USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 987 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 66 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.0184) USER MOD Set 1.2: A 101 TYR OH : rot 30:sc= -1.27 USER MOD Set 2.1: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 98 HIS : no HE2:sc= 0.574 K(o=0.57,f=-2.6!) USER MOD Set 3.1: A 58 THR OG1 : rot -89:sc= 0.957 USER MOD Set 3.2: A 67 HIS : no HD1:sc= 0.194 K(o=1.2,f=-1.7) USER MOD Set 4.1: A 52 THR OG1 : rot -127:sc= 1.17 USER MOD Set 4.2: A 54 SER OG : rot 180:sc= 1.01 USER MOD Set 5.1: A 23 TYR OH : rot -95:sc= 1.21 USER MOD Set 5.2: A 34 MET CE :methyl -108:sc= -6.49! (180deg=-9.84!) USER MOD Set 6.1: A 14 ASN : amide:sc= -0.342 K(o=-5.9,f=-12!) USER MOD Set 6.2: A 16 HIS :FLIP no HD1:sc= -5.57! C(o=-8.2!,f=-5.9!) USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0538 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0492 USER MOD Single : A 12 ASN : amide:sc= -1.43 K(o=-1.4,f=-6.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.407 (180deg=-0.951) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0.051 (180deg=0.0506) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.251 F(o=-1.3,f=-0.25) USER MOD Single : A 81 THR OG1 : rot -18:sc= 0.409 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -136:sc= 0.527 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -21:sc= 0.598 USER MOD Single : A 95 TYR OH : rot -79:sc= -2.13! USER MOD Single : A 97 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 104 MET CE :methyl 151:sc= -0.828 (180deg=-2.75!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.257 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.586 -5.553 -37.010 1.00 0.00 N ATOM 2 CA GLY A 1 15.761 -6.729 -36.803 1.00 0.00 C ATOM 3 C GLY A 1 15.456 -6.973 -35.338 1.00 0.00 C ATOM 4 O GLY A 1 16.163 -6.480 -34.460 1.00 0.00 O ATOM 0 H1 GLY A 1 15.994 -4.769 -37.351 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.036 -5.282 -36.112 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.321 -5.764 -37.715 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.826 -6.614 -37.351 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.267 -7.602 -37.216 1.00 0.00 H new ATOM 8 N SER A 2 14.400 -7.735 -35.074 1.00 0.00 N ATOM 9 CA SER A 2 13.999 -8.039 -33.705 1.00 0.00 C ATOM 10 C SER A 2 14.793 -9.221 -33.157 1.00 0.00 C ATOM 11 O SER A 2 14.242 -10.098 -32.493 1.00 0.00 O ATOM 12 CB SER A 2 12.501 -8.344 -33.645 1.00 0.00 C ATOM 13 OG SER A 2 12.167 -9.425 -34.499 1.00 0.00 O ATOM 0 H SER A 2 13.806 -8.153 -35.790 1.00 0.00 H new ATOM 0 HA SER A 2 14.209 -7.165 -33.088 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.216 -8.584 -32.621 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.934 -7.459 -33.934 1.00 0.00 H new ATOM 0 HG SER A 2 11.205 -9.602 -34.442 1.00 0.00 H new ATOM 19 N SER A 3 16.092 -9.236 -33.440 1.00 0.00 N ATOM 20 CA SER A 3 16.962 -10.311 -32.979 1.00 0.00 C ATOM 21 C SER A 3 16.934 -10.418 -31.457 1.00 0.00 C ATOM 22 O SER A 3 16.695 -11.490 -30.903 1.00 0.00 O ATOM 23 CB SER A 3 18.396 -10.077 -33.459 1.00 0.00 C ATOM 24 OG SER A 3 18.588 -10.595 -34.764 1.00 0.00 O ATOM 0 H SER A 3 16.565 -8.516 -33.986 1.00 0.00 H new ATOM 0 HA SER A 3 16.594 -11.247 -33.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.615 -9.009 -33.452 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.095 -10.550 -32.770 1.00 0.00 H new ATOM 0 HG SER A 3 19.511 -10.431 -35.048 1.00 0.00 H new ATOM 30 N GLY A 4 17.181 -9.296 -30.787 1.00 0.00 N ATOM 31 CA GLY A 4 17.180 -9.284 -29.336 1.00 0.00 C ATOM 32 C GLY A 4 15.871 -8.780 -28.761 1.00 0.00 C ATOM 33 O GLY A 4 15.670 -7.573 -28.624 1.00 0.00 O ATOM 0 H GLY A 4 17.382 -8.396 -31.223 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.371 -10.292 -28.967 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.996 -8.655 -28.980 1.00 0.00 H new ATOM 37 N SER A 5 14.978 -9.705 -28.425 1.00 0.00 N ATOM 38 CA SER A 5 13.680 -9.347 -27.867 1.00 0.00 C ATOM 39 C SER A 5 13.183 -10.427 -26.910 1.00 0.00 C ATOM 40 O SER A 5 13.250 -11.618 -27.212 1.00 0.00 O ATOM 41 CB SER A 5 12.660 -9.136 -28.988 1.00 0.00 C ATOM 42 OG SER A 5 12.181 -10.375 -29.482 1.00 0.00 O ATOM 0 H SER A 5 15.130 -10.708 -28.530 1.00 0.00 H new ATOM 0 HA SER A 5 13.796 -8.417 -27.310 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.825 -8.542 -28.617 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.118 -8.570 -29.799 1.00 0.00 H new ATOM 0 HG SER A 5 11.530 -10.213 -30.196 1.00 0.00 H new ATOM 48 N SER A 6 12.686 -10.000 -25.754 1.00 0.00 N ATOM 49 CA SER A 6 12.181 -10.929 -24.749 1.00 0.00 C ATOM 50 C SER A 6 10.657 -10.900 -24.699 1.00 0.00 C ATOM 51 O SER A 6 10.003 -11.941 -24.736 1.00 0.00 O ATOM 52 CB SER A 6 12.755 -10.586 -23.373 1.00 0.00 C ATOM 53 OG SER A 6 12.457 -9.247 -23.016 1.00 0.00 O ATOM 0 H SER A 6 12.622 -9.017 -25.490 1.00 0.00 H new ATOM 0 HA SER A 6 12.498 -11.934 -25.027 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.346 -11.265 -22.625 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.835 -10.732 -23.379 1.00 0.00 H new ATOM 0 HG SER A 6 12.833 -9.053 -22.132 1.00 0.00 H new ATOM 59 N GLY A 7 10.096 -9.697 -24.615 1.00 0.00 N ATOM 60 CA GLY A 7 8.653 -9.553 -24.560 1.00 0.00 C ATOM 61 C GLY A 7 8.178 -8.974 -23.243 1.00 0.00 C ATOM 62 O GLY A 7 8.921 -8.266 -22.563 1.00 0.00 O ATOM 0 H GLY A 7 10.615 -8.820 -24.584 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.324 -8.910 -25.376 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.188 -10.527 -24.714 1.00 0.00 H new ATOM 66 N ASP A 8 6.935 -9.273 -22.881 1.00 0.00 N ATOM 67 CA ASP A 8 6.360 -8.777 -21.636 1.00 0.00 C ATOM 68 C ASP A 8 6.067 -9.926 -20.677 1.00 0.00 C ATOM 69 O ASP A 8 5.790 -11.054 -21.087 1.00 0.00 O ATOM 70 CB ASP A 8 5.078 -7.992 -21.919 1.00 0.00 C ATOM 71 CG ASP A 8 5.329 -6.759 -22.764 1.00 0.00 C ATOM 72 OD1 ASP A 8 5.333 -6.881 -24.007 1.00 0.00 O ATOM 73 OD2 ASP A 8 5.520 -5.670 -22.182 1.00 0.00 O ATOM 0 H ASP A 8 6.306 -9.857 -23.432 1.00 0.00 H new ATOM 0 HA ASP A 8 7.087 -8.114 -21.167 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.364 -8.639 -22.429 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.621 -7.695 -20.975 1.00 0.00 H new ATOM 78 N PRO A 9 6.129 -9.636 -19.369 1.00 0.00 N ATOM 79 CA PRO A 9 5.874 -10.633 -18.324 1.00 0.00 C ATOM 80 C PRO A 9 4.407 -11.045 -18.263 1.00 0.00 C ATOM 81 O PRO A 9 3.514 -10.245 -18.544 1.00 0.00 O ATOM 82 CB PRO A 9 6.280 -9.910 -17.038 1.00 0.00 C ATOM 83 CG PRO A 9 6.120 -8.462 -17.350 1.00 0.00 C ATOM 84 CD PRO A 9 6.453 -8.314 -18.809 1.00 0.00 C ATOM 0 HA PRO A 9 6.422 -11.558 -18.500 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.648 -10.207 -16.201 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.308 -10.144 -16.760 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.102 -8.129 -17.146 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.784 -7.854 -16.735 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.865 -7.524 -19.277 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.503 -8.061 -18.958 1.00 0.00 H new ATOM 92 N VAL A 10 4.165 -12.299 -17.893 1.00 0.00 N ATOM 93 CA VAL A 10 2.806 -12.817 -17.793 1.00 0.00 C ATOM 94 C VAL A 10 1.860 -11.772 -17.211 1.00 0.00 C ATOM 95 O VAL A 10 2.202 -11.038 -16.283 1.00 0.00 O ATOM 96 CB VAL A 10 2.751 -14.085 -16.920 1.00 0.00 C ATOM 97 CG1 VAL A 10 3.397 -15.258 -17.642 1.00 0.00 C ATOM 98 CG2 VAL A 10 3.425 -13.838 -15.579 1.00 0.00 C ATOM 0 H VAL A 10 4.892 -12.974 -17.658 1.00 0.00 H new ATOM 0 HA VAL A 10 2.488 -13.067 -18.805 1.00 0.00 H new ATOM 0 HB VAL A 10 1.706 -14.333 -16.735 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.349 -16.145 -17.010 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.866 -15.448 -18.575 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.439 -15.023 -17.859 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.377 -14.744 -14.975 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.468 -13.565 -15.741 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.914 -13.028 -15.059 1.00 0.00 H new ATOM 108 N PRO A 11 0.642 -11.702 -17.767 1.00 0.00 N ATOM 109 CA PRO A 11 -0.379 -10.750 -17.318 1.00 0.00 C ATOM 110 C PRO A 11 -0.923 -11.093 -15.935 1.00 0.00 C ATOM 111 O PRO A 11 -1.695 -12.037 -15.778 1.00 0.00 O ATOM 112 CB PRO A 11 -1.479 -10.887 -18.374 1.00 0.00 C ATOM 113 CG PRO A 11 -1.309 -12.261 -18.923 1.00 0.00 C ATOM 114 CD PRO A 11 0.167 -12.546 -18.876 1.00 0.00 C ATOM 0 HA PRO A 11 0.018 -9.739 -17.224 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.468 -10.756 -17.935 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.374 -10.133 -19.154 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.866 -12.989 -18.333 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.686 -12.323 -19.944 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.367 -13.602 -18.692 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.656 -12.288 -19.815 1.00 0.00 H new ATOM 122 N ASN A 12 -0.514 -10.318 -14.935 1.00 0.00 N ATOM 123 CA ASN A 12 -0.961 -10.540 -13.565 1.00 0.00 C ATOM 124 C ASN A 12 -2.355 -9.960 -13.346 1.00 0.00 C ATOM 125 O ASN A 12 -2.585 -8.760 -13.493 1.00 0.00 O ATOM 126 CB ASN A 12 0.025 -9.913 -12.577 1.00 0.00 C ATOM 127 CG ASN A 12 -0.373 -10.150 -11.133 1.00 0.00 C ATOM 128 OD1 ASN A 12 -1.002 -11.157 -10.808 1.00 0.00 O ATOM 129 ND2 ASN A 12 -0.009 -9.219 -10.259 1.00 0.00 N ATOM 0 H ASN A 12 0.126 -9.532 -15.048 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.003 -11.616 -13.393 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.019 -10.325 -12.749 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.088 -8.841 -12.762 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.250 -9.323 -9.273 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.512 -8.400 -10.573 1.00 0.00 H new ATOM 136 N PRO A 13 -3.308 -10.832 -12.986 1.00 0.00 N ATOM 137 CA PRO A 13 -4.696 -10.430 -12.738 1.00 0.00 C ATOM 138 C PRO A 13 -4.840 -9.597 -11.469 1.00 0.00 C ATOM 139 O PRO A 13 -5.933 -9.143 -11.134 1.00 0.00 O ATOM 140 CB PRO A 13 -5.431 -11.764 -12.589 1.00 0.00 C ATOM 141 CG PRO A 13 -4.385 -12.725 -12.141 1.00 0.00 C ATOM 142 CD PRO A 13 -3.105 -12.278 -12.793 1.00 0.00 C ATOM 0 HA PRO A 13 -5.087 -9.800 -13.537 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.239 -11.691 -11.862 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.878 -12.077 -13.532 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.292 -12.722 -11.055 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.638 -13.743 -12.436 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.240 -12.482 -12.162 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.936 -12.790 -13.740 1.00 0.00 H new ATOM 150 N ASN A 14 -3.729 -9.402 -10.766 1.00 0.00 N ATOM 151 CA ASN A 14 -3.733 -8.624 -9.532 1.00 0.00 C ATOM 152 C ASN A 14 -2.954 -7.323 -9.707 1.00 0.00 C ATOM 153 O ASN A 14 -1.785 -7.216 -9.337 1.00 0.00 O ATOM 154 CB ASN A 14 -3.131 -9.441 -8.387 1.00 0.00 C ATOM 155 CG ASN A 14 -4.169 -10.285 -7.672 1.00 0.00 C ATOM 156 OD1 ASN A 14 -4.740 -9.865 -6.665 1.00 0.00 O ATOM 157 ND2 ASN A 14 -4.417 -11.482 -8.191 1.00 0.00 N ATOM 0 H ASN A 14 -2.815 -9.771 -11.029 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.767 -8.379 -9.290 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.347 -10.089 -8.779 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.659 -8.767 -7.672 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.105 -12.095 -7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.920 -11.788 -9.027 1.00 0.00 H new ATOM 164 N PRO A 15 -3.617 -6.310 -10.285 1.00 0.00 N ATOM 165 CA PRO A 15 -3.007 -4.998 -10.521 1.00 0.00 C ATOM 166 C PRO A 15 -2.764 -4.230 -9.226 1.00 0.00 C ATOM 167 O PRO A 15 -1.927 -3.328 -9.175 1.00 0.00 O ATOM 168 CB PRO A 15 -4.044 -4.275 -11.385 1.00 0.00 C ATOM 169 CG PRO A 15 -5.339 -4.930 -11.048 1.00 0.00 C ATOM 170 CD PRO A 15 -5.012 -6.367 -10.751 1.00 0.00 C ATOM 0 HA PRO A 15 -2.026 -5.083 -10.989 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.070 -3.208 -11.163 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.814 -4.374 -12.446 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.807 -4.451 -10.188 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.042 -4.853 -11.877 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.673 -6.781 -9.990 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.114 -6.994 -11.637 1.00 0.00 H new ATOM 178 N HIS A 16 -3.501 -4.593 -8.181 1.00 0.00 N ATOM 179 CA HIS A 16 -3.364 -3.938 -6.885 1.00 0.00 C ATOM 180 C HIS A 16 -1.895 -3.797 -6.500 1.00 0.00 C ATOM 181 O HIS A 16 -1.430 -2.703 -6.179 1.00 0.00 O ATOM 182 CB HIS A 16 -4.111 -4.728 -5.809 1.00 0.00 C ATOM 183 CG HIS A 16 -3.412 -5.986 -5.396 1.00 0.00 C ATOM 184 ND1 HIS A 16 -2.431 -6.196 -4.487 1.00 0.00 N flip ATOM 185 CD2 HIS A 16 -3.699 -7.220 -5.940 1.00 0.00 C flip ATOM 186 CE1 HIS A 16 -2.148 -7.540 -4.497 1.00 0.00 C flip ATOM 187 NE2 HIS A 16 -2.927 -8.135 -5.382 1.00 0.00 N flip ATOM 0 H HIS A 16 -4.199 -5.337 -8.206 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.799 -2.941 -6.962 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.247 -4.094 -4.933 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.105 -4.979 -6.179 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.439 -7.409 -6.703 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -1.409 -8.030 -3.881 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -2.932 -9.132 -5.598 1.00 0.00 H new ATOM 196 N GLU A 17 -1.169 -4.910 -6.534 1.00 0.00 N ATOM 197 CA GLU A 17 0.248 -4.909 -6.188 1.00 0.00 C ATOM 198 C GLU A 17 1.066 -4.175 -7.246 1.00 0.00 C ATOM 199 O GLU A 17 1.999 -3.438 -6.924 1.00 0.00 O ATOM 200 CB GLU A 17 0.759 -6.343 -6.035 1.00 0.00 C ATOM 201 CG GLU A 17 0.745 -7.135 -7.331 1.00 0.00 C ATOM 202 CD GLU A 17 1.116 -8.592 -7.129 1.00 0.00 C ATOM 203 OE1 GLU A 17 0.219 -9.390 -6.785 1.00 0.00 O ATOM 204 OE2 GLU A 17 2.303 -8.932 -7.314 1.00 0.00 O ATOM 0 H GLU A 17 -1.538 -5.824 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 17 0.364 -4.387 -5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.777 -6.318 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.148 -6.861 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.247 -7.075 -7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.441 -6.681 -8.037 1.00 0.00 H new ATOM 211 N SER A 18 0.711 -4.383 -8.510 1.00 0.00 N ATOM 212 CA SER A 18 1.415 -3.745 -9.616 1.00 0.00 C ATOM 213 C SER A 18 1.383 -2.226 -9.477 1.00 0.00 C ATOM 214 O SER A 18 2.308 -1.532 -9.900 1.00 0.00 O ATOM 215 CB SER A 18 0.791 -4.159 -10.951 1.00 0.00 C ATOM 216 OG SER A 18 0.909 -5.556 -11.157 1.00 0.00 O ATOM 0 H SER A 18 -0.060 -4.988 -8.793 1.00 0.00 H new ATOM 0 HA SER A 18 2.454 -4.073 -9.590 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.261 -3.873 -10.969 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.280 -3.625 -11.766 1.00 0.00 H new ATOM 0 HG SER A 18 0.501 -5.796 -12.015 1.00 0.00 H new ATOM 222 N LYS A 19 0.312 -1.715 -8.880 1.00 0.00 N ATOM 223 CA LYS A 19 0.158 -0.279 -8.682 1.00 0.00 C ATOM 224 C LYS A 19 1.442 0.336 -8.135 1.00 0.00 C ATOM 225 O LYS A 19 2.196 -0.297 -7.396 1.00 0.00 O ATOM 226 CB LYS A 19 -1.003 0.003 -7.725 1.00 0.00 C ATOM 227 CG LYS A 19 -2.370 -0.268 -8.330 1.00 0.00 C ATOM 228 CD LYS A 19 -2.841 0.895 -9.186 1.00 0.00 C ATOM 229 CE LYS A 19 -3.753 0.425 -10.310 1.00 0.00 C ATOM 230 NZ LYS A 19 -3.066 -0.536 -11.216 1.00 0.00 N ATOM 0 H LYS A 19 -0.463 -2.275 -8.524 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.058 0.175 -9.649 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.883 -0.609 -6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.956 1.044 -7.407 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.328 -1.173 -8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.092 -0.451 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.371 1.616 -8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.978 1.411 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.639 -0.046 -9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.094 1.286 -10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.586 -0.599 -12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.096 -0.208 -11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.035 -1.474 -10.768 1.00 0.00 H new ATOM 244 N PRO A 20 1.698 1.600 -8.504 1.00 0.00 N ATOM 245 CA PRO A 20 2.890 2.329 -8.060 1.00 0.00 C ATOM 246 C PRO A 20 2.842 2.668 -6.574 1.00 0.00 C ATOM 247 O PRO A 20 3.869 2.672 -5.895 1.00 0.00 O ATOM 248 CB PRO A 20 2.859 3.607 -8.901 1.00 0.00 C ATOM 249 CG PRO A 20 1.423 3.797 -9.249 1.00 0.00 C ATOM 250 CD PRO A 20 0.842 2.416 -9.382 1.00 0.00 C ATOM 0 HA PRO A 20 3.798 1.740 -8.188 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.247 4.458 -8.342 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.473 3.507 -9.796 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.906 4.365 -8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.318 4.356 -10.179 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.201 2.387 -9.067 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.873 2.064 -10.413 1.00 0.00 H new ATOM 258 N TRP A 21 1.644 2.952 -6.075 1.00 0.00 N ATOM 259 CA TRP A 21 1.463 3.293 -4.669 1.00 0.00 C ATOM 260 C TRP A 21 1.448 2.038 -3.802 1.00 0.00 C ATOM 261 O TRP A 21 1.083 2.088 -2.628 1.00 0.00 O ATOM 262 CB TRP A 21 0.163 4.076 -4.476 1.00 0.00 C ATOM 263 CG TRP A 21 -0.985 3.526 -5.267 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.461 3.998 -6.457 1.00 0.00 C ATOM 265 CD2 TRP A 21 -1.802 2.401 -4.924 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.524 3.235 -6.874 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.753 2.248 -5.952 1.00 0.00 C ATOM 268 CE3 TRP A 21 -1.821 1.508 -3.850 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.712 1.239 -5.933 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.774 0.507 -3.833 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.708 0.378 -4.869 1.00 0.00 C ATOM 0 H TRP A 21 0.784 2.953 -6.623 1.00 0.00 H new ATOM 0 HA TRP A 21 2.303 3.915 -4.361 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.100 4.074 -3.418 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.327 5.115 -4.762 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.060 4.847 -6.992 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.057 3.380 -7.732 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.104 1.598 -3.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.434 1.139 -6.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.799 -0.188 -3.007 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.439 -0.416 -4.827 1.00 0.00 H new ATOM 282 N TYR A 22 1.847 0.915 -4.389 1.00 0.00 N ATOM 283 CA TYR A 22 1.878 -0.353 -3.670 1.00 0.00 C ATOM 284 C TYR A 22 3.256 -0.604 -3.066 1.00 0.00 C ATOM 285 O TYR A 22 4.281 -0.348 -3.699 1.00 0.00 O ATOM 286 CB TYR A 22 1.503 -1.503 -4.606 1.00 0.00 C ATOM 287 CG TYR A 22 1.742 -2.872 -4.010 1.00 0.00 C ATOM 288 CD1 TYR A 22 0.863 -3.409 -3.078 1.00 0.00 C ATOM 289 CD2 TYR A 22 2.848 -3.628 -4.379 1.00 0.00 C ATOM 290 CE1 TYR A 22 1.078 -4.658 -2.530 1.00 0.00 C ATOM 291 CE2 TYR A 22 3.070 -4.879 -3.837 1.00 0.00 C ATOM 292 CZ TYR A 22 2.183 -5.390 -2.913 1.00 0.00 C ATOM 293 OH TYR A 22 2.401 -6.636 -2.371 1.00 0.00 O ATOM 0 H TYR A 22 2.153 0.857 -5.360 1.00 0.00 H new ATOM 0 HA TYR A 22 1.151 -0.300 -2.860 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.451 -1.412 -4.876 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.078 -1.412 -5.528 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.004 -2.840 -2.777 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.546 -3.231 -5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.385 -5.060 -1.806 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.934 -5.454 -4.135 1.00 0.00 H new ATOM 0 HH TYR A 22 3.221 -7.018 -2.748 1.00 0.00 H new ATOM 303 N TYR A 23 3.273 -1.106 -1.836 1.00 0.00 N ATOM 304 CA TYR A 23 4.525 -1.391 -1.144 1.00 0.00 C ATOM 305 C TYR A 23 4.561 -2.835 -0.655 1.00 0.00 C ATOM 306 O TYR A 23 3.616 -3.314 -0.028 1.00 0.00 O ATOM 307 CB TYR A 23 4.706 -0.436 0.037 1.00 0.00 C ATOM 308 CG TYR A 23 5.191 0.939 -0.364 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.524 1.159 -0.691 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.317 2.017 -0.416 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.971 2.413 -1.058 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.755 3.275 -0.783 1.00 0.00 C ATOM 313 CZ TYR A 23 6.083 3.468 -1.103 1.00 0.00 C ATOM 314 OH TYR A 23 6.524 4.719 -1.468 1.00 0.00 O ATOM 0 H TYR A 23 2.434 -1.324 -1.298 1.00 0.00 H new ATOM 0 HA TYR A 23 5.343 -1.246 -1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.756 -0.338 0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.416 -0.872 0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.222 0.335 -0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.277 1.869 -0.165 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.010 2.567 -1.308 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.062 4.102 -0.819 1.00 0.00 H new ATOM 0 HH TYR A 23 6.734 5.239 -0.664 1.00 0.00 H new ATOM 324 N ASP A 24 5.658 -3.524 -0.946 1.00 0.00 N ATOM 325 CA ASP A 24 5.821 -4.914 -0.536 1.00 0.00 C ATOM 326 C ASP A 24 6.917 -5.046 0.516 1.00 0.00 C ATOM 327 O ASP A 24 6.813 -5.855 1.438 1.00 0.00 O ATOM 328 CB ASP A 24 6.149 -5.791 -1.745 1.00 0.00 C ATOM 329 CG ASP A 24 6.366 -7.242 -1.366 1.00 0.00 C ATOM 330 OD1 ASP A 24 7.384 -7.537 -0.705 1.00 0.00 O ATOM 331 OD2 ASP A 24 5.519 -8.084 -1.731 1.00 0.00 O ATOM 0 H ASP A 24 6.449 -3.142 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 24 4.881 -5.250 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.337 -5.725 -2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.044 -5.409 -2.235 1.00 0.00 H new ATOM 336 N ARG A 25 7.969 -4.245 0.371 1.00 0.00 N ATOM 337 CA ARG A 25 9.086 -4.274 1.307 1.00 0.00 C ATOM 338 C ARG A 25 9.241 -2.929 2.009 1.00 0.00 C ATOM 339 O ARG A 25 10.348 -2.401 2.126 1.00 0.00 O ATOM 340 CB ARG A 25 10.382 -4.633 0.577 1.00 0.00 C ATOM 341 CG ARG A 25 10.780 -3.624 -0.488 1.00 0.00 C ATOM 342 CD ARG A 25 12.078 -4.021 -1.173 1.00 0.00 C ATOM 343 NE ARG A 25 12.795 -2.864 -1.702 1.00 0.00 N ATOM 344 CZ ARG A 25 12.470 -2.253 -2.835 1.00 0.00 C ATOM 345 NH1 ARG A 25 11.445 -2.687 -3.556 1.00 0.00 N ATOM 346 NH2 ARG A 25 13.170 -1.205 -3.250 1.00 0.00 N ATOM 0 H ARG A 25 8.070 -3.569 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 25 8.878 -5.035 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.188 -4.717 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.268 -5.613 0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.985 -3.544 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.893 -2.639 -0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.715 -4.549 -0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.862 -4.715 -1.985 1.00 0.00 H new ATOM 0 HE ARG A 25 13.589 -2.506 -1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.904 -3.492 -3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.198 -2.216 -4.426 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.959 -0.868 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.919 -0.737 -4.121 1.00 0.00 H new ATOM 360 N LEU A 26 8.126 -2.378 2.475 1.00 0.00 N ATOM 361 CA LEU A 26 8.137 -1.093 3.166 1.00 0.00 C ATOM 362 C LEU A 26 8.052 -1.286 4.676 1.00 0.00 C ATOM 363 O LEU A 26 7.491 -2.272 5.156 1.00 0.00 O ATOM 364 CB LEU A 26 6.975 -0.223 2.685 1.00 0.00 C ATOM 365 CG LEU A 26 6.904 1.187 3.272 1.00 0.00 C ATOM 366 CD1 LEU A 26 8.043 2.044 2.741 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.560 1.829 2.959 1.00 0.00 C ATOM 0 H LEU A 26 7.202 -2.801 2.387 1.00 0.00 H new ATOM 0 HA LEU A 26 9.077 -0.592 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.034 -0.140 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.042 -0.738 2.915 1.00 0.00 H new ATOM 0 HG LEU A 26 7.005 1.114 4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.976 3.044 3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.996 1.594 3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.974 2.109 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.528 2.832 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.428 1.889 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.760 1.227 3.389 1.00 0.00 H new ATOM 379 N SER A 27 8.612 -0.338 5.422 1.00 0.00 N ATOM 380 CA SER A 27 8.600 -0.405 6.878 1.00 0.00 C ATOM 381 C SER A 27 7.811 0.760 7.469 1.00 0.00 C ATOM 382 O SER A 27 7.644 1.798 6.830 1.00 0.00 O ATOM 383 CB SER A 27 10.031 -0.394 7.421 1.00 0.00 C ATOM 384 OG SER A 27 10.785 -1.471 6.892 1.00 0.00 O ATOM 0 H SER A 27 9.079 0.485 5.041 1.00 0.00 H new ATOM 0 HA SER A 27 8.114 -1.336 7.171 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.512 0.550 7.167 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.011 -0.459 8.509 1.00 0.00 H new ATOM 0 HG SER A 27 11.696 -1.441 7.253 1.00 0.00 H new ATOM 390 N ARG A 28 7.329 0.578 8.694 1.00 0.00 N ATOM 391 CA ARG A 28 6.556 1.612 9.372 1.00 0.00 C ATOM 392 C ARG A 28 7.350 2.912 9.462 1.00 0.00 C ATOM 393 O ARG A 28 6.967 3.926 8.880 1.00 0.00 O ATOM 394 CB ARG A 28 6.160 1.146 10.774 1.00 0.00 C ATOM 395 CG ARG A 28 5.075 0.081 10.778 1.00 0.00 C ATOM 396 CD ARG A 28 5.009 -0.642 12.114 1.00 0.00 C ATOM 397 NE ARG A 28 4.170 -1.836 12.049 1.00 0.00 N ATOM 398 CZ ARG A 28 4.298 -2.870 12.873 1.00 0.00 C ATOM 399 NH1 ARG A 28 5.226 -2.856 13.820 1.00 0.00 N ATOM 400 NH2 ARG A 28 3.497 -3.920 12.751 1.00 0.00 N ATOM 0 H ARG A 28 7.460 -0.275 9.237 1.00 0.00 H new ATOM 0 HA ARG A 28 5.653 1.797 8.790 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.043 0.755 11.281 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.816 2.005 11.350 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.111 0.542 10.564 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.267 -0.639 9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.015 -0.923 12.425 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.618 0.035 12.874 1.00 0.00 H new ATOM 0 HE ARG A 28 3.446 -1.878 11.332 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.844 -2.050 13.917 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.322 -3.651 14.451 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.782 -3.934 12.024 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.596 -4.713 13.384 1.00 0.00 H new ATOM 414 N GLY A 29 8.457 2.874 10.197 1.00 0.00 N ATOM 415 CA GLY A 29 9.286 4.055 10.351 1.00 0.00 C ATOM 416 C GLY A 29 9.379 4.868 9.075 1.00 0.00 C ATOM 417 O GLY A 29 9.601 6.078 9.117 1.00 0.00 O ATOM 0 H GLY A 29 8.795 2.046 10.689 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.880 4.679 11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.287 3.755 10.661 1.00 0.00 H new ATOM 421 N GLU A 30 9.211 4.202 7.937 1.00 0.00 N ATOM 422 CA GLU A 30 9.280 4.872 6.643 1.00 0.00 C ATOM 423 C GLU A 30 7.888 5.274 6.164 1.00 0.00 C ATOM 424 O GLU A 30 7.694 6.370 5.640 1.00 0.00 O ATOM 425 CB GLU A 30 9.945 3.962 5.608 1.00 0.00 C ATOM 426 CG GLU A 30 11.373 3.582 5.959 1.00 0.00 C ATOM 427 CD GLU A 30 11.924 2.491 5.062 1.00 0.00 C ATOM 428 OE1 GLU A 30 11.716 1.300 5.377 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.563 2.828 4.043 1.00 0.00 O ATOM 0 H GLU A 30 9.026 3.200 7.884 1.00 0.00 H new ATOM 0 HA GLU A 30 9.879 5.775 6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.352 3.054 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.939 4.462 4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.009 4.464 5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.412 3.249 6.996 1.00 0.00 H new ATOM 436 N ALA A 31 6.924 4.379 6.348 1.00 0.00 N ATOM 437 CA ALA A 31 5.550 4.640 5.936 1.00 0.00 C ATOM 438 C ALA A 31 5.041 5.952 6.523 1.00 0.00 C ATOM 439 O ALA A 31 4.730 6.890 5.791 1.00 0.00 O ATOM 440 CB ALA A 31 4.647 3.488 6.351 1.00 0.00 C ATOM 0 H ALA A 31 7.069 3.466 6.780 1.00 0.00 H new ATOM 0 HA ALA A 31 5.533 4.728 4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.624 3.696 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.991 2.568 5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.678 3.374 7.435 1.00 0.00 H new ATOM 446 N GLU A 32 4.959 6.010 7.849 1.00 0.00 N ATOM 447 CA GLU A 32 4.486 7.207 8.533 1.00 0.00 C ATOM 448 C GLU A 32 5.260 8.439 8.072 1.00 0.00 C ATOM 449 O GLU A 32 4.670 9.435 7.653 1.00 0.00 O ATOM 450 CB GLU A 32 4.623 7.044 10.048 1.00 0.00 C ATOM 451 CG GLU A 32 3.660 6.028 10.640 1.00 0.00 C ATOM 452 CD GLU A 32 4.105 5.525 12.000 1.00 0.00 C ATOM 453 OE1 GLU A 32 4.115 6.328 12.956 1.00 0.00 O ATOM 454 OE2 GLU A 32 4.444 4.328 12.107 1.00 0.00 O ATOM 0 H GLU A 32 5.214 5.242 8.470 1.00 0.00 H new ATOM 0 HA GLU A 32 3.434 7.345 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.644 6.743 10.282 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.458 8.010 10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.672 6.479 10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.564 5.183 9.958 1.00 0.00 H new ATOM 461 N ASP A 33 6.584 8.363 8.152 1.00 0.00 N ATOM 462 CA ASP A 33 7.440 9.470 7.742 1.00 0.00 C ATOM 463 C ASP A 33 7.061 9.963 6.349 1.00 0.00 C ATOM 464 O ASP A 33 6.769 11.143 6.156 1.00 0.00 O ATOM 465 CB ASP A 33 8.908 9.043 7.764 1.00 0.00 C ATOM 466 CG ASP A 33 9.850 10.219 7.934 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.835 10.840 9.017 1.00 0.00 O ATOM 468 OD2 ASP A 33 10.602 10.518 6.982 1.00 0.00 O ATOM 0 H ASP A 33 7.088 7.546 8.497 1.00 0.00 H new ATOM 0 HA ASP A 33 7.297 10.288 8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.065 8.335 8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.146 8.522 6.837 1.00 0.00 H new ATOM 473 N MET A 34 7.070 9.052 5.382 1.00 0.00 N ATOM 474 CA MET A 34 6.727 9.394 4.007 1.00 0.00 C ATOM 475 C MET A 34 5.633 10.457 3.967 1.00 0.00 C ATOM 476 O MET A 34 5.823 11.537 3.406 1.00 0.00 O ATOM 477 CB MET A 34 6.270 8.147 3.247 1.00 0.00 C ATOM 478 CG MET A 34 7.419 7.308 2.711 1.00 0.00 C ATOM 479 SD MET A 34 7.005 6.468 1.169 1.00 0.00 S ATOM 480 CE MET A 34 5.577 5.514 1.676 1.00 0.00 C ATOM 0 H MET A 34 7.311 8.071 5.525 1.00 0.00 H new ATOM 0 HA MET A 34 7.619 9.797 3.527 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.659 7.532 3.908 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.634 8.451 2.416 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.287 7.948 2.550 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.703 6.568 3.459 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.846 4.459 1.733 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.240 5.856 2.654 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.775 5.645 0.949 1.00 0.00 H new ATOM 490 N LEU A 35 4.490 10.145 4.566 1.00 0.00 N ATOM 491 CA LEU A 35 3.365 11.073 4.600 1.00 0.00 C ATOM 492 C LEU A 35 3.782 12.412 5.198 1.00 0.00 C ATOM 493 O LEU A 35 3.334 13.469 4.753 1.00 0.00 O ATOM 494 CB LEU A 35 2.210 10.478 5.407 1.00 0.00 C ATOM 495 CG LEU A 35 1.243 9.581 4.634 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.685 10.315 3.425 1.00 0.00 C ATOM 497 CD2 LEU A 35 1.934 8.294 4.207 1.00 0.00 C ATOM 0 H LEU A 35 4.317 9.256 5.035 1.00 0.00 H new ATOM 0 HA LEU A 35 3.034 11.241 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.629 9.901 6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.641 11.297 5.847 1.00 0.00 H new ATOM 0 HG LEU A 35 0.413 9.323 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.001 9.661 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.153 11.207 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.503 10.604 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.230 7.668 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.784 8.532 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.284 7.759 5.090 1.00 0.00 H new ATOM 509 N MET A 36 4.644 12.360 6.209 1.00 0.00 N ATOM 510 CA MET A 36 5.124 13.570 6.866 1.00 0.00 C ATOM 511 C MET A 36 5.868 14.466 5.880 1.00 0.00 C ATOM 512 O MET A 36 5.971 15.676 6.083 1.00 0.00 O ATOM 513 CB MET A 36 6.040 13.210 8.037 1.00 0.00 C ATOM 514 CG MET A 36 5.415 12.234 9.020 1.00 0.00 C ATOM 515 SD MET A 36 6.217 12.265 10.635 1.00 0.00 S ATOM 516 CE MET A 36 4.814 11.992 11.715 1.00 0.00 C ATOM 0 H MET A 36 5.024 11.494 6.590 1.00 0.00 H new ATOM 0 HA MET A 36 4.260 14.116 7.244 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.962 12.779 7.647 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.313 14.122 8.567 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.358 12.471 9.139 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.471 11.226 8.610 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.149 11.985 12.752 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.086 12.791 11.575 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.352 11.034 11.476 1.00 0.00 H new ATOM 526 N ARG A 37 6.384 13.864 4.814 1.00 0.00 N ATOM 527 CA ARG A 37 7.119 14.608 3.798 1.00 0.00 C ATOM 528 C ARG A 37 6.165 15.230 2.783 1.00 0.00 C ATOM 529 O ARG A 37 6.353 16.370 2.357 1.00 0.00 O ATOM 530 CB ARG A 37 8.113 13.690 3.084 1.00 0.00 C ATOM 531 CG ARG A 37 9.183 13.121 4.000 1.00 0.00 C ATOM 532 CD ARG A 37 9.763 11.830 3.445 1.00 0.00 C ATOM 533 NE ARG A 37 10.687 12.075 2.341 1.00 0.00 N ATOM 534 CZ ARG A 37 11.945 12.469 2.508 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.426 12.660 3.729 1.00 0.00 N ATOM 536 NH2 ARG A 37 12.724 12.671 1.454 1.00 0.00 N ATOM 0 H ARG A 37 6.307 12.863 4.631 1.00 0.00 H new ATOM 0 HA ARG A 37 7.666 15.409 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.567 12.867 2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.594 14.246 2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.980 13.853 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.758 12.936 4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.282 11.295 4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.953 11.186 3.103 1.00 0.00 H new ATOM 0 HE ARG A 37 10.348 11.936 1.389 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.830 12.504 4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.392 12.962 3.855 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.358 12.524 0.513 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.689 12.973 1.584 1.00 0.00 H new ATOM 550 N ILE A 38 5.141 14.474 2.399 1.00 0.00 N ATOM 551 CA ILE A 38 4.158 14.951 1.435 1.00 0.00 C ATOM 552 C ILE A 38 3.370 16.131 1.993 1.00 0.00 C ATOM 553 O ILE A 38 2.571 15.994 2.919 1.00 0.00 O ATOM 554 CB ILE A 38 3.175 13.835 1.034 1.00 0.00 C ATOM 555 CG1 ILE A 38 3.928 12.525 0.792 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.393 14.240 -0.207 1.00 0.00 C ATOM 557 CD1 ILE A 38 5.077 12.660 -0.183 1.00 0.00 C ATOM 0 H ILE A 38 4.971 13.528 2.741 1.00 0.00 H new ATOM 0 HA ILE A 38 4.711 15.271 0.552 1.00 0.00 H new ATOM 0 HB ILE A 38 2.470 13.681 1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.311 12.154 1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.229 11.778 0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.702 13.442 -0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.831 15.151 -0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.084 14.418 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.565 11.693 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.698 13.001 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.797 13.383 0.201 1.00 0.00 H new ATOM 569 N PRO A 39 3.597 17.320 1.415 1.00 0.00 N ATOM 570 CA PRO A 39 2.915 18.548 1.836 1.00 0.00 C ATOM 571 C PRO A 39 1.435 18.543 1.472 1.00 0.00 C ATOM 572 O PRO A 39 0.726 19.523 1.703 1.00 0.00 O ATOM 573 CB PRO A 39 3.652 19.645 1.065 1.00 0.00 C ATOM 574 CG PRO A 39 4.208 18.958 -0.134 1.00 0.00 C ATOM 575 CD PRO A 39 4.535 17.558 0.306 1.00 0.00 C ATOM 0 HA PRO A 39 2.941 18.678 2.918 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.976 20.452 0.781 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.443 20.090 1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.486 18.952 -0.950 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.098 19.470 -0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.393 16.840 -0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.572 17.471 0.631 1.00 0.00 H new ATOM 583 N ARG A 40 0.974 17.435 0.902 1.00 0.00 N ATOM 584 CA ARG A 40 -0.423 17.304 0.505 1.00 0.00 C ATOM 585 C ARG A 40 -1.218 16.537 1.558 1.00 0.00 C ATOM 586 O ARG A 40 -0.975 15.353 1.793 1.00 0.00 O ATOM 587 CB ARG A 40 -0.527 16.593 -0.845 1.00 0.00 C ATOM 588 CG ARG A 40 0.108 17.365 -1.990 1.00 0.00 C ATOM 589 CD ARG A 40 -0.856 18.382 -2.579 1.00 0.00 C ATOM 590 NE ARG A 40 -0.184 19.316 -3.479 1.00 0.00 N ATOM 591 CZ ARG A 40 0.505 20.372 -3.062 1.00 0.00 C ATOM 592 NH1 ARG A 40 0.613 20.627 -1.765 1.00 0.00 N ATOM 593 NH2 ARG A 40 1.089 21.175 -3.942 1.00 0.00 N ATOM 0 H ARG A 40 1.547 16.615 0.705 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.844 18.305 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.051 15.615 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.578 16.419 -1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.003 17.875 -1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.425 16.670 -2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.646 17.861 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.335 18.937 -1.772 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.247 19.148 -4.483 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.166 20.011 -1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.143 21.439 -1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.009 20.982 -4.940 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.618 21.986 -3.620 1.00 0.00 H new ATOM 607 N ASP A 41 -2.167 17.220 2.189 1.00 0.00 N ATOM 608 CA ASP A 41 -2.998 16.603 3.217 1.00 0.00 C ATOM 609 C ASP A 41 -4.042 15.683 2.592 1.00 0.00 C ATOM 610 O ASP A 41 -4.968 16.141 1.924 1.00 0.00 O ATOM 611 CB ASP A 41 -3.686 17.678 4.059 1.00 0.00 C ATOM 612 CG ASP A 41 -4.120 18.872 3.232 1.00 0.00 C ATOM 613 OD1 ASP A 41 -3.280 19.765 2.991 1.00 0.00 O ATOM 614 OD2 ASP A 41 -5.300 18.914 2.824 1.00 0.00 O ATOM 0 H ASP A 41 -2.380 18.201 2.007 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.353 16.006 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.556 17.246 4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.007 18.011 4.844 1.00 0.00 H new ATOM 619 N GLY A 42 -3.884 14.381 2.813 1.00 0.00 N ATOM 620 CA GLY A 42 -4.819 13.417 2.263 1.00 0.00 C ATOM 621 C GLY A 42 -4.123 12.225 1.638 1.00 0.00 C ATOM 622 O GLY A 42 -4.721 11.161 1.480 1.00 0.00 O ATOM 0 H GLY A 42 -3.126 13.977 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.486 13.071 3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.440 13.906 1.512 1.00 0.00 H new ATOM 626 N ALA A 43 -2.855 12.403 1.280 1.00 0.00 N ATOM 627 CA ALA A 43 -2.077 11.333 0.669 1.00 0.00 C ATOM 628 C ALA A 43 -2.211 10.036 1.460 1.00 0.00 C ATOM 629 O ALA A 43 -2.524 10.052 2.650 1.00 0.00 O ATOM 630 CB ALA A 43 -0.615 11.739 0.561 1.00 0.00 C ATOM 0 H ALA A 43 -2.345 13.278 1.403 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.469 11.159 -0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.046 10.930 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.531 12.635 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.219 11.943 1.556 1.00 0.00 H new ATOM 636 N PHE A 44 -1.972 8.913 0.790 1.00 0.00 N ATOM 637 CA PHE A 44 -2.068 7.606 1.431 1.00 0.00 C ATOM 638 C PHE A 44 -1.014 6.651 0.877 1.00 0.00 C ATOM 639 O PHE A 44 -0.222 7.018 0.008 1.00 0.00 O ATOM 640 CB PHE A 44 -3.465 7.016 1.227 1.00 0.00 C ATOM 641 CG PHE A 44 -3.724 6.561 -0.181 1.00 0.00 C ATOM 642 CD1 PHE A 44 -3.794 7.479 -1.217 1.00 0.00 C ATOM 643 CD2 PHE A 44 -3.897 5.217 -0.468 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.033 7.063 -2.514 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.136 4.795 -1.763 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.203 5.720 -2.787 1.00 0.00 C ATOM 0 H PHE A 44 -1.711 8.882 -0.195 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.889 7.738 2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.596 6.171 1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.210 7.763 1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.660 8.530 -1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.845 4.490 0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.087 7.788 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.270 3.744 -1.974 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.388 5.393 -3.800 1.00 0.00 H new ATOM 656 N LEU A 45 -1.010 5.425 1.388 1.00 0.00 N ATOM 657 CA LEU A 45 -0.054 4.415 0.946 1.00 0.00 C ATOM 658 C LEU A 45 -0.408 3.045 1.514 1.00 0.00 C ATOM 659 O LEU A 45 -0.532 2.878 2.728 1.00 0.00 O ATOM 660 CB LEU A 45 1.363 4.806 1.372 1.00 0.00 C ATOM 661 CG LEU A 45 1.813 4.307 2.745 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.300 2.869 2.657 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.902 5.207 3.309 1.00 0.00 C ATOM 0 H LEU A 45 -1.658 5.106 2.109 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.098 4.359 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.062 4.431 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.437 5.893 1.361 1.00 0.00 H new ATOM 0 HG LEU A 45 0.958 4.339 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.616 2.531 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.492 2.232 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.142 2.812 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.210 4.837 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.759 5.208 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.519 6.222 3.410 1.00 0.00 H new ATOM 675 N ILE A 46 -0.567 2.066 0.629 1.00 0.00 N ATOM 676 CA ILE A 46 -0.903 0.710 1.043 1.00 0.00 C ATOM 677 C ILE A 46 0.348 -0.154 1.162 1.00 0.00 C ATOM 678 O ILE A 46 0.983 -0.486 0.161 1.00 0.00 O ATOM 679 CB ILE A 46 -1.880 0.045 0.055 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.212 0.798 0.037 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.095 -1.415 0.424 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.203 0.249 -0.965 1.00 0.00 C ATOM 0 H ILE A 46 -0.468 2.187 -0.379 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.383 0.788 2.019 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.447 0.086 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.655 0.760 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.024 1.848 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.788 -1.871 -0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.142 -1.943 0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.510 -1.479 1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.124 0.831 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.780 0.312 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.421 -0.792 -0.728 1.00 0.00 H new ATOM 694 N ARG A 47 0.695 -0.517 2.393 1.00 0.00 N ATOM 695 CA ARG A 47 1.869 -1.344 2.643 1.00 0.00 C ATOM 696 C ARG A 47 1.474 -2.805 2.838 1.00 0.00 C ATOM 697 O ARG A 47 0.335 -3.110 3.191 1.00 0.00 O ATOM 698 CB ARG A 47 2.621 -0.839 3.876 1.00 0.00 C ATOM 699 CG ARG A 47 1.787 -0.852 5.146 1.00 0.00 C ATOM 700 CD ARG A 47 2.369 0.071 6.205 1.00 0.00 C ATOM 701 NE ARG A 47 3.290 -0.631 7.096 1.00 0.00 N ATOM 702 CZ ARG A 47 4.556 -0.889 6.789 1.00 0.00 C ATOM 703 NH1 ARG A 47 5.050 -0.505 5.619 1.00 0.00 N ATOM 704 NH2 ARG A 47 5.332 -1.532 7.652 1.00 0.00 N ATOM 0 H ARG A 47 0.180 -0.251 3.232 1.00 0.00 H new ATOM 0 HA ARG A 47 2.523 -1.276 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.508 -1.455 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.967 0.178 3.689 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.767 -0.545 4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.734 -1.868 5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.891 0.895 5.720 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.560 0.507 6.791 1.00 0.00 H new ATOM 0 HE ARG A 47 2.941 -0.940 8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.457 -0.010 4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.023 -0.705 5.386 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.956 -1.829 8.553 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.304 -1.729 7.415 1.00 0.00 H new ATOM 718 N LYS A 48 2.424 -3.705 2.605 1.00 0.00 N ATOM 719 CA LYS A 48 2.177 -5.134 2.756 1.00 0.00 C ATOM 720 C LYS A 48 2.661 -5.630 4.114 1.00 0.00 C ATOM 721 O LYS A 48 3.693 -5.185 4.616 1.00 0.00 O ATOM 722 CB LYS A 48 2.875 -5.913 1.638 1.00 0.00 C ATOM 723 CG LYS A 48 2.827 -7.420 1.826 1.00 0.00 C ATOM 724 CD LYS A 48 4.020 -8.101 1.176 1.00 0.00 C ATOM 725 CE LYS A 48 3.669 -9.501 0.698 1.00 0.00 C ATOM 726 NZ LYS A 48 4.886 -10.318 0.435 1.00 0.00 N ATOM 0 H LYS A 48 3.372 -3.470 2.311 1.00 0.00 H new ATOM 0 HA LYS A 48 1.102 -5.300 2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.411 -5.659 0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.916 -5.595 1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.808 -7.654 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.905 -7.812 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.367 -7.504 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.843 -8.154 1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.053 -9.997 1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.072 -9.435 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.605 -11.271 0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.453 -9.866 -0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.452 -10.388 1.305 1.00 0.00 H new ATOM 740 N ARG A 49 1.910 -6.554 4.704 1.00 0.00 N ATOM 741 CA ARG A 49 2.263 -7.111 6.004 1.00 0.00 C ATOM 742 C ARG A 49 3.060 -8.402 5.845 1.00 0.00 C ATOM 743 O ARG A 49 2.489 -9.474 5.651 1.00 0.00 O ATOM 744 CB ARG A 49 1.002 -7.375 6.829 1.00 0.00 C ATOM 745 CG ARG A 49 0.279 -6.110 7.259 1.00 0.00 C ATOM 746 CD ARG A 49 1.083 -5.330 8.287 1.00 0.00 C ATOM 747 NE ARG A 49 1.254 -6.077 9.530 1.00 0.00 N ATOM 748 CZ ARG A 49 2.256 -5.874 10.378 1.00 0.00 C ATOM 749 NH1 ARG A 49 3.171 -4.951 10.119 1.00 0.00 N ATOM 750 NH2 ARG A 49 2.343 -6.594 11.489 1.00 0.00 N ATOM 0 H ARG A 49 1.053 -6.933 4.302 1.00 0.00 H new ATOM 0 HA ARG A 49 2.885 -6.383 6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.319 -7.993 6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.272 -7.948 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.094 -5.482 6.388 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.693 -6.370 7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.061 -5.087 7.873 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.582 -4.385 8.498 1.00 0.00 H new ATOM 0 HE ARG A 49 0.566 -6.794 9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.107 -4.394 9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.939 -4.797 10.772 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.640 -7.304 11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.113 -6.437 12.139 1.00 0.00 H new ATOM 764 N GLU A 50 4.382 -8.289 5.928 1.00 0.00 N ATOM 765 CA GLU A 50 5.257 -9.448 5.791 1.00 0.00 C ATOM 766 C GLU A 50 4.662 -10.665 6.495 1.00 0.00 C ATOM 767 O GLU A 50 4.577 -11.748 5.918 1.00 0.00 O ATOM 768 CB GLU A 50 6.642 -9.140 6.365 1.00 0.00 C ATOM 769 CG GLU A 50 6.611 -8.669 7.810 1.00 0.00 C ATOM 770 CD GLU A 50 7.880 -7.945 8.214 1.00 0.00 C ATOM 771 OE1 GLU A 50 8.978 -8.486 7.966 1.00 0.00 O ATOM 772 OE2 GLU A 50 7.775 -6.835 8.778 1.00 0.00 O ATOM 0 H GLU A 50 4.870 -7.408 6.089 1.00 0.00 H new ATOM 0 HA GLU A 50 5.354 -9.675 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.262 -10.034 6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.118 -8.374 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.757 -8.007 7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.463 -9.527 8.465 1.00 0.00 H new ATOM 779 N GLY A 51 4.252 -10.476 7.745 1.00 0.00 N ATOM 780 CA GLY A 51 3.671 -11.566 8.507 1.00 0.00 C ATOM 781 C GLY A 51 2.233 -11.845 8.116 1.00 0.00 C ATOM 782 O GLY A 51 1.972 -12.538 7.132 1.00 0.00 O ATOM 0 H GLY A 51 4.312 -9.588 8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.266 -12.467 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.715 -11.327 9.569 1.00 0.00 H new ATOM 786 N THR A 52 1.295 -11.306 8.889 1.00 0.00 N ATOM 787 CA THR A 52 -0.124 -11.503 8.621 1.00 0.00 C ATOM 788 C THR A 52 -0.421 -11.392 7.130 1.00 0.00 C ATOM 789 O THR A 52 0.299 -10.719 6.392 1.00 0.00 O ATOM 790 CB THR A 52 -0.987 -10.479 9.382 1.00 0.00 C ATOM 791 OG1 THR A 52 -2.369 -10.668 9.059 1.00 0.00 O ATOM 792 CG2 THR A 52 -0.570 -9.057 9.039 1.00 0.00 C ATOM 0 H THR A 52 1.493 -10.729 9.706 1.00 0.00 H new ATOM 0 HA THR A 52 -0.375 -12.506 8.966 1.00 0.00 H new ATOM 0 HB THR A 52 -0.839 -10.635 10.451 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.754 -9.818 8.760 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.194 -8.352 9.589 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.474 -8.908 9.313 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.691 -8.890 7.969 1.00 0.00 H new ATOM 800 N ASP A 53 -1.486 -12.055 6.693 1.00 0.00 N ATOM 801 CA ASP A 53 -1.880 -12.029 5.289 1.00 0.00 C ATOM 802 C ASP A 53 -2.849 -10.882 5.018 1.00 0.00 C ATOM 803 O ASP A 53 -3.670 -10.954 4.103 1.00 0.00 O ATOM 804 CB ASP A 53 -2.522 -13.360 4.893 1.00 0.00 C ATOM 805 CG ASP A 53 -1.668 -14.552 5.278 1.00 0.00 C ATOM 806 OD1 ASP A 53 -0.431 -14.397 5.350 1.00 0.00 O ATOM 807 OD2 ASP A 53 -2.237 -15.639 5.509 1.00 0.00 O ATOM 0 H ASP A 53 -2.092 -12.617 7.291 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.984 -11.874 4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.498 -13.446 5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.693 -13.372 3.817 1.00 0.00 H new ATOM 812 N SER A 54 -2.747 -9.827 5.819 1.00 0.00 N ATOM 813 CA SER A 54 -3.618 -8.666 5.668 1.00 0.00 C ATOM 814 C SER A 54 -2.831 -7.458 5.170 1.00 0.00 C ATOM 815 O SER A 54 -1.616 -7.530 4.979 1.00 0.00 O ATOM 816 CB SER A 54 -4.296 -8.334 6.999 1.00 0.00 C ATOM 817 OG SER A 54 -3.360 -8.338 8.063 1.00 0.00 O ATOM 0 H SER A 54 -2.071 -9.751 6.579 1.00 0.00 H new ATOM 0 HA SER A 54 -4.382 -8.909 4.930 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.773 -7.356 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.084 -9.060 7.201 1.00 0.00 H new ATOM 0 HG SER A 54 -3.818 -8.122 8.902 1.00 0.00 H new ATOM 823 N TYR A 55 -3.531 -6.349 4.962 1.00 0.00 N ATOM 824 CA TYR A 55 -2.900 -5.125 4.484 1.00 0.00 C ATOM 825 C TYR A 55 -3.329 -3.926 5.324 1.00 0.00 C ATOM 826 O TYR A 55 -4.447 -3.881 5.836 1.00 0.00 O ATOM 827 CB TYR A 55 -3.253 -4.884 3.015 1.00 0.00 C ATOM 828 CG TYR A 55 -2.668 -5.914 2.075 1.00 0.00 C ATOM 829 CD1 TYR A 55 -1.368 -5.792 1.601 1.00 0.00 C ATOM 830 CD2 TYR A 55 -3.416 -7.009 1.660 1.00 0.00 C ATOM 831 CE1 TYR A 55 -0.829 -6.730 0.742 1.00 0.00 C ATOM 832 CE2 TYR A 55 -2.886 -7.952 0.802 1.00 0.00 C ATOM 833 CZ TYR A 55 -1.592 -7.809 0.346 1.00 0.00 C ATOM 834 OH TYR A 55 -1.061 -8.746 -0.510 1.00 0.00 O ATOM 0 H TYR A 55 -4.536 -6.272 5.117 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.820 -5.244 4.577 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.338 -4.880 2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.900 -3.895 2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.768 -4.949 1.910 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.430 -7.124 2.015 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.183 -6.619 0.383 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.481 -8.797 0.490 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.728 -9.441 -0.688 1.00 0.00 H new ATOM 844 N ALA A 56 -2.431 -2.956 5.462 1.00 0.00 N ATOM 845 CA ALA A 56 -2.716 -1.755 6.238 1.00 0.00 C ATOM 846 C ALA A 56 -2.512 -0.499 5.399 1.00 0.00 C ATOM 847 O ALA A 56 -1.429 -0.269 4.861 1.00 0.00 O ATOM 848 CB ALA A 56 -1.840 -1.710 7.481 1.00 0.00 C ATOM 0 H ALA A 56 -1.500 -2.978 5.046 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.761 -1.790 6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.063 -0.808 8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.038 -2.587 8.097 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.791 -1.703 7.186 1.00 0.00 H new ATOM 854 N ILE A 57 -3.560 0.311 5.290 1.00 0.00 N ATOM 855 CA ILE A 57 -3.496 1.544 4.517 1.00 0.00 C ATOM 856 C ILE A 57 -3.204 2.742 5.415 1.00 0.00 C ATOM 857 O ILE A 57 -3.864 2.943 6.435 1.00 0.00 O ATOM 858 CB ILE A 57 -4.808 1.799 3.751 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.756 3.154 3.043 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.995 1.735 4.700 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.957 3.422 2.164 1.00 0.00 C ATOM 0 H ILE A 57 -4.464 0.135 5.728 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.684 1.424 3.800 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.929 1.022 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.680 3.943 3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.853 3.203 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.915 1.917 4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.039 0.749 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.883 2.493 5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.853 4.400 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.023 2.654 1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.863 3.406 2.770 1.00 0.00 H new ATOM 873 N THR A 58 -2.211 3.537 5.028 1.00 0.00 N ATOM 874 CA THR A 58 -1.831 4.715 5.797 1.00 0.00 C ATOM 875 C THR A 58 -2.225 5.996 5.070 1.00 0.00 C ATOM 876 O THR A 58 -2.353 6.013 3.845 1.00 0.00 O ATOM 877 CB THR A 58 -0.317 4.741 6.075 1.00 0.00 C ATOM 878 OG1 THR A 58 0.115 3.462 6.553 1.00 0.00 O ATOM 879 CG2 THR A 58 0.028 5.813 7.098 1.00 0.00 C ATOM 0 H THR A 58 -1.655 3.386 4.186 1.00 0.00 H new ATOM 0 HA THR A 58 -2.365 4.659 6.745 1.00 0.00 H new ATOM 0 HB THR A 58 0.197 4.973 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.035 3.434 7.529 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.103 5.812 7.278 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.275 6.789 6.719 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.496 5.607 8.031 1.00 0.00 H new ATOM 887 N PHE A 59 -2.415 7.069 5.831 1.00 0.00 N ATOM 888 CA PHE A 59 -2.794 8.355 5.259 1.00 0.00 C ATOM 889 C PHE A 59 -2.376 9.502 6.175 1.00 0.00 C ATOM 890 O PHE A 59 -1.925 9.280 7.298 1.00 0.00 O ATOM 891 CB PHE A 59 -4.304 8.404 5.017 1.00 0.00 C ATOM 892 CG PHE A 59 -5.093 7.564 5.980 1.00 0.00 C ATOM 893 CD1 PHE A 59 -5.132 6.186 5.847 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.796 8.153 7.019 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.858 5.411 6.732 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.523 7.383 7.907 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.553 6.010 7.764 1.00 0.00 C ATOM 0 H PHE A 59 -2.313 7.073 6.846 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.277 8.468 4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.642 9.438 5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.512 8.070 4.001 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.589 5.712 5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.775 9.226 7.136 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.882 4.337 6.616 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.067 7.855 8.712 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.119 5.406 8.458 1.00 0.00 H new ATOM 907 N ARG A 60 -2.530 10.728 5.685 1.00 0.00 N ATOM 908 CA ARG A 60 -2.167 11.910 6.457 1.00 0.00 C ATOM 909 C ARG A 60 -3.400 12.539 7.099 1.00 0.00 C ATOM 910 O ARG A 60 -4.318 12.976 6.406 1.00 0.00 O ATOM 911 CB ARG A 60 -1.465 12.934 5.563 1.00 0.00 C ATOM 912 CG ARG A 60 -0.549 13.879 6.323 1.00 0.00 C ATOM 913 CD ARG A 60 0.364 14.648 5.380 1.00 0.00 C ATOM 914 NE ARG A 60 0.931 15.835 6.014 1.00 0.00 N ATOM 915 CZ ARG A 60 0.206 16.880 6.398 1.00 0.00 C ATOM 916 NH1 ARG A 60 -1.106 16.885 6.212 1.00 0.00 N ATOM 917 NH2 ARG A 60 0.795 17.924 6.968 1.00 0.00 N ATOM 0 H ARG A 60 -2.904 10.928 4.757 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.484 11.601 7.248 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.883 12.406 4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.218 13.518 5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.149 14.580 6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.053 13.312 7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.171 13.996 5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.197 14.944 4.493 1.00 0.00 H new ATOM 0 HE ARG A 60 1.939 15.863 6.171 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.562 16.085 5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.660 17.689 6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.805 17.924 7.111 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.238 18.726 7.263 1.00 0.00 H new ATOM 931 N ALA A 61 -3.413 12.582 8.427 1.00 0.00 N ATOM 932 CA ALA A 61 -4.532 13.159 9.163 1.00 0.00 C ATOM 933 C ALA A 61 -4.106 14.416 9.913 1.00 0.00 C ATOM 934 O ALA A 61 -3.565 14.339 11.016 1.00 0.00 O ATOM 935 CB ALA A 61 -5.111 12.137 10.129 1.00 0.00 C ATOM 0 H ALA A 61 -2.661 12.224 9.016 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.301 13.440 8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.945 12.581 10.672 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.462 11.268 9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.341 11.828 10.836 1.00 0.00 H new ATOM 941 N ARG A 62 -4.352 15.573 9.306 1.00 0.00 N ATOM 942 CA ARG A 62 -3.992 16.847 9.917 1.00 0.00 C ATOM 943 C ARG A 62 -2.568 16.805 10.464 1.00 0.00 C ATOM 944 O ARG A 62 -2.335 17.083 11.639 1.00 0.00 O ATOM 945 CB ARG A 62 -4.971 17.194 11.040 1.00 0.00 C ATOM 946 CG ARG A 62 -5.166 18.688 11.238 1.00 0.00 C ATOM 947 CD ARG A 62 -3.928 19.338 11.834 1.00 0.00 C ATOM 948 NE ARG A 62 -4.065 20.789 11.934 1.00 0.00 N ATOM 949 CZ ARG A 62 -3.356 21.538 12.772 1.00 0.00 C ATOM 950 NH1 ARG A 62 -2.466 20.976 13.577 1.00 0.00 N ATOM 951 NH2 ARG A 62 -3.538 22.852 12.804 1.00 0.00 N ATOM 0 H ARG A 62 -4.799 15.654 8.393 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.045 17.617 9.148 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.936 16.736 10.824 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.612 16.756 11.972 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.399 19.155 10.281 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.020 18.861 11.893 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.742 18.923 12.824 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.061 19.097 11.219 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.742 21.252 11.328 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.324 19.966 13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.923 21.553 14.219 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.222 23.287 12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.994 23.427 13.447 1.00 0.00 H new ATOM 965 N GLY A 63 -1.618 16.454 9.602 1.00 0.00 N ATOM 966 CA GLY A 63 -0.230 16.381 10.017 1.00 0.00 C ATOM 967 C GLY A 63 0.148 15.009 10.540 1.00 0.00 C ATOM 968 O GLY A 63 1.221 14.491 10.229 1.00 0.00 O ATOM 0 H GLY A 63 -1.786 16.219 8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.412 16.634 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.046 17.125 10.792 1.00 0.00 H new ATOM 972 N LYS A 64 -0.735 14.418 11.338 1.00 0.00 N ATOM 973 CA LYS A 64 -0.490 13.098 11.906 1.00 0.00 C ATOM 974 C LYS A 64 -0.645 12.012 10.846 1.00 0.00 C ATOM 975 O LYS A 64 -1.024 12.291 9.708 1.00 0.00 O ATOM 976 CB LYS A 64 -1.452 12.833 13.066 1.00 0.00 C ATOM 977 CG LYS A 64 -1.034 13.496 14.367 1.00 0.00 C ATOM 978 CD LYS A 64 -2.080 13.305 15.452 1.00 0.00 C ATOM 979 CE LYS A 64 -3.278 14.217 15.238 1.00 0.00 C ATOM 980 NZ LYS A 64 -4.010 14.479 16.508 1.00 0.00 N ATOM 0 H LYS A 64 -1.627 14.833 11.606 1.00 0.00 H new ATOM 0 HA LYS A 64 0.534 13.075 12.278 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.446 13.187 12.791 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.529 11.757 13.225 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.083 13.079 14.700 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.874 14.561 14.198 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.410 12.266 15.462 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.636 13.508 16.427 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.943 15.162 14.810 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.956 13.763 14.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.819 15.104 16.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.352 13.580 16.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.371 14.936 17.189 1.00 0.00 H new ATOM 994 N VAL A 65 -0.350 10.773 11.226 1.00 0.00 N ATOM 995 CA VAL A 65 -0.459 9.645 10.309 1.00 0.00 C ATOM 996 C VAL A 65 -1.219 8.489 10.948 1.00 0.00 C ATOM 997 O VAL A 65 -0.761 7.893 11.923 1.00 0.00 O ATOM 998 CB VAL A 65 0.929 9.149 9.863 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.795 7.961 8.922 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.712 10.275 9.205 1.00 0.00 C ATOM 0 H VAL A 65 -0.033 10.525 12.163 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.008 9.998 9.436 1.00 0.00 H new ATOM 0 HB VAL A 65 1.479 8.823 10.746 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.786 7.624 8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.277 7.149 9.432 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.226 8.257 8.041 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.690 9.906 8.896 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.168 10.635 8.332 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.840 11.092 9.915 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.385 8.175 10.392 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.210 7.088 10.905 1.00 0.00 C ATOM 1012 C LYS A 66 -3.114 5.861 10.005 1.00 0.00 C ATOM 1013 O LYS A 66 -2.585 5.932 8.895 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.668 7.538 11.020 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.876 8.688 11.989 1.00 0.00 C ATOM 1016 CD LYS A 66 -6.314 8.756 12.474 1.00 0.00 C ATOM 1017 CE LYS A 66 -6.467 9.730 13.633 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.626 11.133 13.161 1.00 0.00 N ATOM 0 H LYS A 66 -2.780 8.659 9.585 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.840 6.820 11.895 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.026 7.835 10.034 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.276 6.691 11.338 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.208 8.571 12.843 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.610 9.627 11.503 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.962 9.062 11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.641 7.764 12.786 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.333 9.448 14.232 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.594 9.662 14.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.247 11.651 13.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.695 11.596 13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.047 11.134 12.210 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.631 4.736 10.489 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.605 3.492 9.727 1.00 0.00 C ATOM 1034 C HIS A 67 -4.928 2.744 9.863 1.00 0.00 C ATOM 1035 O HIS A 67 -5.562 2.772 10.919 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.453 2.604 10.197 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.181 3.355 10.446 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -0.138 3.389 9.545 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -0.788 4.105 11.502 1.00 0.00 C ATOM 1040 CE1 HIS A 67 0.842 4.125 10.036 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.473 4.572 11.223 1.00 0.00 N ATOM 0 H HIS A 67 -4.073 4.660 11.405 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.455 3.742 8.677 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.749 2.093 11.113 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.270 1.834 9.448 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.360 4.300 12.397 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.785 4.327 9.550 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.033 5.167 11.833 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.339 2.079 8.789 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.587 1.324 8.789 1.00 0.00 C ATOM 1052 C CYS A 68 -6.344 -0.130 8.398 1.00 0.00 C ATOM 1053 O CYS A 68 -5.754 -0.412 7.354 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.592 1.962 7.828 1.00 0.00 C ATOM 1055 SG CYS A 68 -9.307 1.473 8.122 1.00 0.00 S ATOM 0 H CYS A 68 -4.827 2.047 7.908 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.996 1.345 9.799 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.516 3.046 7.907 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.320 1.697 6.806 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.081 2.066 7.262 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.800 -1.048 9.243 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.629 -2.474 8.988 1.00 0.00 C ATOM 1063 C ARG A 69 -7.547 -2.938 7.861 1.00 0.00 C ATOM 1064 O ARG A 69 -8.697 -2.509 7.768 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.914 -3.279 10.257 1.00 0.00 C ATOM 1066 CG ARG A 69 -6.428 -4.717 10.187 1.00 0.00 C ATOM 1067 CD ARG A 69 -4.940 -4.817 10.482 1.00 0.00 C ATOM 1068 NE ARG A 69 -4.614 -4.335 11.822 1.00 0.00 N ATOM 1069 CZ ARG A 69 -4.278 -3.078 12.089 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -4.225 -2.181 11.113 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -3.995 -2.715 13.333 1.00 0.00 N ATOM 0 H ARG A 69 -7.291 -0.831 10.110 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.596 -2.642 8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.440 -2.785 11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.988 -3.276 10.446 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.983 -5.325 10.901 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.632 -5.123 9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.619 -5.854 10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.384 -4.239 9.744 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.646 -5.000 12.595 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.443 -2.456 10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.967 -1.216 11.320 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.035 -3.402 14.086 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.737 -1.749 13.536 1.00 0.00 H new ATOM 1085 N ILE A 70 -7.030 -3.816 7.007 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.803 -4.338 5.888 1.00 0.00 C ATOM 1087 C ILE A 70 -7.852 -5.862 5.916 1.00 0.00 C ATOM 1088 O ILE A 70 -6.865 -6.518 6.248 1.00 0.00 O ATOM 1089 CB ILE A 70 -7.220 -3.879 4.538 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -7.243 -2.352 4.440 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.997 -4.501 3.387 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -6.392 -1.806 3.316 1.00 0.00 C ATOM 0 H ILE A 70 -6.079 -4.180 7.069 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.814 -3.943 5.992 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.184 -4.212 4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.272 -2.020 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.898 -1.930 5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.573 -4.167 2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.934 -5.587 3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.041 -4.194 3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.456 -0.718 3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.355 -2.107 3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.750 -2.199 2.364 1.00 0.00 H new ATOM 1104 N ASN A 71 -9.006 -6.419 5.564 1.00 0.00 N ATOM 1105 CA ASN A 71 -9.183 -7.866 5.548 1.00 0.00 C ATOM 1106 C ASN A 71 -9.589 -8.349 4.159 1.00 0.00 C ATOM 1107 O ASN A 71 -10.058 -7.567 3.332 1.00 0.00 O ATOM 1108 CB ASN A 71 -10.238 -8.283 6.574 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.808 -7.988 7.998 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -10.243 -7.005 8.599 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -8.950 -8.840 8.546 1.00 0.00 N ATOM 0 H ASN A 71 -9.833 -5.890 5.286 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.230 -8.327 5.809 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.172 -7.761 6.364 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.439 -9.349 6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.625 -8.693 9.502 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.615 -9.642 8.011 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.407 -9.642 3.911 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.754 -10.229 2.623 1.00 0.00 C ATOM 1120 C ARG A 72 -10.848 -11.281 2.782 1.00 0.00 C ATOM 1121 O ARG A 72 -10.724 -12.203 3.589 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.518 -10.857 1.975 1.00 0.00 C ATOM 1123 CG ARG A 72 -8.686 -11.140 0.491 1.00 0.00 C ATOM 1124 CD ARG A 72 -7.346 -11.387 -0.184 1.00 0.00 C ATOM 1125 NE ARG A 72 -7.487 -12.159 -1.415 1.00 0.00 N ATOM 1126 CZ ARG A 72 -6.480 -12.797 -2.002 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -5.266 -12.755 -1.472 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -6.688 -13.479 -3.121 1.00 0.00 N ATOM 0 H ARG A 72 -9.021 -10.303 4.585 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.129 -9.434 1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.667 -10.191 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.282 -11.789 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.329 -12.010 0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.186 -10.297 0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.871 -10.432 -0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.687 -11.917 0.503 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.409 -12.212 -1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.103 -12.232 -0.612 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.495 -13.246 -1.925 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.621 -13.514 -3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.915 -13.969 -3.571 1.00 0.00 H new ATOM 1142 N ASP A 73 -11.917 -11.136 2.008 1.00 0.00 N ATOM 1143 CA ASP A 73 -13.033 -12.074 2.062 1.00 0.00 C ATOM 1144 C ASP A 73 -13.077 -12.940 0.806 1.00 0.00 C ATOM 1145 O ASP A 73 -13.629 -12.540 -0.217 1.00 0.00 O ATOM 1146 CB ASP A 73 -14.354 -11.319 2.222 1.00 0.00 C ATOM 1147 CG ASP A 73 -15.543 -12.252 2.337 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -15.588 -13.251 1.589 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -16.430 -11.983 3.174 1.00 0.00 O ATOM 0 H ASP A 73 -12.035 -10.378 1.336 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.888 -12.724 2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.304 -10.688 3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.497 -10.657 1.368 1.00 0.00 H new ATOM 1154 N GLY A 74 -12.488 -14.129 0.893 1.00 0.00 N ATOM 1155 CA GLY A 74 -12.470 -15.032 -0.243 1.00 0.00 C ATOM 1156 C GLY A 74 -11.749 -14.444 -1.439 1.00 0.00 C ATOM 1157 O GLY A 74 -10.522 -14.505 -1.524 1.00 0.00 O ATOM 0 H GLY A 74 -12.023 -14.483 1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.987 -15.965 0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.494 -15.277 -0.524 1.00 0.00 H new ATOM 1161 N ARG A 75 -12.511 -13.876 -2.367 1.00 0.00 N ATOM 1162 CA ARG A 75 -11.937 -13.278 -3.567 1.00 0.00 C ATOM 1163 C ARG A 75 -12.228 -11.781 -3.620 1.00 0.00 C ATOM 1164 O ARG A 75 -12.276 -11.185 -4.697 1.00 0.00 O ATOM 1165 CB ARG A 75 -12.491 -13.961 -4.818 1.00 0.00 C ATOM 1166 CG ARG A 75 -14.000 -13.849 -4.956 1.00 0.00 C ATOM 1167 CD ARG A 75 -14.467 -14.275 -6.339 1.00 0.00 C ATOM 1168 NE ARG A 75 -14.752 -15.706 -6.404 1.00 0.00 N ATOM 1169 CZ ARG A 75 -15.217 -16.314 -7.490 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -15.449 -15.619 -8.595 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -15.451 -17.620 -7.471 1.00 0.00 N ATOM 0 H ARG A 75 -13.528 -13.817 -2.311 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.857 -13.420 -3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.021 -13.524 -5.699 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.214 -15.015 -4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.482 -14.470 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.308 -12.821 -4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.362 -13.715 -6.608 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.702 -14.024 -7.073 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.585 -16.269 -5.570 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.270 -14.615 -8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.806 -16.088 -9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.274 -18.158 -6.622 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.808 -18.086 -8.305 1.00 0.00 H new ATOM 1185 N HIS A 76 -12.423 -11.179 -2.451 1.00 0.00 N ATOM 1186 CA HIS A 76 -12.710 -9.751 -2.365 1.00 0.00 C ATOM 1187 C HIS A 76 -11.954 -9.115 -1.202 1.00 0.00 C ATOM 1188 O HIS A 76 -11.500 -9.807 -0.290 1.00 0.00 O ATOM 1189 CB HIS A 76 -14.212 -9.520 -2.199 1.00 0.00 C ATOM 1190 CG HIS A 76 -15.011 -9.883 -3.413 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -14.711 -9.794 -4.730 1.00 0.00 N flip ATOM 1192 CD2 HIS A 76 -16.285 -10.406 -3.346 1.00 0.00 C flip ATOM 1193 CE1 HIS A 76 -15.797 -10.261 -5.428 1.00 0.00 C flip ATOM 1194 NE2 HIS A 76 -16.733 -10.624 -4.570 1.00 0.00 N flip ATOM 0 H HIS A 76 -12.388 -11.657 -1.551 1.00 0.00 H new ATOM 0 HA HIS A 76 -12.379 -9.282 -3.292 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.570 -10.104 -1.351 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -14.386 -8.471 -1.960 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -16.831 -10.606 -2.436 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.873 -10.322 -6.504 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.647 -11.008 -4.811 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.823 -7.793 -1.241 1.00 0.00 N ATOM 1204 CA PHE A 77 -11.120 -7.064 -0.191 1.00 0.00 C ATOM 1205 C PHE A 77 -12.096 -6.243 0.647 1.00 0.00 C ATOM 1206 O PHE A 77 -12.806 -5.382 0.128 1.00 0.00 O ATOM 1207 CB PHE A 77 -10.058 -6.146 -0.801 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.766 -6.847 -1.109 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -7.914 -7.237 -0.088 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -8.404 -7.116 -2.419 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -6.724 -7.882 -0.369 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -7.215 -7.761 -2.706 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.375 -8.145 -1.679 1.00 0.00 C ATOM 0 H PHE A 77 -12.194 -7.205 -1.987 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.632 -7.791 0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.452 -5.707 -1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.861 -5.324 -0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -8.183 -7.035 0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -9.058 -6.818 -3.225 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.068 -8.180 0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.944 -7.964 -3.731 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.446 -8.650 -1.900 1.00 0.00 H new ATOM 1223 N VAL A 78 -12.126 -6.518 1.948 1.00 0.00 N ATOM 1224 CA VAL A 78 -13.014 -5.806 2.859 1.00 0.00 C ATOM 1225 C VAL A 78 -12.250 -4.763 3.667 1.00 0.00 C ATOM 1226 O VAL A 78 -11.138 -5.015 4.134 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.718 -6.774 3.827 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -14.605 -6.009 4.798 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -14.525 -7.806 3.055 1.00 0.00 C ATOM 0 H VAL A 78 -11.546 -7.228 2.394 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.765 -5.308 2.245 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.957 -7.299 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.094 -6.710 5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.997 -5.313 5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.361 -5.455 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.016 -8.482 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.278 -7.301 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.860 -8.376 2.406 1.00 0.00 H new ATOM 1239 N LEU A 79 -12.853 -3.590 3.830 1.00 0.00 N ATOM 1240 CA LEU A 79 -12.230 -2.507 4.583 1.00 0.00 C ATOM 1241 C LEU A 79 -13.221 -1.884 5.561 1.00 0.00 C ATOM 1242 O LEU A 79 -14.424 -1.855 5.308 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.697 -1.437 3.628 1.00 0.00 C ATOM 1244 CG LEU A 79 -11.293 -0.108 4.268 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -9.833 -0.141 4.692 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -11.546 1.045 3.307 1.00 0.00 C ATOM 0 H LEU A 79 -13.773 -3.365 3.451 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.399 -2.924 5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.831 -1.844 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.460 -1.238 2.875 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.904 0.046 5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.564 0.813 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.682 -0.942 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.205 -0.318 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.253 1.983 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.961 0.897 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.606 1.082 3.054 1.00 0.00 H new ATOM 1258 N GLY A 80 -12.705 -1.384 6.680 1.00 0.00 N ATOM 1259 CA GLY A 80 -13.558 -0.766 7.678 1.00 0.00 C ATOM 1260 C GLY A 80 -14.767 -1.616 8.013 1.00 0.00 C ATOM 1261 O GLY A 80 -14.688 -2.524 8.841 1.00 0.00 O ATOM 0 H GLY A 80 -11.712 -1.396 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.980 -0.588 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.891 0.207 7.315 1.00 0.00 H new ATOM 1265 N THR A 81 -15.893 -1.320 7.371 1.00 0.00 N ATOM 1266 CA THR A 81 -17.126 -2.061 7.607 1.00 0.00 C ATOM 1267 C THR A 81 -18.143 -1.802 6.502 1.00 0.00 C ATOM 1268 O THR A 81 -18.338 -0.663 6.079 1.00 0.00 O ATOM 1269 CB THR A 81 -17.753 -1.690 8.964 1.00 0.00 C ATOM 1270 OG1 THR A 81 -16.811 -1.917 10.018 1.00 0.00 O ATOM 1271 CG2 THR A 81 -19.013 -2.503 9.218 1.00 0.00 C ATOM 0 H THR A 81 -15.976 -0.572 6.683 1.00 0.00 H new ATOM 0 HA THR A 81 -16.863 -3.119 7.614 1.00 0.00 H new ATOM 0 HB THR A 81 -18.021 -0.634 8.939 1.00 0.00 H new ATOM 0 HG1 THR A 81 -16.099 -2.509 9.698 1.00 0.00 H new ATOM 0 HG21 THR A 81 -19.438 -2.224 10.182 1.00 0.00 H new ATOM 0 HG22 THR A 81 -19.739 -2.304 8.430 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.766 -3.565 9.224 1.00 0.00 H new ATOM 1279 N SER A 82 -18.790 -2.867 6.038 1.00 0.00 N ATOM 1280 CA SER A 82 -19.786 -2.755 4.979 1.00 0.00 C ATOM 1281 C SER A 82 -19.183 -2.114 3.732 1.00 0.00 C ATOM 1282 O SER A 82 -19.799 -1.252 3.105 1.00 0.00 O ATOM 1283 CB SER A 82 -20.983 -1.934 5.461 1.00 0.00 C ATOM 1284 OG SER A 82 -21.734 -2.647 6.428 1.00 0.00 O ATOM 0 H SER A 82 -18.642 -3.817 6.379 1.00 0.00 H new ATOM 0 HA SER A 82 -20.123 -3.759 4.723 1.00 0.00 H new ATOM 0 HB2 SER A 82 -20.635 -0.993 5.888 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.621 -1.683 4.613 1.00 0.00 H new ATOM 0 HG SER A 82 -22.492 -2.100 6.721 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.975 -2.541 3.380 1.00 0.00 N ATOM 1291 CA ALA A 83 -17.290 -2.010 2.208 1.00 0.00 C ATOM 1292 C ALA A 83 -16.654 -3.130 1.390 1.00 0.00 C ATOM 1293 O ALA A 83 -15.626 -3.687 1.776 1.00 0.00 O ATOM 1294 CB ALA A 83 -16.236 -0.996 2.627 1.00 0.00 C ATOM 0 H ALA A 83 -17.451 -3.253 3.889 1.00 0.00 H new ATOM 0 HA ALA A 83 -18.029 -1.511 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.732 -0.608 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.713 -0.175 3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.506 -1.478 3.278 1.00 0.00 H new ATOM 1300 N TYR A 84 -17.272 -3.455 0.260 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.768 -4.511 -0.610 1.00 0.00 C ATOM 1302 C TYR A 84 -16.188 -3.927 -1.895 1.00 0.00 C ATOM 1303 O TYR A 84 -16.622 -2.875 -2.364 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.884 -5.501 -0.945 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.993 -6.646 0.036 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -18.405 -6.429 1.345 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -17.683 -7.946 -0.346 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -18.504 -7.472 2.245 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -17.782 -8.996 0.547 1.00 0.00 C ATOM 1310 CZ TYR A 84 -18.192 -8.754 1.842 1.00 0.00 C ATOM 1311 OH TYR A 84 -18.291 -9.796 2.735 1.00 0.00 O ATOM 0 H TYR A 84 -18.123 -3.002 -0.075 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.974 -5.036 -0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.834 -4.968 -0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -17.713 -5.904 -1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -18.652 -5.427 1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -17.359 -8.139 -1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.824 -7.285 3.259 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.540 -10.001 0.233 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.506 -10.377 2.649 1.00 0.00 H new ATOM 1321 N PHE A 85 -15.204 -4.619 -2.460 1.00 0.00 N ATOM 1322 CA PHE A 85 -14.563 -4.171 -3.690 1.00 0.00 C ATOM 1323 C PHE A 85 -13.856 -5.329 -4.388 1.00 0.00 C ATOM 1324 O PHE A 85 -13.000 -5.990 -3.803 1.00 0.00 O ATOM 1325 CB PHE A 85 -13.561 -3.054 -3.391 1.00 0.00 C ATOM 1326 CG PHE A 85 -14.205 -1.783 -2.914 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.441 -1.574 -1.565 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -14.575 -0.798 -3.816 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -15.034 -0.406 -1.123 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -15.167 0.372 -3.380 1.00 0.00 C ATOM 1331 CZ PHE A 85 -15.398 0.568 -2.032 1.00 0.00 C ATOM 0 H PHE A 85 -14.833 -5.492 -2.085 1.00 0.00 H new ATOM 0 HA PHE A 85 -15.337 -3.787 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.857 -3.401 -2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.984 -2.844 -4.291 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -14.158 -2.333 -0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.399 -0.946 -4.871 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.212 -0.255 -0.069 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.449 1.133 -4.093 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.862 1.481 -1.690 1.00 0.00 H new ATOM 1341 N GLU A 86 -14.223 -5.568 -5.644 1.00 0.00 N ATOM 1342 CA GLU A 86 -13.625 -6.647 -6.421 1.00 0.00 C ATOM 1343 C GLU A 86 -12.122 -6.731 -6.170 1.00 0.00 C ATOM 1344 O GLU A 86 -11.562 -7.820 -6.047 1.00 0.00 O ATOM 1345 CB GLU A 86 -13.893 -6.440 -7.913 1.00 0.00 C ATOM 1346 CG GLU A 86 -13.865 -7.726 -8.721 1.00 0.00 C ATOM 1347 CD GLU A 86 -12.477 -8.067 -9.228 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -11.507 -7.901 -8.459 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -12.362 -8.501 -10.393 1.00 0.00 O ATOM 0 H GLU A 86 -14.930 -5.029 -6.144 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.082 -7.584 -6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.866 -5.965 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.149 -5.752 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.234 -8.546 -8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.544 -7.633 -9.568 1.00 0.00 H new ATOM 1356 N SER A 87 -11.475 -5.572 -6.096 1.00 0.00 N ATOM 1357 CA SER A 87 -10.037 -5.513 -5.864 1.00 0.00 C ATOM 1358 C SER A 87 -9.647 -4.196 -5.199 1.00 0.00 C ATOM 1359 O SER A 87 -10.359 -3.197 -5.309 1.00 0.00 O ATOM 1360 CB SER A 87 -9.279 -5.675 -7.183 1.00 0.00 C ATOM 1361 OG SER A 87 -9.779 -4.790 -8.171 1.00 0.00 O ATOM 0 H SER A 87 -11.924 -4.661 -6.193 1.00 0.00 H new ATOM 0 HA SER A 87 -9.768 -6.331 -5.196 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.218 -5.483 -7.022 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.368 -6.703 -7.533 1.00 0.00 H new ATOM 0 HG SER A 87 -9.277 -4.912 -9.004 1.00 0.00 H new ATOM 1367 N LEU A 88 -8.512 -4.203 -4.508 1.00 0.00 N ATOM 1368 CA LEU A 88 -8.026 -3.010 -3.824 1.00 0.00 C ATOM 1369 C LEU A 88 -8.110 -1.788 -4.734 1.00 0.00 C ATOM 1370 O LEU A 88 -8.438 -0.689 -4.287 1.00 0.00 O ATOM 1371 CB LEU A 88 -6.583 -3.217 -3.360 1.00 0.00 C ATOM 1372 CG LEU A 88 -6.378 -4.236 -2.239 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.922 -4.670 -2.172 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.826 -3.657 -0.904 1.00 0.00 C ATOM 0 H LEU A 88 -7.912 -5.021 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.659 -2.836 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.987 -3.527 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.188 -2.257 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.988 -5.113 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.795 -5.395 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.634 -5.125 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.292 -3.802 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.673 -4.396 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.243 -2.763 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.883 -3.397 -0.957 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.813 -1.989 -6.014 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.858 -0.905 -6.988 1.00 0.00 C ATOM 1388 C VAL A 89 -9.201 -0.185 -6.948 1.00 0.00 C ATOM 1389 O VAL A 89 -9.256 1.042 -6.879 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.608 -1.424 -8.417 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.581 -0.269 -9.407 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.312 -2.218 -8.476 1.00 0.00 C ATOM 0 H VAL A 89 -7.539 -2.892 -6.400 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.066 -0.205 -6.720 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.427 -2.088 -8.692 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.403 -0.654 -10.411 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.537 0.253 -9.383 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.783 0.423 -9.137 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.151 -2.577 -9.493 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.480 -1.579 -8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.375 -3.068 -7.797 1.00 0.00 H new ATOM 1402 N GLU A 90 -10.282 -0.958 -6.991 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.626 -0.393 -6.960 1.00 0.00 C ATOM 1404 C GLU A 90 -11.866 0.368 -5.659 1.00 0.00 C ATOM 1405 O GLU A 90 -12.385 1.485 -5.667 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.671 -1.499 -7.118 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.761 -2.056 -8.529 1.00 0.00 C ATOM 1408 CD GLU A 90 -14.123 -2.646 -8.838 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -15.113 -2.209 -8.215 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -14.199 -3.544 -9.701 1.00 0.00 O ATOM 0 H GLU A 90 -10.253 -1.976 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.719 0.306 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.435 -2.311 -6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.647 -1.109 -6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.543 -1.262 -9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.998 -2.823 -8.662 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.485 -0.245 -4.544 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.659 0.373 -3.234 1.00 0.00 C ATOM 1419 C LEU A 91 -11.127 1.803 -3.231 1.00 0.00 C ATOM 1420 O LEU A 91 -11.737 2.703 -2.655 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.946 -0.451 -2.160 1.00 0.00 C ATOM 1422 CG LEU A 91 -10.975 0.124 -0.744 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.915 -0.993 0.287 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -9.826 1.101 -0.541 1.00 0.00 C ATOM 0 H LEU A 91 -11.054 -1.169 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.726 0.401 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.393 -1.445 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.905 -0.577 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.913 0.664 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.937 -0.565 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.771 -1.655 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.994 -1.561 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.863 1.500 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.878 0.585 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.913 1.919 -1.256 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.985 2.004 -3.881 1.00 0.00 N ATOM 1437 CA VAL A 92 -9.371 3.325 -3.957 1.00 0.00 C ATOM 1438 C VAL A 92 -10.177 4.255 -4.856 1.00 0.00 C ATOM 1439 O VAL A 92 -10.762 5.233 -4.390 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.926 3.243 -4.485 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -7.342 4.636 -4.661 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -7.064 2.408 -3.550 1.00 0.00 C ATOM 0 H VAL A 92 -9.466 1.269 -4.362 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.357 3.726 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.941 2.756 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.321 4.558 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.947 5.197 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.339 5.153 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.047 2.361 -3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.054 2.864 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.473 1.400 -3.481 1.00 0.00 H new ATOM 1452 N SER A 93 -10.205 3.942 -6.148 1.00 0.00 N ATOM 1453 CA SER A 93 -10.938 4.752 -7.114 1.00 0.00 C ATOM 1454 C SER A 93 -12.230 5.288 -6.506 1.00 0.00 C ATOM 1455 O SER A 93 -12.569 6.460 -6.674 1.00 0.00 O ATOM 1456 CB SER A 93 -11.252 3.930 -8.366 1.00 0.00 C ATOM 1457 OG SER A 93 -11.946 2.740 -8.033 1.00 0.00 O ATOM 0 H SER A 93 -9.729 3.134 -6.549 1.00 0.00 H new ATOM 0 HA SER A 93 -10.310 5.599 -7.391 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.853 4.525 -9.054 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.326 3.682 -8.884 1.00 0.00 H new ATOM 0 HG SER A 93 -11.790 2.523 -7.090 1.00 0.00 H new ATOM 1463 N TYR A 94 -12.946 4.422 -5.798 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.203 4.806 -5.166 1.00 0.00 C ATOM 1465 C TYR A 94 -13.987 5.940 -4.168 1.00 0.00 C ATOM 1466 O TYR A 94 -14.492 7.048 -4.352 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.831 3.604 -4.459 1.00 0.00 C ATOM 1468 CG TYR A 94 -15.981 3.969 -3.548 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -17.197 4.395 -4.068 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -15.851 3.888 -2.167 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -18.250 4.731 -3.239 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -16.899 4.220 -1.330 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.096 4.642 -1.871 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.143 4.974 -1.042 1.00 0.00 O ATOM 0 H TYR A 94 -12.678 3.450 -5.647 1.00 0.00 H new ATOM 0 HA TYR A 94 -14.880 5.155 -5.946 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -15.183 2.896 -5.209 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -14.064 3.095 -3.875 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -17.321 4.465 -5.139 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -14.915 3.560 -1.740 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.188 5.061 -3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -16.782 4.150 -0.259 1.00 0.00 H new ATOM 0 HH TYR A 94 -18.871 4.856 -0.108 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.232 5.655 -3.113 1.00 0.00 N ATOM 1485 CA TYR A 95 -12.949 6.649 -2.085 1.00 0.00 C ATOM 1486 C TYR A 95 -12.428 7.942 -2.705 1.00 0.00 C ATOM 1487 O TYR A 95 -12.859 9.036 -2.340 1.00 0.00 O ATOM 1488 CB TYR A 95 -11.928 6.103 -1.085 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.513 5.117 -0.100 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -13.585 5.468 0.712 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -11.995 3.833 0.019 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -14.122 4.571 1.614 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -12.527 2.929 0.917 1.00 0.00 C ATOM 1494 CZ TYR A 95 -13.590 3.302 1.712 1.00 0.00 C ATOM 1495 OH TYR A 95 -14.122 2.404 2.609 1.00 0.00 O ATOM 0 H TYR A 95 -12.805 4.744 -2.947 1.00 0.00 H new ATOM 0 HA TYR A 95 -13.880 6.868 -1.562 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.118 5.620 -1.632 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.489 6.936 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -14.005 6.460 0.636 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.162 3.537 -0.602 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -14.954 4.861 2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.113 1.935 0.996 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.787 2.602 3.508 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.499 7.807 -3.647 1.00 0.00 N ATOM 1506 CA GLU A 96 -10.919 8.964 -4.318 1.00 0.00 C ATOM 1507 C GLU A 96 -11.964 10.058 -4.517 1.00 0.00 C ATOM 1508 O GLU A 96 -11.647 11.247 -4.492 1.00 0.00 O ATOM 1509 CB GLU A 96 -10.330 8.554 -5.670 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.183 7.564 -5.559 1.00 0.00 C ATOM 1511 CD GLU A 96 -7.833 8.245 -5.443 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -7.709 9.397 -5.908 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -6.902 7.626 -4.887 1.00 0.00 O ATOM 0 H GLU A 96 -11.133 6.909 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.122 9.357 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.118 8.117 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.980 9.446 -6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.341 6.927 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.184 6.914 -6.434 1.00 0.00 H new ATOM 1520 N LYS A 97 -13.212 9.647 -4.716 1.00 0.00 N ATOM 1521 CA LYS A 97 -14.305 10.590 -4.919 1.00 0.00 C ATOM 1522 C LYS A 97 -15.041 10.860 -3.610 1.00 0.00 C ATOM 1523 O LYS A 97 -15.196 12.010 -3.199 1.00 0.00 O ATOM 1524 CB LYS A 97 -15.284 10.050 -5.964 1.00 0.00 C ATOM 1525 CG LYS A 97 -14.891 10.380 -7.393 1.00 0.00 C ATOM 1526 CD LYS A 97 -15.245 11.814 -7.752 1.00 0.00 C ATOM 1527 CE LYS A 97 -14.468 12.292 -8.968 1.00 0.00 C ATOM 1528 NZ LYS A 97 -15.082 13.504 -9.578 1.00 0.00 N ATOM 0 H LYS A 97 -13.491 8.666 -4.741 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.881 11.528 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.356 8.968 -5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.275 10.457 -5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.820 10.226 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.396 9.698 -8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.314 11.887 -7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.033 12.465 -6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.440 12.512 -8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.427 11.494 -9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.523 13.798 -10.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.054 13.287 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.099 14.274 -8.879 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.491 9.792 -2.958 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.208 9.915 -1.694 1.00 0.00 C ATOM 1544 C HIS A 98 -15.234 9.990 -0.522 1.00 0.00 C ATOM 1545 O HIS A 98 -14.303 9.191 -0.424 1.00 0.00 O ATOM 1546 CB HIS A 98 -17.160 8.733 -1.506 1.00 0.00 C ATOM 1547 CG HIS A 98 -18.466 8.897 -2.221 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -19.223 7.831 -2.658 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -19.149 10.011 -2.572 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -20.315 8.282 -3.249 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -20.295 9.602 -3.209 1.00 0.00 N ATOM 0 H HIS A 98 -15.372 8.833 -3.284 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.788 10.838 -1.722 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.673 7.825 -1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.352 8.597 -0.442 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -18.978 6.848 -2.543 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.849 11.032 -2.386 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -21.092 7.675 -3.690 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.456 10.955 0.365 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.599 11.133 1.531 1.00 0.00 C ATOM 1562 C ALA A 99 -14.374 9.810 2.254 1.00 0.00 C ATOM 1563 O ALA A 99 -15.327 9.138 2.652 1.00 0.00 O ATOM 1564 CB ALA A 99 -15.203 12.159 2.478 1.00 0.00 C ATOM 0 H ALA A 99 -16.222 11.625 0.298 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.631 11.498 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -14.553 12.282 3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.305 13.114 1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.184 11.817 2.807 1.00 0.00 H new ATOM 1570 N LEU A 100 -13.110 9.439 2.421 1.00 0.00 N ATOM 1571 CA LEU A 100 -12.759 8.195 3.097 1.00 0.00 C ATOM 1572 C LEU A 100 -12.717 8.389 4.609 1.00 0.00 C ATOM 1573 O LEU A 100 -13.319 7.622 5.361 1.00 0.00 O ATOM 1574 CB LEU A 100 -11.406 7.685 2.599 1.00 0.00 C ATOM 1575 CG LEU A 100 -10.697 6.673 3.500 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -11.418 5.334 3.470 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -9.244 6.509 3.078 1.00 0.00 C ATOM 0 H LEU A 100 -12.310 9.982 2.097 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.526 7.456 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.550 7.230 1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.746 8.542 2.459 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.717 7.050 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.899 4.627 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.441 5.464 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.431 4.950 2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.755 5.785 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.202 6.156 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.733 7.469 3.153 1.00 0.00 H new ATOM 1589 N TYR A 101 -12.005 9.421 5.048 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.884 9.717 6.470 1.00 0.00 C ATOM 1591 C TYR A 101 -12.769 10.898 6.858 1.00 0.00 C ATOM 1592 O TYR A 101 -13.526 11.417 6.038 1.00 0.00 O ATOM 1593 CB TYR A 101 -10.428 10.017 6.829 1.00 0.00 C ATOM 1594 CG TYR A 101 -10.079 9.697 8.265 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -10.370 8.453 8.810 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.458 10.639 9.075 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -10.054 8.157 10.122 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -9.137 10.351 10.388 1.00 0.00 C ATOM 1599 CZ TYR A 101 -9.437 9.109 10.907 1.00 0.00 C ATOM 1600 OH TYR A 101 -9.119 8.817 12.213 1.00 0.00 O ATOM 0 H TYR A 101 -11.503 10.067 4.439 1.00 0.00 H new ATOM 0 HA TYR A 101 -12.215 8.840 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -9.775 9.445 6.169 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -10.226 11.072 6.641 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -10.851 7.705 8.198 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -9.222 11.613 8.672 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -10.289 7.185 10.531 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.654 11.095 11.004 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.938 7.858 12.299 1.00 0.00 H new ATOM 1610 N ARG A 102 -12.666 11.318 8.115 1.00 0.00 N ATOM 1611 CA ARG A 102 -13.457 12.437 8.614 1.00 0.00 C ATOM 1612 C ARG A 102 -13.600 13.519 7.547 1.00 0.00 C ATOM 1613 O ARG A 102 -14.658 13.668 6.937 1.00 0.00 O ATOM 1614 CB ARG A 102 -12.811 13.026 9.869 1.00 0.00 C ATOM 1615 CG ARG A 102 -13.296 12.386 11.160 1.00 0.00 C ATOM 1616 CD ARG A 102 -12.435 11.194 11.549 1.00 0.00 C ATOM 1617 NE ARG A 102 -13.166 10.238 12.377 1.00 0.00 N ATOM 1618 CZ ARG A 102 -14.161 9.484 11.924 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -14.543 9.574 10.657 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -14.778 8.638 12.739 1.00 0.00 N ATOM 0 H ARG A 102 -12.043 10.900 8.806 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.450 12.065 8.866 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.729 12.910 9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -13.015 14.096 9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.280 13.124 11.962 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.331 12.065 11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.078 10.695 10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.555 11.543 12.089 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.898 10.144 13.357 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.072 10.224 10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.308 8.993 10.312 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.488 8.566 13.714 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.542 8.059 12.390 1.00 0.00 H new ATOM 1634 N LYS A 103 -12.527 14.273 7.329 1.00 0.00 N ATOM 1635 CA LYS A 103 -12.532 15.341 6.336 1.00 0.00 C ATOM 1636 C LYS A 103 -11.329 15.224 5.406 1.00 0.00 C ATOM 1637 O LYS A 103 -10.518 16.144 5.306 1.00 0.00 O ATOM 1638 CB LYS A 103 -12.524 16.706 7.027 1.00 0.00 C ATOM 1639 CG LYS A 103 -13.778 16.984 7.839 1.00 0.00 C ATOM 1640 CD LYS A 103 -14.938 17.399 6.950 1.00 0.00 C ATOM 1641 CE LYS A 103 -14.871 18.878 6.601 1.00 0.00 C ATOM 1642 NZ LYS A 103 -15.686 19.201 5.397 1.00 0.00 N ATOM 0 H LYS A 103 -11.643 14.164 7.827 1.00 0.00 H new ATOM 0 HA LYS A 103 -13.440 15.246 5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -11.656 16.767 7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.409 17.485 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.052 16.093 8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -13.575 17.771 8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.926 16.807 6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.880 17.186 7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.224 19.467 7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.834 19.163 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.614 20.218 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.333 18.658 4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.680 18.953 5.574 1.00 0.00 H new ATOM 1656 N MET A 104 -11.221 14.087 4.726 1.00 0.00 N ATOM 1657 CA MET A 104 -10.118 13.851 3.801 1.00 0.00 C ATOM 1658 C MET A 104 -10.323 12.552 3.030 1.00 0.00 C ATOM 1659 O MET A 104 -11.137 11.712 3.415 1.00 0.00 O ATOM 1660 CB MET A 104 -8.790 13.804 4.560 1.00 0.00 C ATOM 1661 CG MET A 104 -8.591 12.525 5.358 1.00 0.00 C ATOM 1662 SD MET A 104 -6.854 12.072 5.521 1.00 0.00 S ATOM 1663 CE MET A 104 -6.667 10.945 4.141 1.00 0.00 C ATOM 0 H MET A 104 -11.884 13.315 4.798 1.00 0.00 H new ATOM 0 HA MET A 104 -10.092 14.675 3.088 1.00 0.00 H new ATOM 0 HB2 MET A 104 -7.971 13.910 3.849 1.00 0.00 H new ATOM 0 HB3 MET A 104 -8.737 14.657 5.237 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.025 12.649 6.350 1.00 0.00 H new ATOM 0 HG3 MET A 104 -9.131 11.711 4.874 1.00 0.00 H new ATOM 0 HE1 MET A 104 -5.638 10.976 3.783 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.908 9.932 4.463 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.341 11.240 3.336 1.00 0.00 H new ATOM 1673 N ARG A 105 -9.581 12.393 1.939 1.00 0.00 N ATOM 1674 CA ARG A 105 -9.683 11.196 1.113 1.00 0.00 C ATOM 1675 C ARG A 105 -8.377 10.936 0.368 1.00 0.00 C ATOM 1676 O ARG A 105 -7.438 11.730 0.444 1.00 0.00 O ATOM 1677 CB ARG A 105 -10.834 11.337 0.114 1.00 0.00 C ATOM 1678 CG ARG A 105 -10.575 12.369 -0.971 1.00 0.00 C ATOM 1679 CD ARG A 105 -11.857 12.752 -1.693 1.00 0.00 C ATOM 1680 NE ARG A 105 -12.631 13.740 -0.947 1.00 0.00 N ATOM 1681 CZ ARG A 105 -12.295 15.022 -0.857 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -11.203 15.468 -1.463 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -13.050 15.860 -0.159 1.00 0.00 N ATOM 0 H ARG A 105 -8.903 13.078 1.607 1.00 0.00 H new ATOM 0 HA ARG A 105 -9.881 10.348 1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.019 10.370 -0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.741 11.609 0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.126 13.258 -0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -9.857 11.972 -1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -11.613 13.151 -2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.464 11.861 -1.852 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.476 13.429 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.619 14.826 -2.000 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.947 16.453 -1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.890 15.520 0.310 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -12.791 16.844 -0.091 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.325 9.821 -0.352 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.134 9.456 -1.111 1.00 0.00 C ATOM 1699 C LEU A 106 -7.043 10.262 -2.403 1.00 0.00 C ATOM 1700 O LEU A 106 -7.548 9.844 -3.444 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.147 7.960 -1.430 1.00 0.00 C ATOM 1702 CG LEU A 106 -7.680 7.043 -0.328 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -7.741 5.604 -0.815 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -6.814 7.151 0.919 1.00 0.00 C ATOM 0 H LEU A 106 -9.093 9.154 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.260 9.684 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.748 7.805 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.130 7.652 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.691 7.361 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.122 4.966 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.403 5.540 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.742 5.273 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.207 6.492 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.792 6.859 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.822 8.180 1.280 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.393 11.419 -2.328 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.235 12.284 -3.491 1.00 0.00 C ATOM 1718 C ARG A 107 -4.871 12.074 -4.143 1.00 0.00 C ATOM 1719 O ARG A 107 -4.771 11.919 -5.360 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.399 13.750 -3.089 1.00 0.00 C ATOM 1721 CG ARG A 107 -6.281 14.718 -4.255 1.00 0.00 C ATOM 1722 CD ARG A 107 -7.124 15.964 -4.033 1.00 0.00 C ATOM 1723 NE ARG A 107 -6.889 16.975 -5.060 1.00 0.00 N ATOM 1724 CZ ARG A 107 -7.759 17.931 -5.364 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -8.917 18.006 -4.722 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -7.472 18.815 -6.311 1.00 0.00 N ATOM 0 H ARG A 107 -5.967 11.779 -1.474 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.008 12.024 -4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.372 13.881 -2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.645 14.000 -2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.237 15.003 -4.389 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.596 14.223 -5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.179 15.691 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.899 16.384 -3.053 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.008 16.945 -5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.141 17.329 -3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.584 18.741 -4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.582 18.761 -6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.141 19.549 -6.543 1.00 0.00 H new ATOM 1740 N TYR A 108 -3.824 12.070 -3.325 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.467 11.882 -3.822 1.00 0.00 C ATOM 1742 C TYR A 108 -1.863 10.589 -3.283 1.00 0.00 C ATOM 1743 O TYR A 108 -1.411 10.513 -2.140 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.588 13.071 -3.428 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.145 14.407 -3.865 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -1.857 14.923 -5.123 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.959 15.152 -3.022 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -2.363 16.144 -5.526 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.470 16.373 -3.417 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.169 16.865 -4.670 1.00 0.00 C ATOM 1751 OH TYR A 108 -3.676 18.080 -5.069 1.00 0.00 O ATOM 0 H TYR A 108 -3.890 12.195 -2.315 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.512 11.815 -4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.462 13.076 -2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.597 12.940 -3.863 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.227 14.360 -5.797 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.197 14.770 -2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.129 16.532 -6.506 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.102 16.939 -2.749 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.225 18.458 -4.350 1.00 0.00 H new ATOM 1761 N PRO A 109 -1.856 9.545 -4.125 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.310 8.235 -3.757 1.00 0.00 C ATOM 1763 C PRO A 109 0.208 8.258 -3.616 1.00 0.00 C ATOM 1764 O PRO A 109 0.935 8.161 -4.605 1.00 0.00 O ATOM 1765 CB PRO A 109 -1.725 7.337 -4.925 1.00 0.00 C ATOM 1766 CG PRO A 109 -1.884 8.266 -6.079 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.378 9.563 -5.501 1.00 0.00 C ATOM 0 HA PRO A 109 -1.680 7.897 -2.789 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.970 6.578 -5.129 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.655 6.811 -4.709 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -0.937 8.407 -6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.592 7.868 -6.806 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.005 10.420 -6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.466 9.621 -5.517 1.00 0.00 H new ATOM 1775 N VAL A 110 0.681 8.387 -2.381 1.00 0.00 N ATOM 1776 CA VAL A 110 2.114 8.421 -2.111 1.00 0.00 C ATOM 1777 C VAL A 110 2.875 7.508 -3.065 1.00 0.00 C ATOM 1778 O VAL A 110 2.627 6.303 -3.121 1.00 0.00 O ATOM 1779 CB VAL A 110 2.422 8.001 -0.661 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.923 7.968 -0.422 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.738 8.940 0.322 1.00 0.00 C ATOM 0 H VAL A 110 0.093 8.470 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 110 2.440 9.450 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 110 2.031 6.996 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.121 7.669 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.384 7.252 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.342 8.959 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.966 8.629 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 110 2.097 9.957 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.660 8.908 0.166 1.00 0.00 H new ATOM 1791 N THR A 111 3.805 8.090 -3.816 1.00 0.00 N ATOM 1792 CA THR A 111 4.603 7.330 -4.770 1.00 0.00 C ATOM 1793 C THR A 111 6.094 7.524 -4.517 1.00 0.00 C ATOM 1794 O THR A 111 6.524 8.515 -3.928 1.00 0.00 O ATOM 1795 CB THR A 111 4.283 7.736 -6.220 1.00 0.00 C ATOM 1796 OG1 THR A 111 4.033 9.144 -6.291 1.00 0.00 O ATOM 1797 CG2 THR A 111 3.074 6.974 -6.741 1.00 0.00 C ATOM 0 H THR A 111 4.024 9.086 -3.782 1.00 0.00 H new ATOM 0 HA THR A 111 4.347 6.280 -4.630 1.00 0.00 H new ATOM 0 HB THR A 111 5.144 7.489 -6.841 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.832 9.394 -7.217 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.867 7.278 -7.767 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.279 5.904 -6.714 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.208 7.194 -6.116 1.00 0.00 H new ATOM 1805 N PRO A 112 6.903 6.556 -4.973 1.00 0.00 N ATOM 1806 CA PRO A 112 8.359 6.599 -4.809 1.00 0.00 C ATOM 1807 C PRO A 112 9.008 7.680 -5.666 1.00 0.00 C ATOM 1808 O PRO A 112 10.209 7.927 -5.566 1.00 0.00 O ATOM 1809 CB PRO A 112 8.809 5.210 -5.270 1.00 0.00 C ATOM 1810 CG PRO A 112 7.741 4.756 -6.204 1.00 0.00 C ATOM 1811 CD PRO A 112 6.459 5.346 -5.685 1.00 0.00 C ATOM 0 HA PRO A 112 8.646 6.838 -3.785 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.778 5.253 -5.767 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.914 4.528 -4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.942 5.093 -7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.686 3.668 -6.234 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.771 5.587 -6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.940 4.656 -5.020 1.00 0.00 H new ATOM 1819 N GLU A 113 8.204 8.323 -6.508 1.00 0.00 N ATOM 1820 CA GLU A 113 8.702 9.378 -7.383 1.00 0.00 C ATOM 1821 C GLU A 113 8.451 10.754 -6.773 1.00 0.00 C ATOM 1822 O GLU A 113 9.227 11.688 -6.979 1.00 0.00 O ATOM 1823 CB GLU A 113 8.035 9.288 -8.757 1.00 0.00 C ATOM 1824 CG GLU A 113 8.353 8.005 -9.506 1.00 0.00 C ATOM 1825 CD GLU A 113 9.821 7.892 -9.873 1.00 0.00 C ATOM 1826 OE1 GLU A 113 10.460 8.943 -10.087 1.00 0.00 O ATOM 1827 OE2 GLU A 113 10.329 6.754 -9.945 1.00 0.00 O ATOM 0 H GLU A 113 7.207 8.132 -6.602 1.00 0.00 H new ATOM 0 HA GLU A 113 9.777 9.242 -7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 113 6.955 9.368 -8.633 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.350 10.139 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.069 7.150 -8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 113 7.751 7.960 -10.413 1.00 0.00 H new ATOM 1834 N LEU A 114 7.362 10.871 -6.021 1.00 0.00 N ATOM 1835 CA LEU A 114 7.008 12.133 -5.380 1.00 0.00 C ATOM 1836 C LEU A 114 8.016 12.495 -4.295 1.00 0.00 C ATOM 1837 O LEU A 114 8.441 13.646 -4.185 1.00 0.00 O ATOM 1838 CB LEU A 114 5.604 12.045 -4.779 1.00 0.00 C ATOM 1839 CG LEU A 114 4.958 13.374 -4.385 1.00 0.00 C ATOM 1840 CD1 LEU A 114 4.189 13.963 -5.558 1.00 0.00 C ATOM 1841 CD2 LEU A 114 4.042 13.187 -3.185 1.00 0.00 C ATOM 0 H LEU A 114 6.709 10.108 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 114 7.024 12.915 -6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.953 11.547 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.648 11.409 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 114 5.748 14.072 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.736 14.908 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.871 14.135 -6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.408 13.268 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.591 14.143 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.257 12.473 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.620 12.811 -2.341 1.00 0.00 H new ATOM 1853 N LEU A 115 8.398 11.505 -3.495 1.00 0.00 N ATOM 1854 CA LEU A 115 9.359 11.718 -2.419 1.00 0.00 C ATOM 1855 C LEU A 115 10.554 12.530 -2.909 1.00 0.00 C ATOM 1856 O LEU A 115 10.934 13.525 -2.292 1.00 0.00 O ATOM 1857 CB LEU A 115 9.835 10.375 -1.861 1.00 0.00 C ATOM 1858 CG LEU A 115 8.827 9.609 -1.005 1.00 0.00 C ATOM 1859 CD1 LEU A 115 9.538 8.834 0.093 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.801 10.561 -0.408 1.00 0.00 C ATOM 0 H LEU A 115 8.057 10.547 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 115 8.862 12.279 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.128 9.740 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.730 10.549 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 115 8.305 8.897 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.804 8.295 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.233 8.124 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.088 9.527 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.092 9.998 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.308 11.297 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.268 11.071 -1.210 1.00 0.00 H new ATOM 1872 N GLU A 116 11.139 12.100 -4.022 1.00 0.00 N ATOM 1873 CA GLU A 116 12.290 12.789 -4.594 1.00 0.00 C ATOM 1874 C GLU A 116 11.868 14.105 -5.243 1.00 0.00 C ATOM 1875 O GLU A 116 12.349 15.175 -4.869 1.00 0.00 O ATOM 1876 CB GLU A 116 12.984 11.899 -5.627 1.00 0.00 C ATOM 1877 CG GLU A 116 13.586 10.636 -5.035 1.00 0.00 C ATOM 1878 CD GLU A 116 14.920 10.887 -4.358 1.00 0.00 C ATOM 1879 OE1 GLU A 116 14.921 11.399 -3.219 1.00 0.00 O ATOM 1880 OE2 GLU A 116 15.963 10.571 -4.968 1.00 0.00 O ATOM 0 H GLU A 116 10.835 11.279 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 116 12.988 13.008 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.264 11.622 -6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.771 12.472 -6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.890 10.211 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.717 9.896 -5.824 1.00 0.00 H new ATOM 1887 N ARG A 117 10.968 14.017 -6.216 1.00 0.00 N ATOM 1888 CA ARG A 117 10.483 15.199 -6.918 1.00 0.00 C ATOM 1889 C ARG A 117 10.244 16.349 -5.944 1.00 0.00 C ATOM 1890 O ARG A 117 10.503 17.510 -6.263 1.00 0.00 O ATOM 1891 CB ARG A 117 9.191 14.877 -7.670 1.00 0.00 C ATOM 1892 CG ARG A 117 8.572 16.081 -8.361 1.00 0.00 C ATOM 1893 CD ARG A 117 7.774 15.670 -9.589 1.00 0.00 C ATOM 1894 NE ARG A 117 8.594 15.662 -10.797 1.00 0.00 N ATOM 1895 CZ ARG A 117 8.821 16.740 -11.539 1.00 0.00 C ATOM 1896 NH1 ARG A 117 8.292 17.907 -11.198 1.00 0.00 N ATOM 1897 NH2 ARG A 117 9.578 16.652 -12.625 1.00 0.00 N ATOM 0 H ARG A 117 10.560 13.139 -6.537 1.00 0.00 H new ATOM 0 HA ARG A 117 11.246 15.504 -7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.396 14.107 -8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.468 14.459 -6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.922 16.608 -7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.358 16.778 -8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.351 14.678 -9.431 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.937 16.355 -9.724 1.00 0.00 H new ATOM 0 HE ARG A 117 9.016 14.780 -11.087 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.709 17.979 -10.364 1.00 0.00 H new ATOM 0 HH12 ARG A 117 8.468 18.733 -11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.986 15.756 -12.891 1.00 0.00 H new ATOM 0 HH22 ARG A 117 9.752 17.480 -13.194 1.00 0.00 H new ATOM 1911 N TYR A 118 9.748 16.019 -4.757 1.00 0.00 N ATOM 1912 CA TYR A 118 9.471 17.024 -3.738 1.00 0.00 C ATOM 1913 C TYR A 118 10.729 17.350 -2.938 1.00 0.00 C ATOM 1914 O TYR A 118 11.051 18.517 -2.716 1.00 0.00 O ATOM 1915 CB TYR A 118 8.367 16.537 -2.798 1.00 0.00 C ATOM 1916 CG TYR A 118 6.975 16.687 -3.369 1.00 0.00 C ATOM 1917 CD1 TYR A 118 6.735 16.498 -4.724 1.00 0.00 C ATOM 1918 CD2 TYR A 118 5.900 17.019 -2.554 1.00 0.00 C ATOM 1919 CE1 TYR A 118 5.466 16.635 -5.251 1.00 0.00 C ATOM 1920 CE2 TYR A 118 4.627 17.157 -3.071 1.00 0.00 C ATOM 1921 CZ TYR A 118 4.415 16.964 -4.420 1.00 0.00 C ATOM 1922 OH TYR A 118 3.148 17.101 -4.940 1.00 0.00 O ATOM 0 H TYR A 118 9.529 15.063 -4.477 1.00 0.00 H new ATOM 0 HA TYR A 118 9.137 17.932 -4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.541 15.488 -2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.428 17.091 -1.862 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.555 16.239 -5.377 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.063 17.172 -1.497 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.297 16.486 -6.307 1.00 0.00 H new ATOM 0 HE2 TYR A 118 3.802 17.415 -2.423 1.00 0.00 H new ATOM 0 HH TYR A 118 2.523 17.334 -4.222 1.00 0.00 H new ATOM 1932 N SER A 119 11.435 16.309 -2.509 1.00 0.00 N ATOM 1933 CA SER A 119 12.656 16.483 -1.731 1.00 0.00 C ATOM 1934 C SER A 119 13.566 17.526 -2.373 1.00 0.00 C ATOM 1935 O SER A 119 14.118 18.389 -1.692 1.00 0.00 O ATOM 1936 CB SER A 119 13.399 15.151 -1.604 1.00 0.00 C ATOM 1937 OG SER A 119 14.553 15.286 -0.793 1.00 0.00 O ATOM 0 H SER A 119 11.183 15.337 -2.687 1.00 0.00 H new ATOM 0 HA SER A 119 12.377 16.832 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.735 14.400 -1.175 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.686 14.795 -2.594 1.00 0.00 H new ATOM 0 HG SER A 119 15.009 14.421 -0.726 1.00 0.00 H new ATOM 1943 N GLY A 120 13.717 17.439 -3.692 1.00 0.00 N ATOM 1944 CA GLY A 120 14.560 18.380 -4.405 1.00 0.00 C ATOM 1945 C GLY A 120 14.123 19.818 -4.205 1.00 0.00 C ATOM 1946 O GLY A 120 13.030 20.094 -3.710 1.00 0.00 O ATOM 0 H GLY A 120 13.271 16.734 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 120 15.591 18.267 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 120 14.544 18.143 -5.469 1.00 0.00 H new ATOM 1950 N PRO A 121 14.991 20.764 -4.593 1.00 0.00 N ATOM 1951 CA PRO A 121 14.711 22.197 -4.462 1.00 0.00 C ATOM 1952 C PRO A 121 13.622 22.665 -5.420 1.00 0.00 C ATOM 1953 O PRO A 121 13.049 23.741 -5.247 1.00 0.00 O ATOM 1954 CB PRO A 121 16.049 22.853 -4.812 1.00 0.00 C ATOM 1955 CG PRO A 121 16.741 21.862 -5.683 1.00 0.00 C ATOM 1956 CD PRO A 121 16.313 20.508 -5.190 1.00 0.00 C ATOM 0 HA PRO A 121 14.343 22.451 -3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 121 15.902 23.801 -5.330 1.00 0.00 H new ATOM 0 HB3 PRO A 121 16.631 23.067 -3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 121 16.466 22.002 -6.728 1.00 0.00 H new ATOM 0 HG3 PRO A 121 17.823 21.976 -5.620 1.00 0.00 H new ATOM 0 HD2 PRO A 121 16.253 19.785 -6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 121 17.014 20.107 -4.458 1.00 0.00 H new ATOM 1964 N SER A 122 13.340 21.850 -6.431 1.00 0.00 N ATOM 1965 CA SER A 122 12.320 22.182 -7.420 1.00 0.00 C ATOM 1966 C SER A 122 11.013 22.578 -6.740 1.00 0.00 C ATOM 1967 O SER A 122 10.218 21.722 -6.351 1.00 0.00 O ATOM 1968 CB SER A 122 12.082 20.997 -8.357 1.00 0.00 C ATOM 1969 OG SER A 122 11.039 21.274 -9.276 1.00 0.00 O ATOM 0 H SER A 122 13.803 20.955 -6.587 1.00 0.00 H new ATOM 0 HA SER A 122 12.678 23.030 -8.003 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.999 20.770 -8.901 1.00 0.00 H new ATOM 0 HB3 SER A 122 11.830 20.112 -7.772 1.00 0.00 H new ATOM 0 HG SER A 122 10.908 20.501 -9.864 1.00 0.00 H new ATOM 1975 N SER A 123 10.797 23.882 -6.599 1.00 0.00 N ATOM 1976 CA SER A 123 9.589 24.393 -5.963 1.00 0.00 C ATOM 1977 C SER A 123 8.365 24.137 -6.837 1.00 0.00 C ATOM 1978 O SER A 123 8.487 23.740 -7.995 1.00 0.00 O ATOM 1979 CB SER A 123 9.727 25.891 -5.686 1.00 0.00 C ATOM 1980 OG SER A 123 10.128 26.590 -6.852 1.00 0.00 O ATOM 0 H SER A 123 11.444 24.604 -6.917 1.00 0.00 H new ATOM 0 HA SER A 123 9.456 23.867 -5.018 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.776 26.287 -5.329 1.00 0.00 H new ATOM 0 HB3 SER A 123 10.457 26.052 -4.893 1.00 0.00 H new ATOM 0 HG SER A 123 10.207 27.546 -6.649 1.00 0.00 H new ATOM 1986 N GLY A 124 7.183 24.367 -6.272 1.00 0.00 N ATOM 1987 CA GLY A 124 5.953 24.156 -7.013 1.00 0.00 C ATOM 1988 C GLY A 124 4.745 24.737 -6.307 1.00 0.00 C ATOM 1989 O GLY A 124 4.883 25.546 -5.389 1.00 0.00 O ATOM 0 H GLY A 124 7.056 24.696 -5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.045 24.608 -8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.802 23.087 -7.164 1.00 0.00 H new TER 1993 GLY A 124