782 -3.244 1.00 0.00 C ATOM 936 CD1 LEU A 69 -7.014 -1.181 -2.167 1.00 0.00 C ATOM 937 CD2 LEU A 69 -9.315 -1.597 -3.150 1.00 0.00 C ATOM 0 H LEU A 69 -10.780 1.119 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.874 1.010 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.131 0.933 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.440 1.253 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.570 -1.008 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.823 -2.252 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.082 -0.637 -2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.416 -0.938 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.078 -2.660 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.820 -1.372 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.969 -1.340 -3.983 1.00 0.00 H new ATOM 948 N HIS A 70 -7.782 3.433 -1.229 1.00 0.00 N ATOM 949 CA HIS A 70 -7.755 4.883 -1.132 1.00 0.00 C ATOM 950 C HIS A 70 -6.320 5.383 -1.315 1.00 0.00 C ATOM 951 O HIS A 70 -5.378 4.775 -0.811 1.00 0.00 O ATOM 952 CB HIS A 70 -8.382 5.352 0.182 1.00 0.00 C ATOM 953 CG HIS A 70 -9.889 5.443 0.146 1.00 0.00 C ATOM 954 ND1 HIS A 70 -10.583 5.925 -0.950 1.00 0.00 N ATOM 955 CD2 HIS A 70 -10.826 5.110 1.080 1.00 0.00 C ATOM 956 CE1 HIS A 70 -11.879 5.880 -0.677 1.00 0.00 C ATOM 957 NE2 HIS A 70 -12.027 5.375 0.582 1.00 0.00 N ATOM 0 H HIS A 70 -6.965 2.964 -0.838 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.359 5.315 -1.930 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.089 4.667 0.977 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.975 6.330 0.438 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.624 4.700 2.059 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.678 6.189 -1.335 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.915 5.226 1.061 1.00 0.00 H new ATOM 964 N ILE A 71 -6.200 6.486 -2.040 1.00 0.00 N ATOM 965 CA ILE A 71 -4.897 7.074 -2.296 1.00 0.00 C ATOM 966 C ILE A 71 -4.974 8.588 -2.084 1.00 0.00 C ATOM 967 O ILE A 71 -5.952 9.224 -2.475 1.00 0.00 O ATOM 968 CB ILE A 71 -4.392 6.674 -3.684 1.00 0.00 C ATOM 969 CG1 ILE A 71 -3.623 5.353 -3.627 1.00 0.00 C ATOM 970 CG2 ILE A 71 -3.560 7.796 -4.310 1.00 0.00 C ATOM 971 CD1 ILE A 71 -2.581 5.373 -2.507 1.00 0.00 C ATOM 0 H ILE A 71 -6.984 6.987 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.161 6.689 -1.590 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.256 6.516 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.319 4.530 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.131 5.173 -4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.214 7.486 -5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.172 8.693 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.701 8.010 -3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.049 4.422 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.872 6.182 -2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.079 5.529 -1.550 1.00 0.00 H new ATOM 982 N ASP A 72 -3.932 9.120 -1.464 1.00 0.00 N ATOM 983 CA ASP A 72 -3.869 10.547 -1.194 1.00 0.00 C ATOM 984 C ASP A 72 -2.422 11.024 -1.333 1.00 0.00 C ATOM 985 O ASP A 72 -1.494 10.335 -0.914 1.00 0.00 O ATOM 986 CB ASP A 72 -4.336 10.859 0.229 1.00 0.00 C ATOM 987 CG ASP A 72 -5.457 9.960 0.754 1.00 0.00 C ATOM 988 OD1 ASP A 72 -6.637 10.343 0.752 1.00 0.00 O ATOM 989 OD2 ASP A 72 -5.074 8.806 1.183 1.00 0.00 O ATOM 0 H ASP A 72 -3.124 8.589 -1.140 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.520 11.055 -1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.482 10.779 0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.674 11.895 0.265 1.00 0.00 H new ATOM 994 N GLY A 73 -2.276 12.203 -1.921 1.00 0.00 N ATOM 995 CA GLY A 73 -0.958 12.782 -2.121 1.00 0.00 C ATOM 996 C GLY A 73 -0.946 14.262 -1.738 1.00 0.00 C ATOM 997 O GLY A 73 -1.809 15.026 -2.168 1.00 0.00 O ATOM 0 H GLY A 73 -3.049 12.773 -2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.225 12.242 -1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.662 12.670 -3.164 1.00 0.00 H new ATOM 1001 N ASN A 74 0.042 14.624 -0.934 1.00 0.00 N ATOM 1002 CA ASN A 74 0.178 16.001 -0.487 1.00 0.00 C ATOM 1003 C ASN A 74 1.663 16.352 -0.377 1.00 0.00 C ATOM 1004 O ASN A 74 2.465 15.537 0.074 1.00 0.00 O ATOM 1005 CB ASN A 74 -0.459 16.199 0.890 1.00 0.00 C ATOM 1006 CG ASN A 74 -1.923 16.625 0.762 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -2.410 16.948 -0.310 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -2.594 16.606 1.909 1.00 0.00 N ATOM 0 H ASN A 74 0.757 13.988 -0.580 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.324 16.642 -1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.395 15.273 1.461 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.096 16.955 1.446 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.578 16.872 1.928 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.125 16.325 2.770 1.00 0.00 H new ATOM 1014 N TYR A 75 1.983 17.568 -0.796 1.00 0.00 N ATOM 1015 CA TYR A 75 3.358 18.038 -0.750 1.00 0.00 C ATOM 1016 C TYR A 75 3.836 18.191 0.695 1.00 0.00 C ATOM 1017 O TYR A 75 5.014 18.450 0.938 1.00 0.00 O ATOM 1018 CB TYR A 75 3.356 19.411 -1.422 1.00 0.00 C ATOM 1019 CG TYR A 75 2.277 20.360 -0.898 1.00 0.00 C ATOM 1020 CD1 TYR A 75 2.459 21.018 0.302 1.00 0.00 C ATOM 1021 CD2 TYR A 75 1.120 20.558 -1.625 1.00 0.00 C ATOM 1022 CE1 TYR A 75 1.443 21.911 0.795 1.00 0.00 C ATOM 1023 CE2 TYR A 75 0.103 21.451 -1.131 1.00 0.00 C ATOM 1024 CZ TYR A 75 0.315 22.084 0.055 1.00 0.00 C ATOM 1025 OH TYR A 75 -0.645 22.927 0.520 1.00 0.00 O ATOM 0 H TYR A 75 1.314 18.242 -1.169 1.00 0.00 H new ATOM 0 HA TYR A 75 4.023 17.331 -1.246 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.332 19.874 -1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.218 19.278 -2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.364 20.863 0.871 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.977 20.044 -2.564 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.574 22.432 1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.807 21.614 -1.689 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.393 22.952 -0.113 1.00 0.00 H new ATOM 1034 N GLN A 76 2.899 18.023 1.616 1.00 0.00 N ATOM 1035 CA GLN A 76 3.210 18.140 3.031 1.00 0.00 C ATOM 1036 C GLN A 76 3.102 16.774 3.712 1.00 0.00 C ATOM 1037 O GLN A 76 3.416 16.639 4.894 1.00 0.00 O ATOM 1038 CB GLN A 76 2.301 19.165 3.711 1.00 0.00 C ATOM 1039 CG GLN A 76 0.847 18.988 3.267 1.00 0.00 C ATOM 1040 CD GLN A 76 -0.074 19.965 4.001 1.00 0.00 C ATOM 1041 OE1 GLN A 76 -0.257 19.901 5.204 1.00 0.00 O ATOM 1042 NE2 GLN A 76 -0.641 20.871 3.208 1.00 0.00 N ATOM 0 H GLN A 76 1.924 17.807 1.410 1.00 0.00 H new ATOM 0 HA GLN A 76 4.236 18.494 3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.370 19.056 4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.639 20.173 3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.770 19.148 2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.526 17.965 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -0.444 20.868 2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.273 21.569 3.601 1.00 0.00 H new ATOM 1049 N LEU A 77 2.658 15.796 2.938 1.00 0.00 N ATOM 1050 CA LEU A 77 2.505 14.445 3.452 1.00 0.00 C ATOM 1051 C LEU A 77 3.803 14.014 4.136 1.00 0.00 C ATOM 1052 O LEU A 77 3.776 13.462 5.235 1.00 0.00 O ATOM 1053 CB LEU A 77 2.053 13.496 2.339 1.00 0.00 C ATOM 1054 CG LEU A 77 1.485 12.151 2.795 1.00 0.00 C ATOM 1055 CD1 LEU A 77 0.511 11.588 1.758 1.00 0.00 C ATOM 1056 CD2 LEU A 77 2.608 11.165 3.123 1.00 0.00 C ATOM 0 H LEU A 77 2.399 15.911 1.958 1.00 0.00 H new ATOM 0 HA LEU A 77 1.720 14.412 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.296 14.004 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.903 13.306 1.683 1.00 0.00 H new ATOM 0 HG LEU A 77 0.920 12.311 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.121 10.631 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.314 12.286 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.031 11.445 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.177 10.217 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.221 11.003 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.227 11.572 3.922 1.00 0.00 H new ATOM 1067 N GLY A 78 4.910 14.284 3.459 1.00 0.00 N ATOM 1068 CA GLY A 78 6.216 13.931 3.990 1.00 0.00 C ATOM 1069 C GLY A 78 7.203 13.627 2.860 1.00 0.00 C ATOM 1070 O GLY A 78 8.415 13.632 3.071 1.00 0.00 O ATOM 0 H GLY A 78 4.929 14.743 2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.598 14.749 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.125 13.062 4.642 1.00 0.00 H new ATOM 1074 N ARG A 79 6.646 13.371 1.685 1.00 0.00 N ATOM 1075 CA ARG A 79 7.462 13.066 0.522 1.00 0.00 C ATOM 1076 C ARG A 79 7.782 11.570 0.476 1.00 0.00 C ATOM 1077 O ARG A 79 8.946 11.184 0.375 1.00 0.00 O ATOM 1078 CB ARG A 79 8.769 13.860 0.542 1.00 0.00 C ATOM 1079 CG ARG A 79 9.357 13.984 -0.865 1.00 0.00 C ATOM 1080 CD ARG A 79 8.545 14.963 -1.714 1.00 0.00 C ATOM 1081 NE ARG A 79 9.300 16.223 -1.896 1.00 0.00 N ATOM 1082 CZ ARG A 79 10.516 16.300 -2.477 1.00 0.00 C ATOM 1083 NH1 ARG A 79 11.126 15.188 -2.939 1.00 0.00 N ATOM 1084 NH2 ARG A 79 11.099 17.479 -2.586 1.00 0.00 N ATOM 0 H ARG A 79 5.641 13.369 1.514 1.00 0.00 H new ATOM 0 HA ARG A 79 6.894 13.347 -0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.589 14.853 0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.487 13.368 1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.391 14.323 -0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.371 13.005 -1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.324 14.519 -2.684 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.589 15.169 -1.232 1.00 0.00 H new ATOM 0 HE ARG A 79 8.875 17.088 -1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.668 14.281 -2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.045 15.255 -3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.631 18.314 -2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.018 17.555 -3.022 1.00 0.00 H new ATOM 1094 N ASN A 80 6.730 10.769 0.552 1.00 0.00 N ATOM 1095 CA ASN A 80 6.885 9.325 0.520 1.00 0.00 C ATOM 1096 C ASN A 80 6.211 8.772 -0.737 1.00 0.00 C ATOM 1097 O ASN A 80 5.008 8.943 -0.928 1.00 0.00 O ATOM 1098 CB ASN A 80 6.222 8.674 1.737 1.00 0.00 C ATOM 1099 CG ASN A 80 7.226 8.496 2.878 1.00 0.00 C ATOM 1100 OD1 ASN A 80 7.421 7.413 3.406 1.00 0.00 O ATOM 1101 ND2 ASN A 80 7.851 9.617 3.228 1.00 0.00 N ATOM 0 H ASN A 80 5.766 11.093 0.636 1.00 0.00 H new ATOM 0 HA ASN A 80 7.951 9.099 0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.388 9.290 2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.810 7.705 1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.540 9.603 3.980 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.641 10.490 2.745 1.00 0.00 H new ATOM 1107 N VAL A 81 7.016 8.120 -1.562 1.00 0.00 N ATOM 1108 CA VAL A 81 6.514 7.540 -2.797 1.00 0.00 C ATOM 1109 C VAL A 81 6.640 6.016 -2.727 1.00 0.00 C ATOM 1110 O VAL A 81 7.745 5.479 -2.763 1.00 0.00 O ATOM 1111 CB VAL A 81 7.245 8.147 -3.996 1.00 0.00 C ATOM 1112 CG1 VAL A 81 8.688 8.507 -3.633 1.00 0.00 C ATOM 1113 CG2 VAL A 81 7.202 7.203 -5.198 1.00 0.00 C ATOM 0 H VAL A 81 8.013 7.980 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 81 5.457 7.773 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 81 6.730 9.067 -4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.186 8.937 -4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.688 9.232 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.219 7.609 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.729 7.658 -6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.682 6.260 -4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.165 7.018 -5.478 1.00 0.00 H new ATOM 1123 N LEU A 82 5.491 5.364 -2.630 1.00 0.00 N ATOM 1124 CA LEU A 82 5.459 3.913 -2.556 1.00 0.00 C ATOM 1125 C LEU A 82 4.553 3.370 -3.664 1.00 0.00 C ATOM 1126 O LEU A 82 3.367 3.689 -3.712 1.00 0.00 O ATOM 1127 CB LEU A 82 5.053 3.457 -1.153 1.00 0.00 C ATOM 1128 CG LEU A 82 5.879 4.027 0.002 1.00 0.00 C ATOM 1129 CD1 LEU A 82 4.999 4.829 0.962 1.00 0.00 C ATOM 1130 CD2 LEU A 82 6.652 2.919 0.722 1.00 0.00 C ATOM 0 H LEU A 82 4.576 5.813 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 82 6.454 3.501 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.008 3.725 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.113 2.369 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 82 6.615 4.717 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.611 5.223 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.533 5.655 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.225 4.181 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.231 3.351 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.951 2.187 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.326 2.429 0.019 1.00 0.00 H new ATOM 1141 N LEU A 83 5.149 2.560 -4.527 1.00 0.00 N ATOM 1142 CA LEU A 83 4.412 1.970 -5.631 1.00 0.00 C ATOM 1143 C LEU A 83 4.356 0.452 -5.447 1.00 0.00 C ATOM 1144 O LEU A 83 5.370 -0.231 -5.581 1.00 0.00 O ATOM 1145 CB LEU A 83 5.012 2.405 -6.970 1.00 0.00 C ATOM 1146 CG LEU A 83 4.016 2.646 -8.104 1.00 0.00 C ATOM 1147 CD1 LEU A 83 3.959 4.129 -8.480 1.00 0.00 C ATOM 1148 CD2 LEU A 83 4.335 1.762 -9.311 1.00 0.00 C ATOM 0 H LEU A 83 6.134 2.299 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 83 3.383 2.330 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.579 3.322 -6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.722 1.643 -7.292 1.00 0.00 H new ATOM 0 HG LEU A 83 3.024 2.365 -7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.243 4.272 -9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.649 4.712 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.945 4.460 -8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.611 1.953 -10.103 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.338 1.989 -9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.283 0.713 -9.018 1.00 0.00 H new ATOM 1159 N LYS A 84 3.160 -0.031 -5.144 1.00 0.00 N ATOM 1160 CA LYS A 84 2.958 -1.456 -4.941 1.00 0.00 C ATOM 1161 C LYS A 84 1.845 -1.946 -5.870 1.00 0.00 C ATOM 1162 O LYS A 84 0.712 -1.474 -5.790 1.00 0.00 O ATOM 1163 CB LYS A 84 2.702 -1.755 -3.463 1.00 0.00 C ATOM 1164 CG LYS A 84 1.227 -2.082 -3.217 1.00 0.00 C ATOM 1165 CD LYS A 84 0.939 -2.224 -1.722 1.00 0.00 C ATOM 1166 CE LYS A 84 0.626 -3.677 -1.359 1.00 0.00 C ATOM 1167 NZ LYS A 84 1.867 -4.400 -1.001 1.00 0.00 N ATOM 0 H LYS A 84 2.321 0.539 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 84 3.859 -2.010 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.322 -2.593 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.993 -0.896 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.601 -1.295 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.965 -3.007 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.799 -1.879 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.097 -1.588 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.073 -3.707 -0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.139 -4.172 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.627 -5.347 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.471 -4.490 -1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.376 -3.872 -0.264 1.00 0.00 H new ATOM 1176 N ASN A 85 2.207 -2.887 -6.730 1.00 0.00 N ATOM 1177 CA ASN A 85 1.254 -3.446 -7.672 1.00 0.00 C ATOM 1178 C ASN A 85 1.034 -4.926 -7.352 1.00 0.00 C ATOM 1179 O ASN A 85 1.951 -5.736 -7.484 1.00 0.00 O ATOM 1180 CB ASN A 85 1.773 -3.345 -9.107 1.00 0.00 C ATOM 1181 CG ASN A 85 2.345 -1.954 -9.387 1.00 0.00 C ATOM 1182 OD1 ASN A 85 3.391 -1.571 -8.888 1.00 0.00 O ATOM 1183 ND2 ASN A 85 1.602 -1.220 -10.210 1.00 0.00 N ATOM 0 H ASN A 85 3.148 -3.276 -6.794 1.00 0.00 H new ATOM 0 HA ASN A 85 0.325 -2.883 -7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.543 -4.099 -9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.964 -3.557 -9.806 1.00 0.00 H new ATOM 0 HD21 ASN A 85 1.897 -0.276 -10.459 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.737 -1.601 -10.593 1.00 0.00 H new ATOM 1189 N GLY A 86 -0.185 -5.235 -6.938 1.00 0.00 N ATOM 1190 CA GLY A 86 -0.537 -6.603 -6.597 1.00 0.00 C ATOM 1191 C GLY A 86 -1.593 -7.153 -7.558 1.00 0.00 C ATOM 1192 O GLY A 86 -2.692 -6.608 -7.656 1.00 0.00 O ATOM 0 H GLY A 86 -0.943 -4.561 -6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 86 0.353 -7.231 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.915 -6.641 -5.575 1.00 0.00 H new ATOM 1196 N GLU A 87 -1.223 -8.226 -8.242 1.00 0.00 N ATOM 1197 CA GLU A 87 -2.126 -8.856 -9.191 1.00 0.00 C ATOM 1198 C GLU A 87 -2.314 -10.334 -8.844 1.00 0.00 C ATOM 1199 O GLU A 87 -1.351 -11.100 -8.830 1.00 0.00 O ATOM 1200 CB GLU A 87 -1.617 -8.689 -10.624 1.00 0.00 C ATOM 1201 CG GLU A 87 -0.148 -9.100 -10.735 1.00 0.00 C ATOM 1202 CD GLU A 87 0.210 -9.468 -12.177 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -0.269 -8.820 -13.119 1.00 0.00 O ATOM 1204 OE2 GLU A 87 1.018 -10.467 -12.299 1.00 0.00 O ATOM 0 H GLU A 87 -0.311 -8.675 -8.158 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.095 -8.362 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.220 -9.294 -11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.733 -7.651 -10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.489 -8.283 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.046 -9.949 -10.080 1.00 0.00 H new ATOM 1210 N ASP A 88 -3.560 -10.692 -8.572 1.00 0.00 N ATOM 1211 CA ASP A 88 -3.887 -12.064 -8.226 1.00 0.00 C ATOM 1212 C ASP A 88 -5.118 -12.506 -9.019 1.00 0.00 C ATOM 1213 O ASP A 88 -6.147 -11.833 -9.002 1.00 0.00 O ATOM 1214 CB ASP A 88 -4.212 -12.195 -6.737 1.00 0.00 C ATOM 1215 CG ASP A 88 -3.977 -13.585 -6.142 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -3.370 -14.458 -6.781 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -4.452 -13.758 -4.955 1.00 0.00 O ATOM 0 H ASP A 88 -4.356 -10.054 -8.584 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.023 -12.686 -8.462 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.610 -11.474 -6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.256 -11.923 -6.583 1.00 0.00 H new ATOM 1222 N ARG A 89 -4.972 -13.636 -9.695 1.00 0.00 N ATOM 1223 CA ARG A 89 -6.060 -14.177 -10.494 1.00 0.00 C ATOM 1224 C ARG A 89 -6.006 -15.706 -10.498 1.00 0.00 C ATOM 1225 O ARG A 89 -4.979 -16.293 -10.833 1.00 0.00 O ATOM 1226 CB ARG A 89 -5.991 -13.667 -11.935 1.00 0.00 C ATOM 1227 CG ARG A 89 -4.590 -13.856 -12.517 1.00 0.00 C ATOM 1228 CD ARG A 89 -4.656 -14.195 -14.008 1.00 0.00 C ATOM 1229 NE ARG A 89 -5.241 -15.542 -14.195 1.00 0.00 N ATOM 1230 CZ ARG A 89 -4.955 -16.353 -15.236 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -4.089 -15.960 -16.193 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -5.536 -17.537 -15.303 1.00 0.00 N ATOM 0 H ARG A 89 -4.117 -14.192 -9.706 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.997 -13.844 -10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.718 -14.199 -12.548 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.261 -12.611 -11.964 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.007 -12.946 -12.373 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.075 -14.653 -11.982 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.257 -13.452 -14.532 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.657 -14.160 -14.442 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.901 -15.878 -13.494 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.645 -15.044 -16.134 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.879 -16.579 -16.976 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.189 -17.826 -14.575 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.331 -18.162 -16.083 1.00 0.00 H new ATOM 1242 N LEU A 90 -7.126 -16.306 -10.122 1.00 0.00 N ATOM 1243 CA LEU A 90 -7.219 -17.755 -10.079 1.00 0.00 C ATOM 1244 C LEU A 90 -8.361 -18.216 -10.988 1.00 0.00 C ATOM 1245 O LEU A 90 -9.316 -17.474 -11.215 1.00 0.00 O ATOM 1246 CB LEU A 90 -7.350 -18.240 -8.634 1.00 0.00 C ATOM 1247 CG LEU A 90 -6.039 -18.559 -7.912 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -5.298 -19.706 -8.601 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -5.167 -17.309 -7.784 1.00 0.00 C ATOM 0 H LEU A 90 -7.976 -15.815 -9.845 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.304 -18.207 -10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.880 -17.478 -8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.973 -19.135 -8.627 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.277 -18.891 -6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.370 -19.912 -8.068 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.924 -20.598 -8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.071 -19.426 -9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.241 -17.562 -7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.935 -16.924 -8.777 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.703 -16.548 -7.216 1.00 0.00 H new ATOM 1260 N ARG A 91 -8.224 -19.436 -11.484 1.00 0.00 N ATOM 1261 CA ARG A 91 -9.232 -20.005 -12.362 1.00 0.00 C ATOM 1262 C ARG A 91 -10.560 -20.158 -11.618 1.00 0.00 C ATOM 1263 O ARG A 91 -11.627 -20.081 -12.224 1.00 0.00 O ATOM 1264 CB ARG A 91 -8.793 -21.371 -12.894 1.00 0.00 C ATOM 1265 CG ARG A 91 -8.561 -22.357 -11.747 1.00 0.00 C ATOM 1266 CD ARG A 91 -7.738 -23.559 -12.216 1.00 0.00 C ATOM 1267 NE ARG A 91 -7.105 -24.223 -11.055 1.00 0.00 N ATOM 1268 CZ ARG A 91 -6.212 -25.230 -11.153 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -5.839 -25.699 -12.363 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -5.710 -25.751 -10.048 1.00 0.00 N ATOM 0 H ARG A 91 -7.430 -20.047 -11.295 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.360 -19.324 -13.204 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.554 -21.764 -13.568 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -7.877 -21.262 -13.475 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.044 -21.854 -10.929 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.520 -22.698 -11.356 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.379 -24.265 -12.744 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.973 -23.234 -12.921 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.360 -23.899 -10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.233 -25.292 -13.211 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.163 -26.460 -12.429 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.998 -25.392 -9.138 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.034 -26.513 -10.105 1.00 0.00 H new ATOM 1280 N PHE A 92 -10.450 -20.375 -10.315 1.00 0.00 N ATOM 1281 CA PHE A 92 -11.629 -20.539 -9.483 1.00 0.00 C ATOM 1282 C PHE A 92 -12.539 -19.313 -9.570 1.00 0.00 C ATOM 1283 O PHE A 92 -13.755 -19.426 -9.431 1.00 0.00 O ATOM 1284 CB PHE A 92 -11.140 -20.694 -8.041 1.00 0.00 C ATOM 1285 CG PHE A 92 -11.150 -22.137 -7.532 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -10.239 -23.030 -8.001 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -12.071 -22.526 -6.610 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -10.248 -24.369 -7.528 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -12.082 -23.865 -6.137 1.00 0.00 C ATOM 1290 CZ PHE A 92 -11.170 -24.759 -6.606 1.00 0.00 C ATOM 0 H PHE A 92 -9.563 -20.441 -9.816 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.200 -21.406 -9.816 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -10.126 -20.301 -7.968 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.766 -20.085 -7.389 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.508 -22.721 -8.734 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.795 -21.816 -6.237 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.523 -25.078 -7.900 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.814 -24.173 -5.405 1.00 0.00 H new ATOM 0 HZ PHE A 92 -11.178 -25.778 -6.247 1.00 0.00 H new ATOM 1299 N TYR A 93 -11.914 -18.167 -9.802 1.00 0.00 N ATOM 1300 CA TYR A 93 -12.652 -16.920 -9.910 1.00 0.00 C ATOM 1301 C TYR A 93 -13.114 -16.681 -11.349 1.00 0.00 C ATOM 1302 O TYR A 93 -12.413 -17.030 -12.296 1.00 0.00 O ATOM 1303 CB TYR A 93 -11.673 -15.814 -9.510 1.00 0.00 C ATOM 1304 CG TYR A 93 -12.097 -15.028 -8.269 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -13.148 -14.137 -8.341 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -11.426 -15.210 -7.075 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -13.547 -13.397 -7.172 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -11.825 -14.469 -5.906 1.00 0.00 C ATOM 1309 CZ TYR A 93 -12.865 -13.600 -6.012 1.00 0.00 C ATOM 1310 OH TYR A 93 -13.241 -12.900 -4.908 1.00 0.00 O ATOM 0 H TYR A 93 -10.905 -18.076 -9.918 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.538 -16.942 -9.276 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.694 -16.257 -9.330 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.561 -15.122 -10.345 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.672 -13.995 -9.275 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.603 -15.907 -7.018 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.368 -12.697 -7.215 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.309 -14.601 -4.966 1.00 0.00 H new ATOM 0 HH TYR A 93 -12.667 -13.147 -4.153 1.00 0.00 H new ATOM 1319 N VAL A 94 -14.293 -16.086 -11.466 1.00 0.00 N ATOM 1320 CA VAL A 94 -14.858 -15.795 -12.773 1.00 0.00 C ATOM 1321 C VAL A 94 -14.628 -14.319 -13.106 1.00 0.00 C ATOM 1322 O VAL A 94 -14.690 -13.926 -14.269 1.00 0.00 O ATOM 1323 CB VAL A 94 -16.335 -16.193 -12.805 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -16.995 -15.742 -14.110 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -16.501 -17.700 -12.598 1.00 0.00 C ATOM 0 H VAL A 94 -14.872 -15.798 -10.677 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.361 -16.383 -13.544 1.00 0.00 H new ATOM 0 HB VAL A 94 -16.838 -15.685 -11.982 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.044 -16.037 -14.108 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.923 -14.658 -14.199 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.488 -16.209 -14.954 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -17.560 -17.957 -12.625 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -15.977 -18.236 -13.390 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -16.084 -17.983 -11.631 1.00 0.00 H new ATOM 1335 N LYS A 95 -14.369 -13.544 -12.064 1.00 0.00 N ATOM 1336 CA LYS A 95 -14.130 -12.121 -12.231 1.00 0.00 C ATOM 1337 C LYS A 95 -12.641 -11.885 -12.494 1.00 0.00 C ATOM 1338 O LYS A 95 -12.278 -11.087 -13.356 1.00 0.00 O ATOM 1339 CB LYS A 95 -14.674 -11.342 -11.032 1.00 0.00 C ATOM 1340 CG LYS A 95 -15.322 -10.029 -11.478 1.00 0.00 C ATOM 1341 CD LYS A 95 -14.261 -8.974 -11.796 1.00 0.00 C ATOM 1342 CE LYS A 95 -13.682 -8.374 -10.513 1.00 0.00 C ATOM 1343 NZ LYS A 95 -13.584 -6.902 -10.627 1.00 0.00 N ATOM 0 H LYS A 95 -14.319 -13.875 -11.100 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.671 -11.743 -13.099 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -15.406 -11.950 -10.500 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -13.865 -11.133 -10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.940 -10.205 -12.358 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.983 -9.660 -10.693 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.461 -9.423 -12.385 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.700 -8.184 -12.405 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.313 -8.638 -9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.696 -8.796 -10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.189 -6.511 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.963 -6.656 -11.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.530 -6.503 -10.789 1.00 0.00 H new ATOM 1352 N PHE A 96 -11.819 -12.594 -11.734 1.00 0.00 N ATOM 1353 CA PHE A 96 -10.378 -12.472 -11.874 1.00 0.00 C ATOM 1354 C PHE A 96 -9.981 -11.036 -12.224 1.00 0.00 C ATOM 1355 O PHE A 96 -9.493 -10.774 -13.322 1.00 0.00 O ATOM 1356 CB PHE A 96 -9.960 -13.397 -13.017 1.00 0.00 C ATOM 1357 CG PHE A 96 -10.526 -12.997 -14.381 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -11.820 -13.281 -14.691 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -9.735 -12.356 -15.285 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -12.345 -12.909 -15.956 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -10.261 -11.985 -16.550 1.00 0.00 C ATOM 1362 CZ PHE A 96 -11.554 -12.269 -16.859 1.00 0.00 C ATOM 0 H PHE A 96 -12.124 -13.255 -11.019 1.00 0.00 H new ATOM 0 HA PHE A 96 -9.889 -12.737 -10.937 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.872 -13.414 -13.078 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -10.282 -14.412 -12.785 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -12.448 -13.790 -13.974 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -8.708 -12.130 -15.040 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -13.372 -13.134 -16.202 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -9.634 -11.477 -17.267 1.00 0.00 H new ATOM 0 HZ PHE A 96 -11.953 -11.986 -17.822 1.00 0.00 H new ATOM 1371 N GLY A 97 -10.204 -10.145 -11.269 1.00 0.00 N ATOM 1372 CA GLY A 97 -9.875 -8.743 -11.464 1.00 0.00 C ATOM 1373 C GLY A 97 -8.526 -8.403 -10.827 1.00 0.00 C ATOM 1374 O GLY A 97 -8.401 -8.380 -9.604 1.00 0.00 O ATOM 0 H GLY A 97 -10.608 -10.366 -10.359 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.845 -8.518 -12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.655 -8.119 -11.028 1.00 0.00 H new ATOM 1378 N PRO A 98 -7.525 -8.141 -11.709 1.00 0.00 N ATOM 1379 CA PRO A 98 -6.190 -7.803 -11.246 1.00 0.00 C ATOM 1380 C PRO A 98 -6.141 -6.370 -10.711 1.00 0.00 C ATOM 1381 O PRO A 98 -6.165 -5.414 -11.484 1.00 0.00 O ATOM 1382 CB PRO A 98 -5.289 -8.017 -12.452 1.00 0.00 C ATOM 1383 CG PRO A 98 -6.208 -8.017 -13.664 1.00 0.00 C ATOM 1384 CD PRO A 98 -7.637 -8.158 -13.165 1.00 0.00 C ATOM 0 HA PRO A 98 -5.867 -8.421 -10.409 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.543 -7.226 -12.527 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -4.747 -8.960 -12.373 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -6.091 -7.094 -14.232 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -5.955 -8.838 -14.335 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.264 -7.342 -13.523 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.089 -9.085 -13.517 1.00 0.00 H new ATOM 1389 N GLY A 99 -6.073 -6.267 -9.392 1.00 0.00 N ATOM 1390 CA GLY A 99 -6.020 -4.968 -8.745 1.00 0.00 C ATOM 1391 C GLY A 99 -4.635 -4.334 -8.897 1.00 0.00 C ATOM 1392 O GLY A 99 -3.778 -4.493 -8.029 1.00 0.00 O ATOM 0 H GLY A 99 -6.053 -7.062 -8.754 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.774 -4.311 -9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.261 -5.075 -7.687 1.00 0.00 H new ATOM 1396 N ALA A 100 -4.461 -3.631 -10.005 1.00 0.00 N ATOM 1397 CA ALA A 100 -3.195 -2.973 -10.283 1.00 0.00 C ATOM 1398 C ALA A 100 -3.283 -1.507 -9.857 1.00 0.00 C ATOM 1399 O ALA A 100 -4.332 -1.049 -9.408 1.00 0.00 O ATOM 1400 CB ALA A 100 -2.851 -3.131 -11.766 1.00 0.00 C ATOM 0 H ALA A 100 -5.175 -3.502 -10.722 1.00 0.00 H new ATOM 0 HA ALA A 100 -2.389 -3.434 -9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.902 -2.637 -11.974 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.770 -4.190 -12.010 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.636 -2.678 -12.372 1.00 0.00 H new ATOM 1406 N VAL A 101 -2.167 -0.810 -10.013 1.00 0.00 N ATOM 1407 CA VAL A 101 -2.104 0.596 -9.649 1.00 0.00 C ATOM 1408 C VAL A 101 -3.108 1.381 -10.497 1.00 0.00 C ATOM 1409 O VAL A 101 -3.735 2.321 -10.010 1.00 0.00 O ATOM 1410 CB VAL A 101 -0.671 1.110 -9.792 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -0.406 1.614 -11.212 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -0.374 2.199 -8.760 1.00 0.00 C ATOM 0 H VAL A 101 -1.299 -1.193 -10.387 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.381 0.734 -8.604 1.00 0.00 H new ATOM 0 HB VAL A 101 0.004 0.275 -9.603 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.620 1.974 -11.285 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.557 0.800 -11.921 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.093 2.428 -11.443 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.651 2.547 -8.883 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.060 3.033 -8.904 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.501 1.793 -7.756 1.00 0.00 H new ATOM 1422 N ILE A 102 -3.229 0.967 -11.750 1.00 0.00 N ATOM 1423 CA ILE A 102 -4.145 1.621 -12.669 1.00 0.00 C ATOM 1424 C ILE A 102 -5.575 1.468 -12.149 1.00 0.00 C ATOM 1425 O ILE A 102 -6.385 2.386 -12.271 1.00 0.00 O ATOM 1426 CB ILE A 102 -3.946 1.091 -14.090 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -4.551 2.047 -15.121 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -4.501 -0.328 -14.229 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -4.035 1.734 -16.528 1.00 0.00 C ATOM 0 H ILE A 102 -2.708 0.187 -12.150 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.937 2.690 -12.721 1.00 0.00 H new ATOM 0 HB ILE A 102 -2.875 1.038 -14.288 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.638 1.967 -15.102 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.302 3.075 -14.859 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.347 -0.681 -15.249 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -3.985 -0.990 -13.534 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.567 -0.325 -14.004 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.480 2.427 -17.241 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.950 1.838 -16.549 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.307 0.713 -16.796 1.00 0.00 H new ATOM 1440 N LYS A 103 -5.844 0.302 -11.582 1.00 0.00 N ATOM 1441 CA LYS A 103 -7.164 0.017 -11.044 1.00 0.00 C ATOM 1442 C LYS A 103 -7.442 0.951 -9.866 1.00 0.00 C ATOM 1443 O LYS A 103 -8.575 1.384 -9.667 1.00 0.00 O ATOM 1444 CB LYS A 103 -7.291 -1.467 -10.695 1.00 0.00 C ATOM 1445 CG LYS A 103 -6.845 -2.347 -11.865 1.00 0.00 C ATOM 1446 CD LYS A 103 -7.613 -1.992 -13.140 1.00 0.00 C ATOM 1447 CE LYS A 103 -8.073 -3.255 -13.871 1.00 0.00 C ATOM 1448 NZ LYS A 103 -7.321 -3.426 -15.135 1.00 0.00 N ATOM 0 H LYS A 103 -5.170 -0.457 -11.483 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.931 0.212 -11.794 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.686 -1.690 -9.816 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -8.325 -1.696 -10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.775 -2.221 -12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.007 -3.396 -11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.477 -1.377 -12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.979 -1.397 -13.797 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.925 -4.126 -13.232 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.141 -3.192 -14.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.646 -4.288 -15.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.483 -2.603 -15.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.305 -3.508 -14.926 1.00 0.00 H new ATOM 1457 N GLU A 104 -6.387 1.237 -9.116 1.00 0.00 N ATOM 1458 CA GLU A 104 -6.504 2.112 -7.962 1.00 0.00 C ATOM 1459 C GLU A 104 -7.294 3.370 -8.329 1.00 0.00 C ATOM 1460 O GLU A 104 -8.077 3.872 -7.523 1.00 0.00 O ATOM 1461 CB GLU A 104 -5.125 2.475 -7.407 1.00 0.00 C ATOM 1462 CG GLU A 104 -4.647 3.819 -7.959 1.00 0.00 C ATOM 1463 CD GLU A 104 -5.318 4.982 -7.224 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -6.013 4.764 -6.221 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -5.097 6.147 -7.732 1.00 0.00 O ATOM 0 H GLU A 104 -5.447 0.878 -9.285 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.046 1.580 -7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.167 2.519 -6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.408 1.696 -7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.565 3.895 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.871 3.879 -9.024 1.00 0.00 H new ATOM 1471 N PHE A 105 -7.063 3.843 -9.544 1.00 0.00 N ATOM 1472 CA PHE A 105 -7.744 5.032 -10.027 1.00 0.00 C ATOM 1473 C PHE A 105 -9.249 4.949 -9.763 1.00 0.00 C ATOM 1474 O PHE A 105 -9.890 5.959 -9.479 1.00 0.00 O ATOM 1475 CB PHE A 105 -7.507 5.101 -11.537 1.00 0.00 C ATOM 1476 CG PHE A 105 -7.291 6.519 -12.069 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -7.722 7.589 -11.347 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -6.669 6.711 -13.263 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -7.521 8.905 -11.841 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -6.469 8.027 -13.757 1.00 0.00 C ATOM 1481 CZ PHE A 105 -6.899 9.096 -13.035 1.00 0.00 C ATOM 0 H PHE A 105 -6.413 3.424 -10.209 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.361 5.914 -9.514 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.636 4.494 -11.786 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -8.361 4.658 -12.049 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -8.217 7.437 -10.399 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.327 5.862 -13.836 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.862 9.755 -11.268 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.976 8.179 -14.706 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.746 10.097 -13.410 1.00 0.00 H new ATOM 1490 N LYS A 106 -9.768 3.733 -9.865 1.00 0.00 N ATOM 1491 CA LYS A 106 -11.185 3.505 -9.641 1.00 0.00 C ATOM 1492 C LYS A 106 -11.615 4.217 -8.357 1.00 0.00 C ATOM 1493 O LYS A 106 -12.783 4.569 -8.200 1.00 0.00 O ATOM 1494 CB LYS A 106 -11.493 2.006 -9.644 1.00 0.00 C ATOM 1495 CG LYS A 106 -11.016 1.345 -8.350 1.00 0.00 C ATOM 1496 CD LYS A 106 -10.864 -0.167 -8.529 1.00 0.00 C ATOM 1497 CE LYS A 106 -11.141 -0.906 -7.219 1.00 0.00 C ATOM 1498 NZ LYS A 106 -12.556 -1.336 -7.155 1.00 0.00 N ATOM 0 H LYS A 106 -9.233 2.897 -10.099 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.772 3.930 -10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.566 1.852 -9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.008 1.533 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.062 1.777 -8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.727 1.550 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.551 -0.516 -9.300 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.856 -0.396 -8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.487 -1.774 -7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.913 -0.257 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.727 -1.836 -6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.175 -0.502 -7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.762 -1.972 -7.951 1.00 0.00 H new ATOM 1507 N ILE A 107 -10.647 4.409 -7.472 1.00 0.00 N ATOM 1508 CA ILE A 107 -10.912 5.073 -6.207 1.00 0.00 C ATOM 1509 C ILE A 107 -11.874 6.240 -6.439 1.00 0.00 C ATOM 1510 O ILE A 107 -12.796 6.455 -5.654 1.00 0.00 O ATOM 1511 CB ILE A 107 -9.601 5.481 -5.532 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -9.855 6.035 -4.129 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -8.820 6.466 -6.404 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -8.887 7.175 -3.805 1.00 0.00 C ATOM 0 H ILE A 107 -9.679 4.117 -7.606 1.00 0.00 H new ATOM 0 HA ILE A 107 -11.402 4.390 -5.513 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.983 4.590 -5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.882 6.394 -4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.743 5.238 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.892 6.740 -5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.590 6.000 -7.362 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.421 7.360 -6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.090 7.550 -2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.862 6.807 -3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.019 7.981 -4.527 1.00 0.00 H new ATOM 1525 N THR A 108 -11.625 6.964 -7.521 1.00 0.00 N ATOM 1526 CA THR A 108 -12.457 8.103 -7.867 1.00 0.00 C ATOM 1527 C THR A 108 -12.767 8.103 -9.364 1.00 0.00 C ATOM 1528 O THR A 108 -13.912 8.307 -9.766 1.00 0.00 O ATOM 1529 CB THR A 108 -11.742 9.371 -7.394 1.00 0.00 C ATOM 1530 OG1 THR A 108 -10.419 9.233 -7.903 1.00 0.00 O ATOM 1531 CG2 THR A 108 -11.557 9.408 -5.876 1.00 0.00 C ATOM 0 H THR A 108 -10.859 6.783 -8.169 1.00 0.00 H new ATOM 0 HA THR A 108 -13.425 8.052 -7.368 1.00 0.00 H new ATOM 0 HB THR A 108 -12.308 10.247 -7.711 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.886 10.014 -7.644 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.045 10.328 -5.594 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.532 9.372 -5.390 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.962 8.551 -5.561 1.00 0.00 H new ATOM 1539 N ASP A 109 -11.727 7.869 -10.152 1.00 0.00 N ATOM 1540 CA ASP A 109 -11.873 7.839 -11.597 1.00 0.00 C ATOM 1541 C ASP A 109 -13.175 7.123 -11.959 1.00 0.00 C ATOM 1542 O ASP A 109 -13.977 7.639 -12.735 1.00 0.00 O ATOM 1543 CB ASP A 109 -10.718 7.079 -12.251 1.00 0.00 C ATOM 1544 CG ASP A 109 -11.012 6.535 -13.651 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -10.711 7.182 -14.665 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -11.586 5.380 -13.678 1.00 0.00 O ATOM 0 H ASP A 109 -10.779 7.698 -9.816 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.878 8.868 -11.957 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -9.854 7.741 -12.309 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.439 6.246 -11.605 1.00 0.00 H new TER 1551 ASP A 109