USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 642 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 94 GLN : amide:sc= -0.367 X(o=-1.5,f=-1.6) USER MOD Set 1.2: A 95 ASN : amide:sc= -1.14! C(o=-1.5!,f=-8.4!) USER MOD Set 2.1: A 59 SER OG : rot -70:sc= 1.25 USER MOD Set 2.2: A 73 CYS SG : rot 171:sc= -1.18 USER MOD Set 3.1: A 53 GLN : amide:sc= 0 X(o=2.1,f=2.1) USER MOD Set 3.2: A 54 ASN : amide:sc= 0.94 K(o=2.1,f=-0.97) USER MOD Set 3.3: A 57 HIS : no HE2:sc= 1.19 K(o=2.1,f=-7.7!) USER MOD Set 4.1: A 14 ASN : amide:sc= 1.17 K(o=3.4,f=0.74) USER MOD Set 4.2: A 18 THR OG1 : rot -105:sc= 2.25 USER MOD Single : A 2 SER OG : rot -31:sc= -0.026 USER MOD Single : A 3 TYR OH : rot 37:sc= 0.384 USER MOD Single : A 6 SER OG : rot 110:sc= 0.0561 USER MOD Single : A 7 SER OG : rot -176:sc= -2.91! USER MOD Single : A 9 ASN : amide:sc= 1.2 K(o=1.2,f=-1.1) USER MOD Single : A 13 THR OG1 : rot -149:sc= -1.43 USER MOD Single : A 23 CYS SG : rot -90:sc= -2.03! USER MOD Single : A 25 ASN : amide:sc= -2.87! C(o=-2.9!,f=-13!) USER MOD Single : A 29 ASN : amide:sc= -0.316 K(o=-0.32,f=-2.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 133:sc= 1.23 USER MOD Single : A 39 THR OG1 : rot -35:sc= 0.64 USER MOD Single : A 40 CYS SG : rot 22:sc= -2.09! USER MOD Single : A 43 ASN : amide:sc= -6.05! C(o=-6!,f=-6.6!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 154:sc= 0 (180deg=-1.08) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 58 SER OG : rot 85:sc= 1.02 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 32:sc= 0.0856 USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= 1.83 (180deg=1.65) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.233 F(o=-3.6!,f=-0.23) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.618 F(o=-1.4!,f=-0.62) USER MOD Single : A 97 ASN : amide:sc= -0.95 X(o=-0.95,f=-0.97) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 2.142 12.142 -0.236 1.00 0.00 N ATOM 17 CA SER A 2 2.611 10.853 0.235 1.00 0.00 C ATOM 18 C SER A 2 4.117 10.703 0.034 1.00 0.00 C ATOM 19 O SER A 2 4.769 11.604 -0.501 1.00 0.00 O ATOM 20 CB SER A 2 1.856 9.724 -0.460 1.00 0.00 C ATOM 21 OG SER A 2 1.784 9.947 -1.855 1.00 0.00 O ATOM 0 HA SER A 2 2.414 10.794 1.305 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.354 8.774 -0.265 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.850 9.647 -0.048 1.00 0.00 H new ATOM 0 HG SER A 2 1.765 10.911 -2.032 1.00 0.00 H new ATOM 26 N TYR A 3 4.655 9.574 0.464 1.00 0.00 N ATOM 27 CA TYR A 3 6.081 9.286 0.351 1.00 0.00 C ATOM 28 C TYR A 3 6.568 9.325 -1.100 1.00 0.00 C ATOM 29 O TYR A 3 7.660 9.823 -1.383 1.00 0.00 O ATOM 30 CB TYR A 3 6.369 7.903 0.954 1.00 0.00 C ATOM 31 CG TYR A 3 5.776 6.747 0.165 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.403 6.522 0.138 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.592 5.893 -0.569 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.864 5.486 -0.595 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.059 4.852 -1.302 1.00 0.00 C ATOM 36 CZ TYR A 3 4.694 4.652 -1.312 1.00 0.00 C ATOM 37 OH TYR A 3 4.155 3.624 -2.046 1.00 0.00 O ATOM 0 H TYR A 3 4.116 8.827 0.903 1.00 0.00 H new ATOM 0 HA TYR A 3 6.620 10.060 0.897 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.448 7.766 1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.978 7.873 1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.748 7.170 0.701 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.661 6.047 -0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.796 5.329 -0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.707 4.197 -1.865 1.00 0.00 H new ATOM 0 HH TYR A 3 3.308 3.915 -2.443 1.00 0.00 H new ATOM 46 N ALA A 4 5.737 8.822 -2.011 1.00 0.00 N ATOM 47 CA ALA A 4 6.073 8.732 -3.434 1.00 0.00 C ATOM 48 C ALA A 4 6.480 10.067 -4.056 1.00 0.00 C ATOM 49 O ALA A 4 7.118 10.088 -5.110 1.00 0.00 O ATOM 50 CB ALA A 4 4.910 8.128 -4.199 1.00 0.00 C ATOM 0 H ALA A 4 4.809 8.464 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 4 6.949 8.087 -3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.165 8.063 -5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.701 7.130 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.028 8.757 -4.076 1.00 0.00 H new ATOM 56 N ASP A 5 6.126 11.174 -3.413 1.00 0.00 N ATOM 57 CA ASP A 5 6.466 12.496 -3.933 1.00 0.00 C ATOM 58 C ASP A 5 7.980 12.679 -4.018 1.00 0.00 C ATOM 59 O ASP A 5 8.492 13.287 -4.956 1.00 0.00 O ATOM 60 CB ASP A 5 5.862 13.592 -3.057 1.00 0.00 C ATOM 61 CG ASP A 5 5.997 14.967 -3.682 1.00 0.00 C ATOM 62 OD1 ASP A 5 5.093 15.368 -4.446 1.00 0.00 O ATOM 63 OD2 ASP A 5 6.995 15.663 -3.404 1.00 0.00 O ATOM 0 H ASP A 5 5.606 11.184 -2.535 1.00 0.00 H new ATOM 0 HA ASP A 5 6.049 12.574 -4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.808 13.376 -2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.353 13.588 -2.084 1.00 0.00 H new ATOM 67 N SER A 6 8.695 12.134 -3.041 1.00 0.00 N ATOM 68 CA SER A 6 10.141 12.238 -3.015 1.00 0.00 C ATOM 69 C SER A 6 10.753 10.860 -2.782 1.00 0.00 C ATOM 70 O SER A 6 11.651 10.690 -1.956 1.00 0.00 O ATOM 71 CB SER A 6 10.583 13.225 -1.930 1.00 0.00 C ATOM 72 OG SER A 6 11.941 13.615 -2.095 1.00 0.00 O ATOM 0 H SER A 6 8.293 11.617 -2.259 1.00 0.00 H new ATOM 0 HA SER A 6 10.492 12.615 -3.976 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.945 14.108 -1.959 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.452 12.770 -0.948 1.00 0.00 H new ATOM 0 HG SER A 6 11.980 14.552 -2.380 1.00 0.00 H new ATOM 77 N SER A 7 10.237 9.870 -3.497 1.00 0.00 N ATOM 78 CA SER A 7 10.741 8.513 -3.388 1.00 0.00 C ATOM 79 C SER A 7 10.632 7.803 -4.727 1.00 0.00 C ATOM 80 O SER A 7 9.941 8.271 -5.637 1.00 0.00 O ATOM 81 CB SER A 7 9.996 7.727 -2.305 1.00 0.00 C ATOM 82 OG SER A 7 8.622 7.622 -2.603 1.00 0.00 O ATOM 0 H SER A 7 9.469 9.984 -4.159 1.00 0.00 H new ATOM 0 HA SER A 7 11.791 8.566 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.428 6.730 -2.214 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.125 8.220 -1.341 1.00 0.00 H new ATOM 0 HG SER A 7 8.161 7.169 -1.866 1.00 0.00 H new ATOM 87 N ARG A 8 11.318 6.681 -4.842 1.00 0.00 N ATOM 88 CA ARG A 8 11.315 5.902 -6.069 1.00 0.00 C ATOM 89 C ARG A 8 11.489 4.420 -5.765 1.00 0.00 C ATOM 90 O ARG A 8 11.854 4.051 -4.646 1.00 0.00 O ATOM 91 CB ARG A 8 12.431 6.370 -7.009 1.00 0.00 C ATOM 92 CG ARG A 8 13.828 6.211 -6.428 1.00 0.00 C ATOM 93 CD ARG A 8 14.895 6.640 -7.421 1.00 0.00 C ATOM 94 NE ARG A 8 14.834 5.864 -8.660 1.00 0.00 N ATOM 95 CZ ARG A 8 15.844 5.761 -9.525 1.00 0.00 C ATOM 96 NH1 ARG A 8 16.999 6.361 -9.275 1.00 0.00 N ATOM 97 NH2 ARG A 8 15.698 5.051 -10.636 1.00 0.00 N ATOM 0 H ARG A 8 11.889 6.285 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 8 10.353 6.052 -6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.369 5.808 -7.941 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.268 7.419 -7.258 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.915 6.806 -5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.990 5.171 -6.145 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.773 7.699 -7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.880 6.523 -6.968 1.00 0.00 H new ATOM 0 HE ARG A 8 13.967 5.372 -8.875 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.117 6.903 -8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.770 6.280 -9.938 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.813 4.583 -10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.471 4.973 -11.297 1.00 0.00 H new ATOM 108 N ASN A 9 11.226 3.590 -6.772 1.00 0.00 N ATOM 109 CA ASN A 9 11.352 2.139 -6.656 1.00 0.00 C ATOM 110 C ASN A 9 10.446 1.596 -5.564 1.00 0.00 C ATOM 111 O ASN A 9 10.897 0.898 -4.652 1.00 0.00 O ATOM 112 CB ASN A 9 12.808 1.733 -6.398 1.00 0.00 C ATOM 113 CG ASN A 9 13.703 2.004 -7.592 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.266 1.921 -8.742 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.955 2.346 -7.334 1.00 0.00 N ATOM 0 H ASN A 9 10.919 3.905 -7.692 1.00 0.00 H new ATOM 0 HA ASN A 9 11.038 1.703 -7.605 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.186 2.277 -5.533 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.848 0.672 -6.150 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.596 2.552 -8.100 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.279 2.404 -6.369 1.00 0.00 H new ATOM 121 N ALA A 10 9.166 1.921 -5.667 1.00 0.00 N ATOM 122 CA ALA A 10 8.188 1.470 -4.693 1.00 0.00 C ATOM 123 C ALA A 10 7.662 0.097 -5.081 1.00 0.00 C ATOM 124 O ALA A 10 7.051 -0.071 -6.139 1.00 0.00 O ATOM 125 CB ALA A 10 7.051 2.474 -4.578 1.00 0.00 C ATOM 0 H ALA A 10 8.782 2.496 -6.417 1.00 0.00 H new ATOM 0 HA ALA A 10 8.669 1.392 -3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.327 2.121 -3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.448 3.438 -4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.563 2.583 -5.546 1.00 0.00 H new ATOM 131 N VAL A 11 7.907 -0.883 -4.227 1.00 0.00 N ATOM 132 CA VAL A 11 7.470 -2.249 -4.480 1.00 0.00 C ATOM 133 C VAL A 11 6.620 -2.768 -3.325 1.00 0.00 C ATOM 134 O VAL A 11 6.565 -2.153 -2.257 1.00 0.00 O ATOM 135 CB VAL A 11 8.673 -3.197 -4.690 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.498 -2.764 -5.892 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.539 -3.255 -3.441 1.00 0.00 C ATOM 0 H VAL A 11 8.409 -0.758 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 11 6.873 -2.231 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 11 8.285 -4.197 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.339 -3.445 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.875 -2.783 -6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.872 -1.753 -5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.379 -3.928 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.914 -2.258 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.945 -3.621 -2.603 1.00 0.00 H new ATOM 147 N LEU A 12 5.971 -3.906 -3.544 1.00 0.00 N ATOM 148 CA LEU A 12 5.123 -4.514 -2.527 1.00 0.00 C ATOM 149 C LEU A 12 5.819 -5.721 -1.919 1.00 0.00 C ATOM 150 O LEU A 12 6.060 -6.717 -2.603 1.00 0.00 O ATOM 151 CB LEU A 12 3.776 -4.958 -3.121 1.00 0.00 C ATOM 152 CG LEU A 12 2.798 -3.842 -3.499 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.592 -2.894 -2.329 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.272 -3.091 -4.735 1.00 0.00 C ATOM 0 H LEU A 12 6.017 -4.427 -4.420 1.00 0.00 H new ATOM 0 HA LEU A 12 4.939 -3.765 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.975 -5.554 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.285 -5.614 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 12 1.838 -4.299 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.894 -2.108 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.188 -3.446 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.546 -2.448 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.558 -2.305 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.248 -2.647 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.351 -3.783 -5.573 1.00 0.00 H new ATOM 165 N THR A 13 6.138 -5.631 -0.639 1.00 0.00 N ATOM 166 CA THR A 13 6.806 -6.719 0.052 1.00 0.00 C ATOM 167 C THR A 13 5.873 -7.388 1.059 1.00 0.00 C ATOM 168 O THR A 13 4.787 -6.869 1.356 1.00 0.00 O ATOM 169 CB THR A 13 8.081 -6.220 0.766 1.00 0.00 C ATOM 170 OG1 THR A 13 7.795 -5.031 1.517 1.00 0.00 O ATOM 171 CG2 THR A 13 9.184 -5.935 -0.242 1.00 0.00 C ATOM 0 H THR A 13 5.945 -4.815 -0.058 1.00 0.00 H new ATOM 0 HA THR A 13 7.091 -7.456 -0.698 1.00 0.00 H new ATOM 0 HB THR A 13 8.420 -7.002 1.445 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.593 -4.464 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.074 -5.585 0.281 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.421 -6.847 -0.790 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.849 -5.169 -0.941 1.00 0.00 H new ATOM 179 N ASN A 14 6.292 -8.554 1.552 1.00 0.00 N ATOM 180 CA ASN A 14 5.520 -9.317 2.536 1.00 0.00 C ATOM 181 C ASN A 14 4.155 -9.712 1.988 1.00 0.00 C ATOM 182 O ASN A 14 3.126 -9.486 2.626 1.00 0.00 O ATOM 183 CB ASN A 14 5.358 -8.519 3.834 1.00 0.00 C ATOM 184 CG ASN A 14 6.642 -8.428 4.635 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.474 -9.336 4.611 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.816 -7.330 5.348 1.00 0.00 N ATOM 0 H ASN A 14 7.171 -8.995 1.283 1.00 0.00 H new ATOM 0 HA ASN A 14 6.075 -10.230 2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.013 -7.513 3.595 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.586 -8.984 4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.663 -7.212 5.904 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.104 -6.600 5.342 1.00 0.00 H new ATOM 192 N GLY A 15 4.149 -10.288 0.793 1.00 0.00 N ATOM 193 CA GLY A 15 2.905 -10.713 0.177 1.00 0.00 C ATOM 194 C GLY A 15 2.206 -9.583 -0.547 1.00 0.00 C ATOM 195 O GLY A 15 1.505 -9.806 -1.536 1.00 0.00 O ATOM 0 H GLY A 15 4.985 -10.469 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.108 -11.521 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.242 -11.116 0.943 1.00 0.00 H new ATOM 199 N GLY A 16 2.401 -8.372 -0.054 1.00 0.00 N ATOM 200 CA GLY A 16 1.783 -7.212 -0.656 1.00 0.00 C ATOM 201 C GLY A 16 1.096 -6.361 0.383 1.00 0.00 C ATOM 202 O GLY A 16 -0.056 -5.972 0.218 1.00 0.00 O ATOM 0 H GLY A 16 2.982 -8.171 0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.539 -6.621 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.059 -7.530 -1.406 1.00 0.00 H new ATOM 206 N ARG A 17 1.801 -6.085 1.464 1.00 0.00 N ATOM 207 CA ARG A 17 1.245 -5.284 2.544 1.00 0.00 C ATOM 208 C ARG A 17 2.215 -4.193 2.976 1.00 0.00 C ATOM 209 O ARG A 17 1.808 -3.146 3.486 1.00 0.00 O ATOM 210 CB ARG A 17 0.907 -6.178 3.736 1.00 0.00 C ATOM 211 CG ARG A 17 2.112 -6.901 4.319 1.00 0.00 C ATOM 212 CD ARG A 17 1.716 -7.799 5.474 1.00 0.00 C ATOM 213 NE ARG A 17 2.882 -8.356 6.157 1.00 0.00 N ATOM 214 CZ ARG A 17 3.378 -7.876 7.298 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.818 -6.833 7.895 1.00 0.00 N ATOM 216 NH2 ARG A 17 4.448 -8.442 7.843 1.00 0.00 N ATOM 0 H ARG A 17 2.758 -6.402 1.620 1.00 0.00 H new ATOM 0 HA ARG A 17 0.336 -4.807 2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.447 -5.571 4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.166 -6.916 3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.591 -7.496 3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.846 -6.171 4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.115 -7.232 6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.090 -8.611 5.104 1.00 0.00 H new ATOM 0 HE ARG A 17 3.345 -9.161 5.735 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.998 -6.388 7.482 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.207 -6.475 8.767 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.889 -9.242 7.389 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.829 -8.077 8.716 1.00 0.00 H new ATOM 227 N THR A 18 3.497 -4.443 2.778 1.00 0.00 N ATOM 228 CA THR A 18 4.518 -3.497 3.158 1.00 0.00 C ATOM 229 C THR A 18 5.013 -2.716 1.944 1.00 0.00 C ATOM 230 O THR A 18 5.266 -3.290 0.881 1.00 0.00 O ATOM 231 CB THR A 18 5.696 -4.229 3.817 1.00 0.00 C ATOM 232 OG1 THR A 18 5.196 -5.236 4.714 1.00 0.00 O ATOM 233 CG2 THR A 18 6.585 -3.258 4.576 1.00 0.00 C ATOM 0 H THR A 18 3.852 -5.300 2.353 1.00 0.00 H new ATOM 0 HA THR A 18 4.084 -2.795 3.870 1.00 0.00 H new ATOM 0 HB THR A 18 6.293 -4.697 3.035 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.303 -4.932 5.639 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.411 -3.802 5.033 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.979 -2.511 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.003 -2.763 5.353 1.00 0.00 H new ATOM 241 N LEU A 19 5.121 -1.407 2.103 1.00 0.00 N ATOM 242 CA LEU A 19 5.599 -0.541 1.036 1.00 0.00 C ATOM 243 C LEU A 19 7.091 -0.312 1.174 1.00 0.00 C ATOM 244 O LEU A 19 7.537 0.262 2.165 1.00 0.00 O ATOM 245 CB LEU A 19 4.896 0.817 1.075 1.00 0.00 C ATOM 246 CG LEU A 19 3.417 0.812 0.709 1.00 0.00 C ATOM 247 CD1 LEU A 19 2.860 2.223 0.790 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.215 0.241 -0.684 1.00 0.00 C ATOM 0 H LEU A 19 4.883 -0.918 2.966 1.00 0.00 H new ATOM 0 HA LEU A 19 5.380 -1.035 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.001 1.230 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.416 1.493 0.396 1.00 0.00 H new ATOM 0 HG LEU A 19 2.882 0.180 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.802 2.212 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.978 2.603 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.400 2.868 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.153 0.245 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.757 0.849 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.591 -0.782 -0.716 1.00 0.00 H new ATOM 259 N ARG A 20 7.863 -0.771 0.204 1.00 0.00 N ATOM 260 CA ARG A 20 9.299 -0.566 0.246 1.00 0.00 C ATOM 261 C ARG A 20 9.727 0.342 -0.893 1.00 0.00 C ATOM 262 O ARG A 20 9.497 0.029 -2.062 1.00 0.00 O ATOM 263 CB ARG A 20 10.055 -1.888 0.147 1.00 0.00 C ATOM 264 CG ARG A 20 11.548 -1.724 0.384 1.00 0.00 C ATOM 265 CD ARG A 20 12.316 -3.002 0.104 1.00 0.00 C ATOM 266 NE ARG A 20 12.390 -3.297 -1.324 1.00 0.00 N ATOM 267 CZ ARG A 20 12.505 -4.524 -1.821 1.00 0.00 C ATOM 268 NH1 ARG A 20 12.503 -5.578 -1.007 1.00 0.00 N ATOM 269 NH2 ARG A 20 12.604 -4.700 -3.133 1.00 0.00 N ATOM 0 H ARG A 20 7.525 -1.281 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 20 9.540 -0.102 1.203 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.650 -2.590 0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.893 -2.323 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.930 -0.926 -0.253 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.719 -1.418 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.324 -2.914 0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.836 -3.833 0.621 1.00 0.00 H new ATOM 0 HE ARG A 20 12.351 -2.516 -1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.413 -5.444 0.000 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.591 -6.519 -1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.592 -3.894 -3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.692 -5.641 -3.516 1.00 0.00 H new ATOM 280 N ALA A 21 10.345 1.462 -0.553 1.00 0.00 N ATOM 281 CA ALA A 21 10.804 2.406 -1.554 1.00 0.00 C ATOM 282 C ALA A 21 11.984 3.210 -1.032 1.00 0.00 C ATOM 283 O ALA A 21 12.266 3.213 0.171 1.00 0.00 O ATOM 284 CB ALA A 21 9.668 3.339 -1.952 1.00 0.00 C ATOM 0 H ALA A 21 10.539 1.738 0.410 1.00 0.00 H new ATOM 0 HA ALA A 21 11.129 1.848 -2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.023 4.044 -2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.844 2.755 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.323 3.887 -1.075 1.00 0.00 H new ATOM 290 N GLU A 22 12.664 3.890 -1.939 1.00 0.00 N ATOM 291 CA GLU A 22 13.793 4.731 -1.582 1.00 0.00 C ATOM 292 C GLU A 22 13.273 6.117 -1.293 1.00 0.00 C ATOM 293 O GLU A 22 12.885 6.836 -2.209 1.00 0.00 O ATOM 294 CB GLU A 22 14.819 4.785 -2.717 1.00 0.00 C ATOM 295 CG GLU A 22 15.550 3.471 -2.915 1.00 0.00 C ATOM 296 CD GLU A 22 16.402 3.452 -4.160 1.00 0.00 C ATOM 297 OE1 GLU A 22 17.270 4.334 -4.311 1.00 0.00 O ATOM 298 OE2 GLU A 22 16.201 2.554 -5.002 1.00 0.00 O ATOM 0 H GLU A 22 12.451 3.875 -2.936 1.00 0.00 H new ATOM 0 HA GLU A 22 14.291 4.318 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.314 5.057 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.545 5.571 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.180 3.278 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.822 2.661 -2.967 1.00 0.00 H new ATOM 303 N CYS A 23 13.236 6.480 -0.025 1.00 0.00 N ATOM 304 CA CYS A 23 12.730 7.780 0.361 1.00 0.00 C ATOM 305 C CYS A 23 13.877 8.739 0.593 1.00 0.00 C ATOM 306 O CYS A 23 14.857 8.395 1.254 1.00 0.00 O ATOM 307 CB CYS A 23 11.877 7.652 1.617 1.00 0.00 C ATOM 308 SG CYS A 23 10.572 6.412 1.482 1.00 0.00 S ATOM 0 H CYS A 23 13.549 5.896 0.750 1.00 0.00 H new ATOM 0 HA CYS A 23 12.110 8.174 -0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.521 7.399 2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.426 8.619 1.840 1.00 0.00 H new ATOM 0 HG CYS A 23 9.492 6.967 1.019 1.00 0.00 H new ATOM 313 N ARG A 24 13.775 9.924 0.021 1.00 0.00 N ATOM 314 CA ARG A 24 14.803 10.917 0.175 1.00 0.00 C ATOM 315 C ARG A 24 14.742 11.527 1.565 1.00 0.00 C ATOM 316 O ARG A 24 13.746 12.150 1.936 1.00 0.00 O ATOM 317 CB ARG A 24 14.616 11.986 -0.880 1.00 0.00 C ATOM 318 CG ARG A 24 15.897 12.686 -1.254 1.00 0.00 C ATOM 319 CD ARG A 24 15.662 13.610 -2.423 1.00 0.00 C ATOM 320 NE ARG A 24 14.901 14.797 -2.028 1.00 0.00 N ATOM 321 CZ ARG A 24 15.395 16.035 -1.993 1.00 0.00 C ATOM 322 NH1 ARG A 24 16.648 16.275 -2.362 1.00 0.00 N ATOM 323 NH2 ARG A 24 14.625 17.036 -1.589 1.00 0.00 N ATOM 0 H ARG A 24 12.985 10.216 -0.555 1.00 0.00 H new ATOM 0 HA ARG A 24 15.781 10.453 0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.183 11.534 -1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.900 12.723 -0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.272 13.253 -0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.661 11.951 -1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.620 13.915 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.124 13.077 -3.207 1.00 0.00 H new ATOM 0 HE ARG A 24 13.925 14.668 -1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.243 15.508 -2.676 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.015 17.226 -2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.661 16.857 -1.307 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.996 17.985 -1.560 1.00 0.00 H new ATOM 334 N ASN A 25 15.802 11.340 2.333 1.00 0.00 N ATOM 335 CA ASN A 25 15.854 11.878 3.682 1.00 0.00 C ATOM 336 C ASN A 25 16.237 13.347 3.645 1.00 0.00 C ATOM 337 O ASN A 25 16.676 13.837 2.600 1.00 0.00 O ATOM 338 CB ASN A 25 16.813 11.081 4.586 1.00 0.00 C ATOM 339 CG ASN A 25 18.273 11.128 4.159 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.734 12.086 3.550 1.00 0.00 O ATOM 341 ND2 ASN A 25 19.011 10.083 4.482 1.00 0.00 N ATOM 0 H ASN A 25 16.634 10.823 2.048 1.00 0.00 H new ATOM 0 HA ASN A 25 14.859 11.783 4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.733 11.463 5.604 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.488 10.041 4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.998 10.056 4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.595 9.302 4.990 1.00 0.00 H new ATOM 347 N ALA A 26 16.100 14.031 4.778 1.00 0.00 N ATOM 348 CA ALA A 26 16.411 15.458 4.874 1.00 0.00 C ATOM 349 C ALA A 26 17.825 15.773 4.386 1.00 0.00 C ATOM 350 O ALA A 26 18.071 16.834 3.804 1.00 0.00 O ATOM 351 CB ALA A 26 16.227 15.933 6.307 1.00 0.00 C ATOM 0 H ALA A 26 15.773 13.617 5.651 1.00 0.00 H new ATOM 0 HA ALA A 26 15.719 15.992 4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.460 16.996 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.194 15.769 6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.894 15.375 6.964 1.00 0.00 H new ATOM 357 N ASP A 27 18.745 14.841 4.601 1.00 0.00 N ATOM 358 CA ASP A 27 20.134 15.018 4.181 1.00 0.00 C ATOM 359 C ASP A 27 20.240 14.999 2.657 1.00 0.00 C ATOM 360 O ASP A 27 21.221 15.468 2.078 1.00 0.00 O ATOM 361 CB ASP A 27 21.013 13.918 4.788 1.00 0.00 C ATOM 362 CG ASP A 27 22.482 14.068 4.441 1.00 0.00 C ATOM 363 OD1 ASP A 27 23.166 14.894 5.084 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.965 13.350 3.543 1.00 0.00 O ATOM 0 H ASP A 27 18.556 13.952 5.065 1.00 0.00 H new ATOM 0 HA ASP A 27 20.484 15.986 4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.899 13.928 5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.661 12.947 4.439 1.00 0.00 H new ATOM 368 N GLY A 28 19.206 14.477 2.017 1.00 0.00 N ATOM 369 CA GLY A 28 19.179 14.385 0.574 1.00 0.00 C ATOM 370 C GLY A 28 19.663 13.035 0.099 1.00 0.00 C ATOM 371 O GLY A 28 20.173 12.905 -1.012 1.00 0.00 O ATOM 0 H GLY A 28 18.374 14.111 2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.164 14.556 0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.804 15.169 0.146 1.00 0.00 H new ATOM 375 N ASN A 29 19.498 12.027 0.943 1.00 0.00 N ATOM 376 CA ASN A 29 19.949 10.676 0.614 1.00 0.00 C ATOM 377 C ASN A 29 18.769 9.744 0.400 1.00 0.00 C ATOM 378 O ASN A 29 17.649 10.055 0.794 1.00 0.00 O ATOM 379 CB ASN A 29 20.818 10.115 1.738 1.00 0.00 C ATOM 380 CG ASN A 29 21.643 8.921 1.295 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.979 8.784 0.118 1.00 0.00 O ATOM 382 ND2 ASN A 29 21.980 8.052 2.232 1.00 0.00 N ATOM 0 H ASN A 29 19.057 12.115 1.859 1.00 0.00 H new ATOM 0 HA ASN A 29 20.529 10.740 -0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.484 10.897 2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.182 9.823 2.573 1.00 0.00 H new ATOM 0 HD21 ASN A 29 22.538 7.233 1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 29 21.682 8.201 3.196 1.00 0.00 H new ATOM 388 N TRP A 30 19.030 8.600 -0.213 1.00 0.00 N ATOM 389 CA TRP A 30 17.995 7.613 -0.467 1.00 0.00 C ATOM 390 C TRP A 30 18.057 6.503 0.559 1.00 0.00 C ATOM 391 O TRP A 30 19.027 5.745 0.615 1.00 0.00 O ATOM 392 CB TRP A 30 18.137 7.016 -1.862 1.00 0.00 C ATOM 393 CG TRP A 30 17.881 8.004 -2.948 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.782 8.492 -3.843 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.636 8.638 -3.243 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.168 9.385 -4.683 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.850 9.492 -4.334 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.359 8.561 -2.691 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.834 10.267 -4.881 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.351 9.330 -3.235 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.592 10.172 -4.319 1.00 0.00 C ATOM 0 H TRP A 30 19.956 8.332 -0.545 1.00 0.00 H new ATOM 0 HA TRP A 30 17.033 8.120 -0.396 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.142 6.611 -1.977 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.443 6.182 -1.966 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.826 8.217 -3.886 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.621 9.888 -5.445 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.162 7.911 -1.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.020 10.921 -5.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.358 9.279 -2.813 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.782 10.761 -4.723 1.00 0.00 H new ATOM 411 N VAL A 31 17.029 6.415 1.375 1.00 0.00 N ATOM 412 CA VAL A 31 16.959 5.390 2.393 1.00 0.00 C ATOM 413 C VAL A 31 15.788 4.459 2.143 1.00 0.00 C ATOM 414 O VAL A 31 14.666 4.904 1.886 1.00 0.00 O ATOM 415 CB VAL A 31 16.850 5.980 3.813 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.208 6.457 4.304 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.846 7.121 3.856 1.00 0.00 C ATOM 0 H VAL A 31 16.227 7.044 1.353 1.00 0.00 H new ATOM 0 HA VAL A 31 17.892 4.829 2.331 1.00 0.00 H new ATOM 0 HB VAL A 31 16.498 5.189 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.108 6.870 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.903 5.617 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.588 7.226 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.790 7.518 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.163 7.910 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.865 6.754 3.555 1.00 0.00 H new ATOM 427 N THR A 32 16.063 3.168 2.189 1.00 0.00 N ATOM 428 CA THR A 32 15.040 2.168 1.985 1.00 0.00 C ATOM 429 C THR A 32 14.164 2.079 3.226 1.00 0.00 C ATOM 430 O THR A 32 14.607 1.614 4.278 1.00 0.00 O ATOM 431 CB THR A 32 15.668 0.793 1.701 1.00 0.00 C ATOM 432 OG1 THR A 32 16.729 0.934 0.749 1.00 0.00 O ATOM 433 CG2 THR A 32 14.628 -0.174 1.164 1.00 0.00 C ATOM 0 H THR A 32 16.993 2.789 2.367 1.00 0.00 H new ATOM 0 HA THR A 32 14.437 2.458 1.124 1.00 0.00 H new ATOM 0 HB THR A 32 16.063 0.395 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.128 0.057 0.572 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.095 -1.140 0.970 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.832 -0.297 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.210 0.219 0.237 1.00 0.00 H new ATOM 441 N SER A 33 12.936 2.547 3.110 1.00 0.00 N ATOM 442 CA SER A 33 12.009 2.527 4.224 1.00 0.00 C ATOM 443 C SER A 33 10.788 1.691 3.882 1.00 0.00 C ATOM 444 O SER A 33 10.371 1.636 2.723 1.00 0.00 O ATOM 445 CB SER A 33 11.607 3.953 4.594 1.00 0.00 C ATOM 446 OG SER A 33 12.738 4.704 5.003 1.00 0.00 O ATOM 0 H SER A 33 12.557 2.947 2.252 1.00 0.00 H new ATOM 0 HA SER A 33 12.499 2.072 5.085 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.134 4.436 3.739 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.869 3.931 5.396 1.00 0.00 H new ATOM 0 HG SER A 33 12.735 5.573 4.550 1.00 0.00 H new ATOM 451 N GLU A 34 10.238 1.028 4.887 1.00 0.00 N ATOM 452 CA GLU A 34 9.077 0.180 4.699 1.00 0.00 C ATOM 453 C GLU A 34 8.003 0.491 5.735 1.00 0.00 C ATOM 454 O GLU A 34 8.308 0.745 6.903 1.00 0.00 O ATOM 455 CB GLU A 34 9.481 -1.294 4.797 1.00 0.00 C ATOM 456 CG GLU A 34 10.506 -1.722 3.758 1.00 0.00 C ATOM 457 CD GLU A 34 10.839 -3.197 3.837 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.547 -3.600 4.784 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.395 -3.964 2.957 1.00 0.00 O ATOM 0 H GLU A 34 10.582 1.063 5.847 1.00 0.00 H new ATOM 0 HA GLU A 34 8.669 0.377 3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.885 -1.485 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.590 -1.913 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.126 -1.493 2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.418 -1.140 3.892 1.00 0.00 H new ATOM 464 N LEU A 35 6.755 0.493 5.290 1.00 0.00 N ATOM 465 CA LEU A 35 5.617 0.746 6.168 1.00 0.00 C ATOM 466 C LEU A 35 4.558 -0.313 5.899 1.00 0.00 C ATOM 467 O LEU A 35 4.194 -0.554 4.745 1.00 0.00 O ATOM 468 CB LEU A 35 5.039 2.155 5.930 1.00 0.00 C ATOM 469 CG LEU A 35 4.211 2.764 7.085 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.876 2.055 7.247 1.00 0.00 C ATOM 471 CD2 LEU A 35 5.000 2.711 8.387 1.00 0.00 C ATOM 0 H LEU A 35 6.501 0.321 4.317 1.00 0.00 H new ATOM 0 HA LEU A 35 5.941 0.696 7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.866 2.830 5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.410 2.120 5.040 1.00 0.00 H new ATOM 0 HG LEU A 35 4.007 3.805 6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.320 2.509 8.068 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.301 2.146 6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.048 1.001 7.464 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.404 3.143 9.191 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.236 1.674 8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.925 3.277 8.275 1.00 0.00 H new ATOM 482 N ASP A 36 4.083 -0.952 6.954 1.00 0.00 N ATOM 483 CA ASP A 36 3.068 -1.987 6.819 1.00 0.00 C ATOM 484 C ASP A 36 1.684 -1.362 6.880 1.00 0.00 C ATOM 485 O ASP A 36 1.243 -0.907 7.935 1.00 0.00 O ATOM 486 CB ASP A 36 3.215 -3.031 7.928 1.00 0.00 C ATOM 487 CG ASP A 36 4.589 -3.667 7.956 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.832 -4.609 7.180 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.440 -3.223 8.759 1.00 0.00 O ATOM 0 H ASP A 36 4.382 -0.774 7.913 1.00 0.00 H new ATOM 0 HA ASP A 36 3.200 -2.481 5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.017 -2.561 8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.463 -3.808 7.792 1.00 0.00 H new ATOM 493 N LEU A 37 1.001 -1.334 5.746 1.00 0.00 N ATOM 494 CA LEU A 37 -0.334 -0.750 5.682 1.00 0.00 C ATOM 495 C LEU A 37 -1.419 -1.761 6.045 1.00 0.00 C ATOM 496 O LEU A 37 -2.575 -1.386 6.218 1.00 0.00 O ATOM 497 CB LEU A 37 -0.626 -0.207 4.283 1.00 0.00 C ATOM 498 CG LEU A 37 0.594 0.137 3.433 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.160 0.465 2.016 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.360 1.299 4.041 1.00 0.00 C ATOM 0 H LEU A 37 1.345 -1.706 4.861 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.350 0.062 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.223 -0.944 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.239 0.689 4.383 1.00 0.00 H new ATOM 0 HG LEU A 37 1.258 -0.727 3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.036 0.710 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.349 -0.396 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.519 1.317 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.226 1.529 3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.711 2.173 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.693 1.030 5.043 1.00 0.00 H new ATOM 511 N ASP A 38 -1.058 -3.035 6.180 1.00 0.00 N ATOM 512 CA ASP A 38 -2.047 -4.078 6.493 1.00 0.00 C ATOM 513 C ASP A 38 -2.646 -3.901 7.881 1.00 0.00 C ATOM 514 O ASP A 38 -3.671 -4.501 8.196 1.00 0.00 O ATOM 515 CB ASP A 38 -1.445 -5.479 6.375 1.00 0.00 C ATOM 516 CG ASP A 38 -0.359 -5.740 7.396 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.779 -5.282 7.180 1.00 0.00 O ATOM 518 OD2 ASP A 38 -0.639 -6.408 8.412 1.00 0.00 O ATOM 0 H ASP A 38 -0.101 -3.373 6.080 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.843 -3.971 5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.235 -6.220 6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.035 -5.610 5.374 1.00 0.00 H new ATOM 522 N THR A 39 -2.015 -3.078 8.704 1.00 0.00 N ATOM 523 CA THR A 39 -2.512 -2.825 10.046 1.00 0.00 C ATOM 524 C THR A 39 -3.526 -1.676 10.038 1.00 0.00 C ATOM 525 O THR A 39 -4.063 -1.297 11.080 1.00 0.00 O ATOM 526 CB THR A 39 -1.355 -2.509 11.029 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.862 -2.335 12.361 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.592 -1.258 10.608 1.00 0.00 C ATOM 0 H THR A 39 -1.160 -2.575 8.466 1.00 0.00 H new ATOM 0 HA THR A 39 -3.009 -3.733 10.389 1.00 0.00 H new ATOM 0 HB THR A 39 -0.668 -3.355 11.009 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.741 -1.903 12.323 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.212 -1.066 11.319 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.170 -1.407 9.614 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.272 -0.406 10.590 1.00 0.00 H new ATOM 536 N CYS A 40 -3.786 -1.125 8.858 1.00 0.00 N ATOM 537 CA CYS A 40 -4.730 -0.020 8.728 1.00 0.00 C ATOM 538 C CYS A 40 -5.601 -0.133 7.468 1.00 0.00 C ATOM 539 O CYS A 40 -6.615 0.554 7.347 1.00 0.00 O ATOM 540 CB CYS A 40 -3.969 1.304 8.742 1.00 0.00 C ATOM 541 SG CYS A 40 -2.422 1.261 7.811 1.00 0.00 S ATOM 0 H CYS A 40 -3.359 -1.423 7.981 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.411 -0.062 9.578 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.609 2.085 8.331 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.754 1.579 9.775 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.465 0.294 6.943 1.00 0.00 H new ATOM 546 N ILE A 41 -5.210 -0.994 6.531 1.00 0.00 N ATOM 547 CA ILE A 41 -5.971 -1.189 5.303 1.00 0.00 C ATOM 548 C ILE A 41 -6.601 -2.577 5.280 1.00 0.00 C ATOM 549 O ILE A 41 -5.953 -3.569 5.622 1.00 0.00 O ATOM 550 CB ILE A 41 -5.091 -1.028 4.040 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.491 0.372 3.972 1.00 0.00 C ATOM 552 CG2 ILE A 41 -5.903 -1.315 2.787 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.659 0.612 2.730 1.00 0.00 C ATOM 0 H ILE A 41 -4.369 -1.567 6.601 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.744 -0.421 5.290 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.275 -1.748 4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.296 1.106 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.870 0.536 4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.269 -1.197 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.284 -2.336 2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.739 -0.618 2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.263 1.628 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.833 -0.099 2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.281 0.480 1.844 1.00 0.00 H new ATOM 564 N GLY A 42 -7.861 -2.641 4.878 1.00 0.00 N ATOM 565 CA GLY A 42 -8.555 -3.907 4.804 1.00 0.00 C ATOM 566 C GLY A 42 -9.654 -3.876 3.765 1.00 0.00 C ATOM 567 O GLY A 42 -10.117 -2.799 3.385 1.00 0.00 O ATOM 0 H GLY A 42 -8.417 -1.833 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.846 -4.698 4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.980 -4.148 5.778 1.00 0.00 H new ATOM 571 N ASN A 43 -10.058 -5.046 3.288 1.00 0.00 N ATOM 572 CA ASN A 43 -11.119 -5.143 2.288 1.00 0.00 C ATOM 573 C ASN A 43 -11.720 -6.551 2.217 1.00 0.00 C ATOM 574 O ASN A 43 -11.848 -7.116 1.134 1.00 0.00 O ATOM 575 CB ASN A 43 -10.604 -4.732 0.900 1.00 0.00 C ATOM 576 CG ASN A 43 -9.271 -5.361 0.536 1.00 0.00 C ATOM 577 OD1 ASN A 43 -9.206 -6.491 0.071 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.196 -4.607 0.713 1.00 0.00 N ATOM 0 H ASN A 43 -9.668 -5.943 3.576 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.905 -4.456 2.600 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.344 -5.010 0.150 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.506 -3.647 0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.275 -4.964 0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.289 -3.669 1.104 1.00 0.00 H new ATOM 584 N PRO A 44 -12.149 -7.128 3.357 1.00 0.00 N ATOM 585 CA PRO A 44 -12.724 -8.472 3.384 1.00 0.00 C ATOM 586 C PRO A 44 -14.170 -8.475 2.900 1.00 0.00 C ATOM 587 O PRO A 44 -14.771 -9.531 2.699 1.00 0.00 O ATOM 588 CB PRO A 44 -12.656 -8.879 4.866 1.00 0.00 C ATOM 589 CG PRO A 44 -11.998 -7.740 5.581 1.00 0.00 C ATOM 590 CD PRO A 44 -12.139 -6.537 4.698 1.00 0.00 C ATOM 0 HA PRO A 44 -12.188 -9.156 2.726 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.653 -9.065 5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.085 -9.799 4.991 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.469 -7.567 6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -10.947 -7.958 5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.056 -5.986 4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.312 -5.839 4.828 1.00 0.00 H new ATOM 595 N ASN A 45 -14.720 -7.281 2.726 1.00 0.00 N ATOM 596 CA ASN A 45 -16.096 -7.127 2.270 1.00 0.00 C ATOM 597 C ASN A 45 -16.136 -6.831 0.780 1.00 0.00 C ATOM 598 O ASN A 45 -17.204 -6.631 0.205 1.00 0.00 O ATOM 599 CB ASN A 45 -16.790 -5.997 3.036 1.00 0.00 C ATOM 600 CG ASN A 45 -16.775 -6.213 4.537 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.658 -6.861 5.097 1.00 0.00 O ATOM 602 ND2 ASN A 45 -15.773 -5.655 5.198 1.00 0.00 N ATOM 0 H ASN A 45 -14.232 -6.401 2.894 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.622 -8.063 2.460 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.300 -5.052 2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.822 -5.913 2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.712 -5.754 6.211 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.062 -5.126 4.694 1.00 0.00 H new ATOM 608 N GLY A 46 -14.968 -6.805 0.155 1.00 0.00 N ATOM 609 CA GLY A 46 -14.902 -6.520 -1.261 1.00 0.00 C ATOM 610 C GLY A 46 -14.675 -5.047 -1.536 1.00 0.00 C ATOM 611 O GLY A 46 -14.618 -4.620 -2.690 1.00 0.00 O ATOM 0 H GLY A 46 -14.068 -6.976 0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.096 -7.101 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.829 -6.839 -1.738 1.00 0.00 H new ATOM 615 N PHE A 47 -14.558 -4.261 -0.474 1.00 0.00 N ATOM 616 CA PHE A 47 -14.342 -2.830 -0.610 1.00 0.00 C ATOM 617 C PHE A 47 -13.112 -2.391 0.158 1.00 0.00 C ATOM 618 O PHE A 47 -12.941 -2.731 1.329 1.00 0.00 O ATOM 619 CB PHE A 47 -15.567 -2.058 -0.134 1.00 0.00 C ATOM 620 CG PHE A 47 -16.805 -2.405 -0.904 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.911 -2.077 -2.247 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.857 -3.059 -0.288 1.00 0.00 C ATOM 623 CE1 PHE A 47 -18.049 -2.398 -2.961 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.997 -3.383 -0.996 1.00 0.00 C ATOM 625 CZ PHE A 47 -19.094 -3.052 -2.335 1.00 0.00 C ATOM 0 H PHE A 47 -14.609 -4.591 0.490 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.180 -2.612 -1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.732 -2.263 0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.375 -0.989 -0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -16.097 -1.566 -2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.786 -3.319 0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -18.122 -2.138 -4.007 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.812 -3.894 -0.505 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.985 -3.304 -2.891 1.00 0.00 H new ATOM 634 N LEU A 48 -12.264 -1.627 -0.510 1.00 0.00 N ATOM 635 CA LEU A 48 -11.031 -1.134 0.083 1.00 0.00 C ATOM 636 C LEU A 48 -11.266 0.139 0.877 1.00 0.00 C ATOM 637 O LEU A 48 -12.205 0.889 0.605 1.00 0.00 O ATOM 638 CB LEU A 48 -9.984 -0.873 -1.001 1.00 0.00 C ATOM 639 CG LEU A 48 -9.154 -2.089 -1.419 1.00 0.00 C ATOM 640 CD1 LEU A 48 -10.001 -3.085 -2.178 1.00 0.00 C ATOM 641 CD2 LEU A 48 -7.966 -1.669 -2.260 1.00 0.00 C ATOM 0 H LEU A 48 -12.410 -1.332 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.666 -1.903 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.489 -0.479 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.306 -0.096 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.785 -2.567 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.389 -3.940 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.822 -3.422 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.404 -2.612 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.392 -2.551 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.317 -1.160 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.333 -0.994 -1.684 1.00 0.00 H new ATOM 652 N GLY A 49 -10.407 0.374 1.855 1.00 0.00 N ATOM 653 CA GLY A 49 -10.518 1.558 2.673 1.00 0.00 C ATOM 654 C GLY A 49 -9.629 1.479 3.891 1.00 0.00 C ATOM 655 O GLY A 49 -9.058 0.421 4.183 1.00 0.00 O ATOM 0 H GLY A 49 -9.630 -0.240 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.250 2.435 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.554 1.689 2.986 1.00 0.00 H new ATOM 659 N TRP A 50 -9.511 2.587 4.601 1.00 0.00 N ATOM 660 CA TRP A 50 -8.684 2.642 5.797 1.00 0.00 C ATOM 661 C TRP A 50 -9.553 2.413 7.029 1.00 0.00 C ATOM 662 O TRP A 50 -10.547 3.111 7.231 1.00 0.00 O ATOM 663 CB TRP A 50 -7.969 4.000 5.891 1.00 0.00 C ATOM 664 CG TRP A 50 -6.971 4.246 4.792 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.213 4.798 3.565 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.568 3.959 4.829 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.043 4.865 2.838 1.00 0.00 N ATOM 668 CE2 TRP A 50 -5.025 4.352 3.591 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.720 3.403 5.786 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.674 4.206 3.290 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.381 3.260 5.483 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.870 3.659 4.247 1.00 0.00 C ATOM 0 H TRP A 50 -9.978 3.464 4.371 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.927 1.860 5.744 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.716 4.794 5.873 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.458 4.064 6.852 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.179 5.133 3.216 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.952 5.237 1.893 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.104 3.090 6.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.277 4.514 2.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.715 2.831 6.217 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.817 3.532 4.044 1.00 0.00 H new ATOM 682 N GLY A 51 -9.182 1.435 7.843 1.00 0.00 N ATOM 683 CA GLY A 51 -9.948 1.132 9.039 1.00 0.00 C ATOM 684 C GLY A 51 -9.882 -0.332 9.410 1.00 0.00 C ATOM 685 O GLY A 51 -9.878 -0.691 10.590 1.00 0.00 O ATOM 0 H GLY A 51 -8.363 0.844 7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.573 1.732 9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.988 1.418 8.883 1.00 0.00 H new ATOM 689 N MET A 52 -9.831 -1.174 8.398 1.00 0.00 N ATOM 690 CA MET A 52 -9.779 -2.612 8.593 1.00 0.00 C ATOM 691 C MET A 52 -8.331 -3.091 8.477 1.00 0.00 C ATOM 692 O MET A 52 -7.454 -2.301 8.159 1.00 0.00 O ATOM 693 CB MET A 52 -10.681 -3.279 7.552 1.00 0.00 C ATOM 694 CG MET A 52 -10.898 -4.769 7.764 1.00 0.00 C ATOM 695 SD MET A 52 -11.546 -5.156 9.401 1.00 0.00 S ATOM 696 CE MET A 52 -11.682 -6.940 9.298 1.00 0.00 C ATOM 0 H MET A 52 -9.824 -0.884 7.420 1.00 0.00 H new ATOM 0 HA MET A 52 -10.138 -2.881 9.586 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.650 -2.780 7.557 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.248 -3.125 6.564 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.589 -5.142 7.008 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.953 -5.293 7.619 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.614 -7.368 10.298 1.00 0.00 H new ATOM 0 HE2 MET A 52 -12.641 -7.207 8.853 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.874 -7.331 8.680 1.00 0.00 H new ATOM 704 N GLN A 53 -8.075 -4.364 8.743 1.00 0.00 N ATOM 705 CA GLN A 53 -6.720 -4.891 8.661 1.00 0.00 C ATOM 706 C GLN A 53 -6.675 -6.147 7.802 1.00 0.00 C ATOM 707 O GLN A 53 -7.716 -6.697 7.438 1.00 0.00 O ATOM 708 CB GLN A 53 -6.177 -5.195 10.062 1.00 0.00 C ATOM 709 CG GLN A 53 -7.004 -6.207 10.836 1.00 0.00 C ATOM 710 CD GLN A 53 -6.418 -6.512 12.201 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.599 -7.419 12.349 1.00 0.00 O ATOM 712 NE2 GLN A 53 -6.833 -5.757 13.206 1.00 0.00 N ATOM 0 H GLN A 53 -8.782 -5.047 9.016 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.092 -4.132 8.195 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.156 -5.567 9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.130 -4.267 10.632 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.018 -5.827 10.956 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.076 -7.130 10.260 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.513 -5.015 13.040 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.472 -5.917 14.147 1.00 0.00 H new ATOM 719 N ASN A 54 -5.457 -6.574 7.477 1.00 0.00 N ATOM 720 CA ASN A 54 -5.223 -7.775 6.677 1.00 0.00 C ATOM 721 C ASN A 54 -5.833 -7.675 5.286 1.00 0.00 C ATOM 722 O ASN A 54 -6.524 -8.590 4.833 1.00 0.00 O ATOM 723 CB ASN A 54 -5.762 -9.018 7.389 1.00 0.00 C ATOM 724 CG ASN A 54 -4.666 -9.801 8.079 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.039 -10.671 7.469 1.00 0.00 O ATOM 726 ND2 ASN A 54 -4.426 -9.503 9.347 1.00 0.00 N ATOM 0 H ASN A 54 -4.602 -6.096 7.761 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.143 -7.864 6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.510 -8.719 8.123 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.265 -9.660 6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.698 -10.001 9.859 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.970 -8.776 9.812 1.00 0.00 H new ATOM 732 N PHE A 55 -5.566 -6.574 4.598 1.00 0.00 N ATOM 733 CA PHE A 55 -6.089 -6.394 3.251 1.00 0.00 C ATOM 734 C PHE A 55 -5.394 -7.347 2.288 1.00 0.00 C ATOM 735 O PHE A 55 -5.959 -7.734 1.272 1.00 0.00 O ATOM 736 CB PHE A 55 -5.922 -4.946 2.780 1.00 0.00 C ATOM 737 CG PHE A 55 -4.534 -4.567 2.340 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.537 -4.314 3.265 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.238 -4.442 0.992 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.270 -3.946 2.856 1.00 0.00 C ATOM 741 CE2 PHE A 55 -2.977 -4.072 0.577 1.00 0.00 C ATOM 742 CZ PHE A 55 -1.991 -3.823 1.511 1.00 0.00 C ATOM 0 H PHE A 55 -4.998 -5.801 4.944 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.155 -6.620 3.268 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.608 -4.770 1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.222 -4.281 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.752 -4.405 4.319 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.005 -4.637 0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.499 -3.755 3.588 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.760 -3.977 -0.477 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.002 -3.532 1.189 1.00 0.00 H new ATOM 751 N SER A 56 -4.177 -7.739 2.639 1.00 0.00 N ATOM 752 CA SER A 56 -3.384 -8.643 1.823 1.00 0.00 C ATOM 753 C SER A 56 -4.082 -9.992 1.652 1.00 0.00 C ATOM 754 O SER A 56 -4.164 -10.530 0.550 1.00 0.00 O ATOM 755 CB SER A 56 -2.016 -8.823 2.474 1.00 0.00 C ATOM 756 OG SER A 56 -2.157 -9.066 3.867 1.00 0.00 O ATOM 0 H SER A 56 -3.714 -7.439 3.497 1.00 0.00 H new ATOM 0 HA SER A 56 -3.264 -8.213 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.490 -9.654 2.005 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.410 -7.931 2.314 1.00 0.00 H new ATOM 0 HG SER A 56 -1.271 -9.181 4.270 1.00 0.00 H new ATOM 761 N HIS A 57 -4.610 -10.524 2.748 1.00 0.00 N ATOM 762 CA HIS A 57 -5.308 -11.804 2.712 1.00 0.00 C ATOM 763 C HIS A 57 -6.730 -11.629 2.197 1.00 0.00 C ATOM 764 O HIS A 57 -7.411 -12.602 1.872 1.00 0.00 O ATOM 765 CB HIS A 57 -5.336 -12.448 4.100 1.00 0.00 C ATOM 766 CG HIS A 57 -4.021 -13.022 4.529 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.328 -12.565 5.625 1.00 0.00 N ATOM 768 CD2 HIS A 57 -3.278 -14.026 4.008 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.216 -13.263 5.762 1.00 0.00 C ATOM 770 NE2 HIS A 57 -2.162 -14.159 4.795 1.00 0.00 N ATOM 0 H HIS A 57 -4.569 -10.091 3.670 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.765 -12.460 2.032 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.651 -11.702 4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.086 -13.239 4.108 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.626 -11.805 6.237 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.519 -14.614 3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.475 -13.124 6.535 1.00 0.00 H new ATOM 778 N SER A 58 -7.166 -10.383 2.100 1.00 0.00 N ATOM 779 CA SER A 58 -8.513 -10.083 1.651 1.00 0.00 C ATOM 780 C SER A 58 -8.543 -9.636 0.192 1.00 0.00 C ATOM 781 O SER A 58 -9.601 -9.328 -0.335 1.00 0.00 O ATOM 782 CB SER A 58 -9.125 -8.999 2.539 1.00 0.00 C ATOM 783 OG SER A 58 -9.071 -9.370 3.908 1.00 0.00 O ATOM 0 H SER A 58 -6.604 -9.563 2.327 1.00 0.00 H new ATOM 0 HA SER A 58 -9.099 -10.999 1.727 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.591 -8.060 2.392 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.161 -8.826 2.246 1.00 0.00 H new ATOM 0 HG SER A 58 -8.199 -9.121 4.280 1.00 0.00 H new ATOM 788 N SER A 59 -7.397 -9.623 -0.474 1.00 0.00 N ATOM 789 CA SER A 59 -7.355 -9.199 -1.868 1.00 0.00 C ATOM 790 C SER A 59 -6.329 -9.998 -2.662 1.00 0.00 C ATOM 791 O SER A 59 -5.439 -10.628 -2.093 1.00 0.00 O ATOM 792 CB SER A 59 -7.062 -7.698 -1.970 1.00 0.00 C ATOM 793 OG SER A 59 -5.856 -7.355 -1.313 1.00 0.00 O ATOM 0 H SER A 59 -6.497 -9.896 -0.080 1.00 0.00 H new ATOM 0 HA SER A 59 -8.337 -9.392 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.000 -7.410 -3.019 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.887 -7.135 -1.533 1.00 0.00 H new ATOM 0 HG SER A 59 -5.976 -7.439 -0.344 1.00 0.00 H new ATOM 798 N GLU A 60 -6.479 -9.981 -3.978 1.00 0.00 N ATOM 799 CA GLU A 60 -5.584 -10.701 -4.870 1.00 0.00 C ATOM 800 C GLU A 60 -4.842 -9.741 -5.788 1.00 0.00 C ATOM 801 O GLU A 60 -5.350 -8.666 -6.101 1.00 0.00 O ATOM 802 CB GLU A 60 -6.379 -11.696 -5.715 1.00 0.00 C ATOM 803 CG GLU A 60 -7.148 -12.714 -4.896 1.00 0.00 C ATOM 804 CD GLU A 60 -6.245 -13.569 -4.036 1.00 0.00 C ATOM 805 OE1 GLU A 60 -5.395 -14.292 -4.599 1.00 0.00 O ATOM 806 OE2 GLU A 60 -6.389 -13.533 -2.796 1.00 0.00 O ATOM 0 H GLU A 60 -7.221 -9.470 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.856 -11.235 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.079 -11.147 -6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.695 -12.221 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.866 -12.196 -4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.721 -13.356 -5.565 1.00 0.00 H new ATOM 811 N ASP A 61 -3.648 -10.152 -6.212 1.00 0.00 N ATOM 812 CA ASP A 61 -2.799 -9.357 -7.114 1.00 0.00 C ATOM 813 C ASP A 61 -2.633 -7.927 -6.619 1.00 0.00 C ATOM 814 O ASP A 61 -3.235 -6.994 -7.150 1.00 0.00 O ATOM 815 CB ASP A 61 -3.359 -9.355 -8.540 1.00 0.00 C ATOM 816 CG ASP A 61 -3.233 -10.702 -9.212 1.00 0.00 C ATOM 817 OD1 ASP A 61 -2.097 -11.095 -9.559 1.00 0.00 O ATOM 818 OD2 ASP A 61 -4.268 -11.379 -9.396 1.00 0.00 O ATOM 0 H ASP A 61 -3.237 -11.046 -5.943 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.817 -9.829 -7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.409 -9.062 -8.514 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.833 -8.606 -9.132 1.00 0.00 H new ATOM 822 N ILE A 62 -1.798 -7.765 -5.611 1.00 0.00 N ATOM 823 CA ILE A 62 -1.550 -6.458 -5.024 1.00 0.00 C ATOM 824 C ILE A 62 -0.348 -5.774 -5.673 1.00 0.00 C ATOM 825 O ILE A 62 0.777 -6.272 -5.603 1.00 0.00 O ATOM 826 CB ILE A 62 -1.322 -6.586 -3.504 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.577 -7.161 -2.839 1.00 0.00 C ATOM 828 CG2 ILE A 62 -0.955 -5.238 -2.902 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.420 -7.427 -1.359 1.00 0.00 C ATOM 0 H ILE A 62 -1.276 -8.526 -5.178 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.431 -5.842 -5.205 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.490 -7.267 -3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.405 -6.468 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.847 -8.091 -3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.798 -5.349 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.040 -4.869 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.763 -4.528 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.350 -7.833 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.615 -8.145 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.181 -6.496 -0.845 1.00 0.00 H new ATOM 840 N LYS A 63 -0.598 -4.638 -6.315 1.00 0.00 N ATOM 841 CA LYS A 63 0.454 -3.876 -6.975 1.00 0.00 C ATOM 842 C LYS A 63 0.117 -2.385 -6.937 1.00 0.00 C ATOM 843 O LYS A 63 -1.044 -2.011 -6.824 1.00 0.00 O ATOM 844 CB LYS A 63 0.636 -4.366 -8.417 1.00 0.00 C ATOM 845 CG LYS A 63 1.723 -3.629 -9.186 1.00 0.00 C ATOM 846 CD LYS A 63 2.179 -4.412 -10.406 1.00 0.00 C ATOM 847 CE LYS A 63 2.932 -5.670 -10.003 1.00 0.00 C ATOM 848 NZ LYS A 63 3.477 -6.396 -11.180 1.00 0.00 N ATOM 0 H LYS A 63 -1.527 -4.223 -6.392 1.00 0.00 H new ATOM 0 HA LYS A 63 1.395 -4.028 -6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.873 -5.430 -8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.309 -4.258 -8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.350 -2.654 -9.498 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.575 -3.449 -8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.314 -4.681 -11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.820 -3.784 -11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.748 -5.404 -9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.265 -6.329 -9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.982 -7.247 -10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.696 -6.673 -11.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.134 -5.777 -11.696 1.00 0.00 H new ATOM 858 N LEU A 64 1.139 -1.544 -7.011 1.00 0.00 N ATOM 859 CA LEU A 64 0.954 -0.098 -6.977 1.00 0.00 C ATOM 860 C LEU A 64 0.614 0.447 -8.358 1.00 0.00 C ATOM 861 O LEU A 64 1.228 0.077 -9.358 1.00 0.00 O ATOM 862 CB LEU A 64 2.216 0.565 -6.432 1.00 0.00 C ATOM 863 CG LEU A 64 2.473 0.295 -4.949 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.902 0.644 -4.573 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.496 1.078 -4.093 1.00 0.00 C ATOM 0 H LEU A 64 2.111 -1.840 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 64 0.115 0.131 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.074 0.217 -7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.144 1.641 -6.587 1.00 0.00 H new ATOM 0 HG LEU A 64 2.324 -0.769 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.059 0.443 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.591 0.040 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.083 1.700 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.691 0.875 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.616 2.144 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.477 0.778 -4.337 1.00 0.00 H new ATOM 876 N GLU A 65 -0.368 1.341 -8.392 1.00 0.00 N ATOM 877 CA GLU A 65 -0.830 1.938 -9.634 1.00 0.00 C ATOM 878 C GLU A 65 -0.100 3.246 -9.942 1.00 0.00 C ATOM 879 O GLU A 65 0.660 3.322 -10.902 1.00 0.00 O ATOM 880 CB GLU A 65 -2.341 2.177 -9.556 1.00 0.00 C ATOM 881 CG GLU A 65 -2.936 2.797 -10.811 1.00 0.00 C ATOM 882 CD GLU A 65 -2.644 1.983 -12.054 1.00 0.00 C ATOM 883 OE1 GLU A 65 -3.259 0.913 -12.226 1.00 0.00 O ATOM 884 OE2 GLU A 65 -1.795 2.414 -12.863 1.00 0.00 O ATOM 0 H GLU A 65 -0.862 1.669 -7.562 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.609 1.245 -10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.839 1.227 -9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.552 2.827 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.015 2.893 -10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.539 3.804 -10.938 1.00 0.00 H new ATOM 889 N GLU A 66 -0.315 4.267 -9.115 1.00 0.00 N ATOM 890 CA GLU A 66 0.308 5.575 -9.329 1.00 0.00 C ATOM 891 C GLU A 66 1.760 5.587 -8.874 1.00 0.00 C ATOM 892 O GLU A 66 2.221 6.545 -8.251 1.00 0.00 O ATOM 893 CB GLU A 66 -0.458 6.659 -8.583 1.00 0.00 C ATOM 894 CG GLU A 66 -1.945 6.621 -8.833 1.00 0.00 C ATOM 895 CD GLU A 66 -2.668 7.800 -8.216 1.00 0.00 C ATOM 896 OE1 GLU A 66 -2.442 8.942 -8.664 1.00 0.00 O ATOM 897 OE2 GLU A 66 -3.450 7.598 -7.270 1.00 0.00 O ATOM 0 H GLU A 66 -0.915 4.216 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 66 0.279 5.774 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.274 6.553 -7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.072 7.635 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.129 6.608 -9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.355 5.696 -8.428 1.00 0.00 H new ATOM 902 N GLY A 67 2.460 4.507 -9.168 1.00 0.00 N ATOM 903 CA GLY A 67 3.860 4.384 -8.804 1.00 0.00 C ATOM 904 C GLY A 67 4.094 4.452 -7.308 1.00 0.00 C ATOM 905 O GLY A 67 5.212 4.703 -6.862 1.00 0.00 O ATOM 0 H GLY A 67 2.080 3.699 -9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.246 3.438 -9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.427 5.178 -9.291 1.00 0.00 H new ATOM 909 N GLY A 68 3.038 4.244 -6.527 1.00 0.00 N ATOM 910 CA GLY A 68 3.177 4.286 -5.090 1.00 0.00 C ATOM 911 C GLY A 68 2.151 5.181 -4.431 1.00 0.00 C ATOM 912 O GLY A 68 1.934 5.090 -3.227 1.00 0.00 O ATOM 0 H GLY A 68 2.096 4.049 -6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.083 3.276 -4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.177 4.638 -4.836 1.00 0.00 H new ATOM 916 N ARG A 69 1.506 6.038 -5.219 1.00 0.00 N ATOM 917 CA ARG A 69 0.500 6.949 -4.683 1.00 0.00 C ATOM 918 C ARG A 69 -0.802 6.195 -4.441 1.00 0.00 C ATOM 919 O ARG A 69 -1.657 6.633 -3.674 1.00 0.00 O ATOM 920 CB ARG A 69 0.242 8.097 -5.668 1.00 0.00 C ATOM 921 CG ARG A 69 0.399 9.493 -5.086 1.00 0.00 C ATOM 922 CD ARG A 69 1.861 9.865 -4.916 1.00 0.00 C ATOM 923 NE ARG A 69 2.040 11.291 -4.647 1.00 0.00 N ATOM 924 CZ ARG A 69 2.965 12.048 -5.239 1.00 0.00 C ATOM 925 NH1 ARG A 69 3.755 11.533 -6.175 1.00 0.00 N ATOM 926 NH2 ARG A 69 3.096 13.325 -4.902 1.00 0.00 N ATOM 0 H ARG A 69 1.661 6.120 -6.224 1.00 0.00 H new ATOM 0 HA ARG A 69 0.868 7.359 -3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.925 7.993 -6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.769 7.996 -6.063 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.088 10.217 -5.739 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.105 9.545 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.289 9.286 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.410 9.595 -5.818 1.00 0.00 H new ATOM 0 HE ARG A 69 1.421 11.733 -3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.656 10.554 -6.444 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.461 12.117 -6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.489 13.729 -4.189 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.804 13.902 -5.356 1.00 0.00 H new ATOM 937 N LYS A 70 -0.935 5.046 -5.088 1.00 0.00 N ATOM 938 CA LYS A 70 -2.140 4.248 -4.972 1.00 0.00 C ATOM 939 C LYS A 70 -1.832 2.772 -5.147 1.00 0.00 C ATOM 940 O LYS A 70 -0.966 2.402 -5.943 1.00 0.00 O ATOM 941 CB LYS A 70 -3.138 4.702 -6.031 1.00 0.00 C ATOM 942 CG LYS A 70 -4.567 4.245 -5.784 1.00 0.00 C ATOM 943 CD LYS A 70 -5.554 5.068 -6.590 1.00 0.00 C ATOM 944 CE LYS A 70 -6.992 4.735 -6.232 1.00 0.00 C ATOM 945 NZ LYS A 70 -7.943 5.756 -6.751 1.00 0.00 N ATOM 0 H LYS A 70 -0.221 4.648 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.564 4.387 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.122 5.791 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.813 4.330 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.666 3.192 -6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.800 4.330 -4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.372 6.128 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.393 4.889 -7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.251 3.758 -6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.090 4.665 -5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.914 5.493 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.712 6.684 -6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.868 5.805 -7.787 1.00 0.00 H new ATOM 955 N LEU A 71 -2.544 1.942 -4.406 1.00 0.00 N ATOM 956 CA LEU A 71 -2.372 0.496 -4.462 1.00 0.00 C ATOM 957 C LEU A 71 -3.619 -0.144 -5.067 1.00 0.00 C ATOM 958 O LEU A 71 -4.733 0.107 -4.610 1.00 0.00 O ATOM 959 CB LEU A 71 -2.098 -0.044 -3.046 1.00 0.00 C ATOM 960 CG LEU A 71 -1.880 -1.556 -2.917 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.007 -1.850 -1.707 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.209 -2.289 -2.778 1.00 0.00 C ATOM 0 H LEU A 71 -3.259 2.249 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.520 0.246 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.216 0.462 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.936 0.235 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.384 -1.908 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.856 -2.926 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.043 -1.356 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.496 -1.479 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.026 -3.360 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.729 -1.934 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.823 -2.098 -3.658 1.00 0.00 H new ATOM 973 N THR A 72 -3.435 -0.951 -6.095 1.00 0.00 N ATOM 974 CA THR A 72 -4.547 -1.615 -6.749 1.00 0.00 C ATOM 975 C THR A 72 -4.482 -3.127 -6.557 1.00 0.00 C ATOM 976 O THR A 72 -3.413 -3.736 -6.651 1.00 0.00 O ATOM 977 CB THR A 72 -4.586 -1.280 -8.252 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.257 -1.277 -8.792 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.238 0.072 -8.491 1.00 0.00 C ATOM 0 H THR A 72 -2.522 -1.163 -6.497 1.00 0.00 H new ATOM 0 HA THR A 72 -5.461 -1.246 -6.283 1.00 0.00 H new ATOM 0 HB THR A 72 -5.179 -2.045 -8.753 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.706 -1.928 -8.309 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.253 0.285 -9.560 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.259 0.056 -8.110 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.670 0.846 -7.975 1.00 0.00 H new ATOM 987 N CYS A 73 -5.635 -3.724 -6.283 1.00 0.00 N ATOM 988 CA CYS A 73 -5.735 -5.160 -6.072 1.00 0.00 C ATOM 989 C CYS A 73 -7.185 -5.600 -6.229 1.00 0.00 C ATOM 990 O CYS A 73 -8.070 -4.775 -6.445 1.00 0.00 O ATOM 991 CB CYS A 73 -5.215 -5.526 -4.679 1.00 0.00 C ATOM 992 SG CYS A 73 -6.061 -4.679 -3.324 1.00 0.00 S ATOM 0 H CYS A 73 -6.523 -3.228 -6.201 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.125 -5.675 -6.814 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.314 -6.602 -4.538 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.151 -5.295 -4.629 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.687 -5.193 -2.190 1.00 0.00 H new ATOM 997 N ARG A 74 -7.427 -6.892 -6.150 1.00 0.00 N ATOM 998 CA ARG A 74 -8.776 -7.410 -6.273 1.00 0.00 C ATOM 999 C ARG A 74 -9.278 -7.893 -4.919 1.00 0.00 C ATOM 1000 O ARG A 74 -8.945 -8.994 -4.481 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.823 -8.535 -7.305 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.173 -9.224 -7.388 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.142 -10.426 -8.314 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.419 -11.133 -8.317 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.536 -12.459 -8.390 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -10.458 -13.225 -8.504 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -12.734 -13.024 -8.358 1.00 0.00 N ATOM 0 H ARG A 74 -6.710 -7.602 -6.002 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.431 -6.609 -6.616 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.570 -8.130 -8.285 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.061 -9.275 -7.060 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.480 -9.542 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.921 -8.514 -7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.903 -10.100 -9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.349 -11.106 -8.002 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.274 -10.579 -8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.531 -12.800 -8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.556 -14.239 -8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.569 -12.444 -8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.821 -14.039 -8.414 1.00 0.00 H new ATOM 1018 N PRO A 75 -10.081 -7.066 -4.241 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.635 -7.389 -2.926 1.00 0.00 C ATOM 1020 C PRO A 75 -11.620 -8.534 -3.010 1.00 0.00 C ATOM 1021 O PRO A 75 -12.593 -8.463 -3.755 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.364 -6.111 -2.522 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.706 -5.462 -3.815 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.548 -5.756 -4.721 1.00 0.00 C ATOM 0 HA PRO A 75 -9.865 -7.698 -2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.258 -6.330 -1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.732 -5.469 -1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.635 -5.861 -4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.847 -4.388 -3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.853 -5.794 -5.767 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.770 -4.996 -4.643 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.369 -9.586 -2.262 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.245 -10.732 -2.272 1.00 0.00 C ATOM 1031 C LYS A 76 -12.814 -11.000 -0.890 1.00 0.00 C ATOM 1032 O LYS A 76 -12.162 -10.747 0.123 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.519 -11.966 -2.823 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.194 -12.302 -2.134 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.394 -13.038 -0.816 1.00 0.00 C ATOM 1036 CE LYS A 76 -9.376 -14.152 -0.632 1.00 0.00 C ATOM 1037 NZ LYS A 76 -7.973 -13.657 -0.625 1.00 0.00 N ATOM 0 H LYS A 76 -10.565 -9.670 -1.640 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.082 -10.511 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.183 -12.826 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.329 -11.812 -3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.587 -12.915 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.639 -11.382 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.314 -12.332 0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.400 -13.456 -0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.578 -14.671 0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.495 -14.882 -1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.338 -14.419 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.707 -13.355 -1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.893 -12.851 0.027 1.00 0.00 H new ATOM 1047 N THR A 77 -14.039 -11.499 -0.847 1.00 0.00 N ATOM 1048 CA THR A 77 -14.660 -11.819 0.418 1.00 0.00 C ATOM 1049 C THR A 77 -14.024 -13.085 0.954 1.00 0.00 C ATOM 1050 O THR A 77 -13.892 -14.074 0.222 1.00 0.00 O ATOM 1051 CB THR A 77 -16.191 -12.010 0.304 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.755 -12.228 1.600 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.551 -13.181 -0.599 1.00 0.00 C ATOM 0 H THR A 77 -14.614 -11.688 -1.668 1.00 0.00 H new ATOM 0 HA THR A 77 -14.501 -10.980 1.095 1.00 0.00 H new ATOM 0 HB THR A 77 -16.600 -11.100 -0.136 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.724 -12.346 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.635 -13.280 -0.652 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.154 -13.005 -1.599 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.122 -14.098 -0.194 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.608 -13.042 2.213 1.00 0.00 N ATOM 1062 CA VAL A 78 -12.968 -14.180 2.858 1.00 0.00 C ATOM 1063 C VAL A 78 -13.974 -15.285 3.150 1.00 0.00 C ATOM 1064 O VAL A 78 -13.614 -16.354 3.644 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.264 -13.764 4.163 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.134 -12.795 3.861 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -13.253 -13.150 5.143 1.00 0.00 C ATOM 0 H VAL A 78 -13.704 -12.222 2.812 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.219 -14.560 2.163 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.844 -14.656 4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.643 -12.507 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.410 -13.274 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.537 -11.907 3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.731 -12.865 6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.709 -12.267 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.029 -13.878 5.381 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.236 -15.011 2.846 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.301 -15.977 3.049 1.00 0.00 C ATOM 1079 C ASP A 79 -16.165 -17.115 2.042 1.00 0.00 C ATOM 1080 O ASP A 79 -16.452 -18.274 2.350 1.00 0.00 O ATOM 1081 CB ASP A 79 -17.664 -15.302 2.902 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.816 -16.239 3.200 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.229 -16.323 4.375 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -19.327 -16.883 2.262 1.00 0.00 O ATOM 0 H ASP A 79 -15.546 -14.121 2.456 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.223 -16.383 4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.715 -14.445 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.767 -14.918 1.887 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.705 -16.773 0.842 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.531 -17.772 -0.199 1.00 0.00 C ATOM 1090 C GLY A 80 -14.323 -17.512 -1.086 1.00 0.00 C ATOM 1091 O GLY A 80 -13.775 -18.439 -1.681 1.00 0.00 O ATOM 0 H GLY A 80 -15.450 -15.823 0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.429 -18.754 0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.428 -17.802 -0.818 1.00 0.00 H new ATOM 1095 N GLY A 81 -13.904 -16.256 -1.170 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.761 -15.902 -1.992 1.00 0.00 C ATOM 1097 C GLY A 81 -13.172 -15.262 -3.302 1.00 0.00 C ATOM 1098 O GLY A 81 -12.370 -15.143 -4.227 1.00 0.00 O ATOM 0 H GLY A 81 -14.337 -15.472 -0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.118 -15.216 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.172 -16.796 -2.196 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.426 -14.847 -3.377 1.00 0.00 N ATOM 1103 CA PHE A 82 -14.966 -14.225 -4.589 1.00 0.00 C ATOM 1104 C PHE A 82 -15.285 -12.764 -4.328 1.00 0.00 C ATOM 1105 O PHE A 82 -15.461 -12.404 -3.169 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.228 -14.971 -5.048 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.243 -15.171 -3.956 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -17.178 -16.286 -3.137 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.253 -14.246 -3.741 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -18.095 -16.472 -2.124 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.176 -14.430 -2.729 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.096 -15.546 -1.919 1.00 0.00 C ATOM 0 H PHE A 82 -15.097 -14.927 -2.613 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.218 -14.284 -5.379 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.690 -14.416 -5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.940 -15.944 -5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.400 -17.018 -3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.319 -13.372 -4.372 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.029 -17.344 -1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -19.959 -13.702 -2.572 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.816 -15.693 -1.127 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.350 -11.938 -5.390 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.683 -10.508 -5.260 1.00 0.00 C ATOM 1123 C ARG A 83 -15.306 -9.706 -6.508 1.00 0.00 C ATOM 1124 O ARG A 83 -15.218 -10.248 -7.609 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.992 -9.898 -4.052 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.901 -9.090 -3.137 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.949 -9.969 -2.472 1.00 0.00 C ATOM 1128 NE ARG A 83 -18.025 -10.319 -3.395 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.251 -10.689 -3.030 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.584 -10.766 -1.750 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.147 -10.978 -3.962 1.00 0.00 N ATOM 0 H ARG A 83 -15.176 -12.238 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.764 -10.456 -5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.533 -10.698 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.185 -9.254 -4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.302 -8.595 -2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.394 -8.307 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.478 -10.879 -2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.365 -9.450 -1.609 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.822 -10.277 -4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.898 -10.540 -1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -20.527 -11.051 -1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -19.895 -10.916 -4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.089 -11.262 -3.693 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.062 -8.411 -6.303 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.727 -7.479 -7.376 1.00 0.00 C ATOM 1144 C GLU A 84 -13.264 -7.049 -7.306 1.00 0.00 C ATOM 1145 O GLU A 84 -12.493 -7.553 -6.497 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.597 -6.226 -7.241 1.00 0.00 C ATOM 1147 CG GLU A 84 -17.085 -6.472 -7.405 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.444 -6.899 -8.810 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.340 -6.065 -9.735 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -17.829 -8.071 -9.004 1.00 0.00 O ATOM 0 H GLU A 84 -15.092 -7.978 -5.380 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.903 -7.984 -8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.421 -5.781 -6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.278 -5.496 -7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.404 -7.241 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.631 -5.563 -7.153 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.904 -6.106 -8.168 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.560 -5.549 -8.209 1.00 0.00 C ATOM 1157 C ARG A 85 -11.658 -4.088 -7.790 1.00 0.00 C ATOM 1158 O ARG A 85 -12.728 -3.490 -7.922 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.969 -5.671 -9.616 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.513 -5.250 -9.729 1.00 0.00 C ATOM 1161 CD ARG A 85 -9.014 -5.388 -11.156 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.638 -4.922 -11.306 1.00 0.00 N ATOM 1163 CZ ARG A 85 -7.133 -4.447 -12.444 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -7.895 -4.367 -13.531 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.867 -4.050 -12.487 1.00 0.00 N ATOM 0 H ARG A 85 -13.538 -5.706 -8.859 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.900 -6.094 -7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.061 -6.706 -9.946 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.563 -5.064 -10.299 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.403 -4.217 -9.400 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.902 -5.862 -9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.078 -6.432 -11.462 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.663 -4.820 -11.823 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.027 -4.963 -10.490 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.868 -4.670 -13.495 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.506 -4.003 -14.401 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.285 -4.109 -11.651 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.476 -3.686 -13.356 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.572 -3.510 -7.288 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.613 -2.118 -6.832 1.00 0.00 C ATOM 1178 C GLN A 86 -9.203 -1.578 -6.547 1.00 0.00 C ATOM 1179 O GLN A 86 -8.203 -2.163 -6.967 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.490 -2.046 -5.573 1.00 0.00 C ATOM 1181 CG GLN A 86 -12.057 -0.669 -5.263 1.00 0.00 C ATOM 1182 CD GLN A 86 -13.003 -0.678 -4.073 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.724 -1.775 -3.885 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -13.091 0.297 -3.332 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.667 -3.970 -7.186 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.037 -1.493 -7.618 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.318 -2.747 -5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.902 -2.381 -4.719 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.237 0.021 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.585 -0.293 -6.139 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.520 1.124 -3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.735 0.280 -2.541 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.135 -0.444 -5.859 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.864 0.162 -5.515 1.00 0.00 C ATOM 1193 C GLY A 87 -8.022 1.168 -4.394 1.00 0.00 C ATOM 1194 O GLY A 87 -9.104 1.724 -4.212 1.00 0.00 O ATOM 0 H GLY A 87 -9.951 0.072 -5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.158 -0.613 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.444 0.654 -6.392 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.958 1.401 -3.643 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.996 2.342 -2.530 1.00 0.00 C ATOM 1200 C ILE A 88 -5.816 3.305 -2.610 1.00 0.00 C ATOM 1201 O ILE A 88 -4.692 2.904 -2.930 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.984 1.613 -1.161 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -7.031 2.625 -0.012 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.760 0.715 -1.033 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.100 1.984 1.355 1.00 0.00 C ATOM 0 H ILE A 88 -6.053 0.951 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.929 2.901 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.873 0.984 -1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.147 3.261 -0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.897 3.273 -0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.775 0.215 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.772 -0.032 -1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.856 1.318 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.131 2.760 2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.998 1.371 1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.221 1.358 1.508 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.077 4.576 -2.352 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.035 5.587 -2.392 1.00 0.00 C ATOM 1218 C ASP A 89 -4.176 5.497 -1.137 1.00 0.00 C ATOM 1219 O ASP A 89 -4.682 5.257 -0.037 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.637 6.986 -2.527 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.194 7.522 -1.224 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.372 7.240 -0.910 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -5.456 8.234 -0.508 1.00 0.00 O ATOM 0 H ASP A 89 -7.002 4.932 -2.113 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.409 5.404 -3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.873 7.670 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.432 6.963 -3.273 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.876 5.675 -1.306 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.949 5.602 -0.187 1.00 0.00 C ATOM 1229 C LEU A 90 -1.398 6.974 0.147 1.00 0.00 C ATOM 1230 O LEU A 90 -0.222 7.129 0.477 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.804 4.667 -0.514 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.216 3.288 -1.003 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.021 2.493 -1.332 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.067 2.572 0.035 1.00 0.00 C ATOM 0 H LEU A 90 -2.438 5.871 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.494 5.221 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.180 5.134 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.186 4.550 0.376 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.825 3.392 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.266 1.502 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.586 3.005 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.639 2.396 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.348 1.588 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.497 2.459 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.966 3.155 0.233 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.264 7.963 0.086 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.875 9.340 0.376 1.00 0.00 C ATOM 1247 C ASN A 91 -1.708 9.551 1.877 1.00 0.00 C ATOM 1248 O ASN A 91 -1.415 10.656 2.334 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.897 10.331 -0.191 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.883 10.376 -1.710 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.763 9.613 -2.335 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -2.095 11.107 -2.314 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.246 7.846 -0.162 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.916 9.524 -0.108 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.894 10.056 0.152 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.689 11.327 0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.431 11.681 -1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.107 11.138 -3.333 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.889 8.473 2.631 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.759 8.504 4.081 1.00 0.00 C ATOM 1260 C ARG A 92 -0.367 8.064 4.514 1.00 0.00 C ATOM 1261 O ARG A 92 0.006 8.199 5.677 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.794 7.583 4.723 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.218 8.086 4.632 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.088 7.405 5.669 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.776 7.855 7.023 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.651 7.855 8.026 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.903 7.460 7.818 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.276 8.263 9.231 1.00 0.00 N ATOM 0 H ARG A 92 -2.129 7.556 2.255 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.924 9.531 4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.736 6.604 4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.537 7.443 5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.239 9.165 4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.614 7.896 3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.137 7.607 5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.952 6.325 5.605 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.831 8.189 7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.194 7.156 6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.572 7.461 8.588 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.318 8.576 9.388 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.946 8.264 10.001 1.00 0.00 H new ATOM 1279 N ILE A 93 0.394 7.520 3.581 1.00 0.00 N ATOM 1280 CA ILE A 93 1.737 7.056 3.885 1.00 0.00 C ATOM 1281 C ILE A 93 2.743 8.121 3.469 1.00 0.00 C ATOM 1282 O ILE A 93 3.072 8.263 2.292 1.00 0.00 O ATOM 1283 CB ILE A 93 2.032 5.704 3.189 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.860 4.743 3.399 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.311 5.073 3.729 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.529 4.499 4.860 1.00 0.00 C ATOM 0 H ILE A 93 0.107 7.389 2.611 1.00 0.00 H new ATOM 0 HA ILE A 93 1.821 6.888 4.959 1.00 0.00 H new ATOM 0 HB ILE A 93 2.165 5.895 2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.021 5.143 2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.093 3.790 2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.492 4.125 3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.151 5.745 3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.206 4.897 4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.311 3.808 4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.396 4.070 5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.265 5.443 5.336 1.00 0.00 H new ATOM 1297 N GLN A 94 3.200 8.884 4.448 1.00 0.00 N ATOM 1298 CA GLN A 94 4.136 9.975 4.216 1.00 0.00 C ATOM 1299 C GLN A 94 5.530 9.615 4.722 1.00 0.00 C ATOM 1300 O GLN A 94 5.683 8.900 5.711 1.00 0.00 O ATOM 1301 CB GLN A 94 3.630 11.234 4.936 1.00 0.00 C ATOM 1302 CG GLN A 94 4.497 12.479 4.768 1.00 0.00 C ATOM 1303 CD GLN A 94 4.349 13.136 3.407 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.446 13.945 3.199 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.257 12.839 2.488 1.00 0.00 N ATOM 0 H GLN A 94 2.934 8.766 5.426 1.00 0.00 H new ATOM 0 HA GLN A 94 4.202 10.160 3.144 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.627 11.460 4.575 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.544 11.013 6.000 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.237 13.201 5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.542 12.209 4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.992 12.163 2.697 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.221 13.287 1.572 1.00 0.00 H new ATOM 1312 N ASN A 95 6.542 10.096 4.021 1.00 0.00 N ATOM 1313 CA ASN A 95 7.921 9.866 4.410 1.00 0.00 C ATOM 1314 C ASN A 95 8.421 11.046 5.241 1.00 0.00 C ATOM 1315 O ASN A 95 8.432 12.184 4.784 1.00 0.00 O ATOM 1316 CB ASN A 95 8.823 9.662 3.178 1.00 0.00 C ATOM 1317 CG ASN A 95 8.786 10.828 2.200 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.750 11.468 2.009 1.00 0.00 O ATOM 1319 ND2 ASN A 95 9.921 11.113 1.575 1.00 0.00 N ATOM 0 H ASN A 95 6.432 10.652 3.173 1.00 0.00 H new ATOM 0 HA ASN A 95 7.964 8.955 5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.850 9.509 3.510 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.517 8.753 2.660 1.00 0.00 H new ATOM 0 HD21 ASN A 95 9.957 11.885 0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.758 10.560 1.760 1.00 0.00 H new ATOM 1325 N VAL A 96 8.798 10.773 6.474 1.00 0.00 N ATOM 1326 CA VAL A 96 9.297 11.801 7.370 1.00 0.00 C ATOM 1327 C VAL A 96 10.803 11.656 7.533 1.00 0.00 C ATOM 1328 O VAL A 96 11.275 10.707 8.159 1.00 0.00 O ATOM 1329 CB VAL A 96 8.620 11.713 8.755 1.00 0.00 C ATOM 1330 CG1 VAL A 96 9.095 12.840 9.661 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.103 11.740 8.615 1.00 0.00 C ATOM 0 H VAL A 96 8.768 9.839 6.883 1.00 0.00 H new ATOM 0 HA VAL A 96 9.063 12.772 6.933 1.00 0.00 H new ATOM 0 HB VAL A 96 8.905 10.766 9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.605 12.758 10.631 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.175 12.770 9.793 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.846 13.800 9.209 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.645 11.677 9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.799 12.669 8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.778 10.894 8.010 1.00 0.00 H new ATOM 1341 N ASN A 97 11.551 12.580 6.935 1.00 0.00 N ATOM 1342 CA ASN A 97 13.012 12.567 7.006 1.00 0.00 C ATOM 1343 C ASN A 97 13.576 11.275 6.427 1.00 0.00 C ATOM 1344 O ASN A 97 14.601 10.775 6.881 1.00 0.00 O ATOM 1345 CB ASN A 97 13.502 12.756 8.446 1.00 0.00 C ATOM 1346 CG ASN A 97 13.467 14.205 8.890 1.00 0.00 C ATOM 1347 OD1 ASN A 97 14.446 14.933 8.747 1.00 0.00 O ATOM 1348 ND2 ASN A 97 12.339 14.636 9.426 1.00 0.00 N ATOM 0 H ASN A 97 11.167 13.353 6.392 1.00 0.00 H new ATOM 0 HA ASN A 97 13.373 13.404 6.408 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.884 12.160 9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.521 12.379 8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.260 15.604 9.738 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.547 14.001 9.528 1.00 0.00 H new ATOM 1354 N GLY A 98 12.894 10.734 5.430 1.00 0.00 N ATOM 1355 CA GLY A 98 13.352 9.514 4.802 1.00 0.00 C ATOM 1356 C GLY A 98 12.656 8.274 5.326 1.00 0.00 C ATOM 1357 O GLY A 98 12.555 7.278 4.618 1.00 0.00 O ATOM 0 H GLY A 98 12.031 11.118 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.192 9.585 3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.426 9.413 4.959 1.00 0.00 H new ATOM 1361 N ARG A 99 12.161 8.329 6.556 1.00 0.00 N ATOM 1362 CA ARG A 99 11.497 7.177 7.154 1.00 0.00 C ATOM 1363 C ARG A 99 10.021 7.163 6.792 1.00 0.00 C ATOM 1364 O ARG A 99 9.389 8.209 6.710 1.00 0.00 O ATOM 1365 CB ARG A 99 11.668 7.173 8.677 1.00 0.00 C ATOM 1366 CG ARG A 99 13.119 7.211 9.128 1.00 0.00 C ATOM 1367 CD ARG A 99 13.591 8.638 9.365 1.00 0.00 C ATOM 1368 NE ARG A 99 15.045 8.730 9.487 1.00 0.00 N ATOM 1369 CZ ARG A 99 15.742 8.337 10.553 1.00 0.00 C ATOM 1370 NH1 ARG A 99 15.132 7.781 11.598 1.00 0.00 N ATOM 1371 NH2 ARG A 99 17.059 8.506 10.570 1.00 0.00 N ATOM 0 H ARG A 99 12.206 9.153 7.156 1.00 0.00 H new ATOM 0 HA ARG A 99 11.964 6.277 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.144 8.033 9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 99 11.193 6.281 9.085 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.232 6.632 10.045 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.748 6.739 8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.257 9.270 8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.128 9.025 10.272 1.00 0.00 H new ATOM 0 HE ARG A 99 15.563 9.123 8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.120 7.652 11.589 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.676 7.484 12.408 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.529 8.933 9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.601 8.208 11.381 1.00 0.00 H new ATOM 1382 N LEU A 100 9.477 5.978 6.575 1.00 0.00 N ATOM 1383 CA LEU A 100 8.076 5.843 6.206 1.00 0.00 C ATOM 1384 C LEU A 100 7.195 5.767 7.444 1.00 0.00 C ATOM 1385 O LEU A 100 7.403 4.922 8.314 1.00 0.00 O ATOM 1386 CB LEU A 100 7.880 4.595 5.342 1.00 0.00 C ATOM 1387 CG LEU A 100 7.065 4.818 4.068 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.729 5.869 3.204 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.907 3.515 3.295 1.00 0.00 C ATOM 0 H LEU A 100 9.983 5.095 6.648 1.00 0.00 H new ATOM 0 HA LEU A 100 7.785 6.723 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.859 4.204 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.388 3.829 5.942 1.00 0.00 H new ATOM 0 HG LEU A 100 6.072 5.169 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.141 6.021 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.793 6.807 3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.732 5.538 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.324 3.696 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.890 3.133 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.393 2.783 3.918 1.00 0.00 H new ATOM 1400 N VAL A 101 6.221 6.663 7.526 1.00 0.00 N ATOM 1401 CA VAL A 101 5.308 6.699 8.661 1.00 0.00 C ATOM 1402 C VAL A 101 3.862 6.771 8.179 1.00 0.00 C ATOM 1403 O VAL A 101 3.552 7.479 7.219 1.00 0.00 O ATOM 1404 CB VAL A 101 5.583 7.917 9.581 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.754 7.832 10.855 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.066 8.032 9.914 1.00 0.00 C ATOM 0 H VAL A 101 6.042 7.376 6.819 1.00 0.00 H new ATOM 0 HA VAL A 101 5.471 5.783 9.230 1.00 0.00 H new ATOM 0 HB VAL A 101 5.288 8.815 9.039 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.964 8.697 11.484 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.694 7.818 10.599 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.009 6.920 11.395 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.228 8.895 10.560 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.395 7.128 10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.637 8.156 8.994 1.00 0.00 H new ATOM 1416 N PHE A 102 2.989 6.015 8.828 1.00 0.00 N ATOM 1417 CA PHE A 102 1.577 6.032 8.491 1.00 0.00 C ATOM 1418 C PHE A 102 0.923 7.206 9.196 1.00 0.00 C ATOM 1419 O PHE A 102 1.122 7.412 10.395 1.00 0.00 O ATOM 1420 CB PHE A 102 0.885 4.717 8.878 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.603 4.854 9.057 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.436 5.146 7.982 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.168 4.718 10.315 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.795 5.291 8.164 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.528 4.868 10.499 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.340 5.156 9.424 1.00 0.00 C ATOM 0 H PHE A 102 3.235 5.383 9.590 1.00 0.00 H new ATOM 0 HA PHE A 102 1.473 6.140 7.411 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.084 3.971 8.109 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.322 4.344 9.804 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.014 5.260 6.995 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.537 4.492 11.162 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.433 5.510 7.320 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.955 4.760 11.485 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.404 5.276 9.568 1.00 0.00 H new ATOM 1435 N GLN A 103 0.165 7.982 8.451 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.495 9.144 9.008 1.00 0.00 C ATOM 1437 C GLN A 103 -1.993 9.105 8.736 1.00 0.00 C ATOM 1438 O GLN A 103 -2.771 9.020 9.711 1.00 0.00 O ATOM 1439 CB GLN A 103 0.138 10.409 8.427 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.040 11.643 9.290 1.00 0.00 C ATOM 1441 CD GLN A 103 0.758 12.824 8.776 1.00 0.00 C ATOM 1442 OE1 GLN A 103 0.261 13.634 7.991 1.00 0.00 O ATOM 1443 NE2 GLN A 103 2.009 12.925 9.204 1.00 0.00 N ATOM 1444 OXT GLN A 103 -2.387 9.129 7.554 1.00 0.00 O ATOM 0 H GLN A 103 -0.010 7.829 7.458 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.364 9.145 10.090 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.203 10.234 8.278 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.294 10.600 7.445 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.096 11.909 9.326 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.267 11.417 10.311 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.383 12.234 9.854 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.597 13.694 8.883 1.00 0.00 H new