USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 694 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 37 THR OG1 : rot 62:sc= 1.18 USER MOD Set 1.2: A 40 GLN :FLIP amide:sc= -0.745 F(o=-1.6!,f=0.49) USER MOD Set 1.3: A 57 ASN : amide:sc= 0.0573 K(o=0.49,f=-2.7) USER MOD Set 2.1: A 17 SER OG : rot -80:sc= 0.621 USER MOD Set 2.2: A 87 GLN :FLIP amide:sc= 0.418 F(o=0.33,f=1) USER MOD Set 3.1: A 12 LYS NZ :NH3+ -141:sc= 0.703 (180deg=-0.0901) USER MOD Set 3.2: A 38 TYR OH : rot 30:sc= 0.476 USER MOD Set 3.3: A 42 ASN : amide:sc= -0.881! C(o=1.3!,f=-1.1!) USER MOD Set 3.4: A 83 SER OG : rot 175:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0104 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -36:sc= 0.0182 USER MOD Single : A 6 LYS NZ :NH3+ 138:sc= -0.545 (180deg=-2.47!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 13 MET CE :methyl -126:sc=-0.00544 (180deg=-0.589) USER MOD Single : A 15 CYS SG : rot 44:sc= -3.21! USER MOD Single : A 20 HIS : no HD1:sc= -0.0448 X(o=-0.045,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.3) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -77:sc= 0.725 USER MOD Single : A 32 LYS NZ :NH3+ 158:sc= 1.18 (180deg=0.803) USER MOD Single : A 33 ASN : amide:sc= -0.578 X(o=-0.58,f=-1) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0545) USER MOD Single : A 50 HIS : no HE2:sc= 0.527 K(o=0.53,f=-1.8) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -22:sc= 0.13 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 137:sc= -0.767 (180deg=-2.93!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc=-0.00115 F(o=-1.4,f=-0.0012) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0486 F(o=-1.5,f=-0.049) USER MOD Single : A 73 TYR OH : rot 169:sc= 0.986 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0392 X(o=-0.039,f=-0.039) USER MOD Single : A 81 THR OG1 : rot 80:sc= 1.31 USER MOD Single : A 82 LYS NZ :NH3+ -116:sc= 0.719 (180deg=-0.126) USER MOD Single : A 86 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.813 -1.573 -24.378 1.00 0.00 N ATOM 2 CA MET A 1 -8.847 -2.364 -23.571 1.00 0.00 C ATOM 3 C MET A 1 -7.646 -2.763 -24.438 1.00 0.00 C ATOM 4 O MET A 1 -7.826 -3.160 -25.598 1.00 0.00 O ATOM 5 CB MET A 1 -9.526 -3.636 -22.975 1.00 0.00 C ATOM 6 CG MET A 1 -8.580 -4.555 -22.180 1.00 0.00 C ATOM 7 SD MET A 1 -9.373 -6.057 -21.562 1.00 0.00 S ATOM 8 CE MET A 1 -7.970 -6.912 -20.828 1.00 0.00 C ATOM 0 H1 MET A 1 -10.778 -1.914 -24.196 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.745 -0.569 -24.115 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.592 -1.682 -25.388 1.00 0.00 H new ATOM 0 HA MET A 1 -8.502 -1.744 -22.743 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.342 -3.324 -22.323 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.970 -4.210 -23.789 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.740 -4.834 -22.816 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.171 -3.998 -21.337 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.303 -7.859 -20.404 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.218 -7.102 -21.594 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.538 -6.294 -20.041 1.00 0.00 H new ATOM 20 N LYS A 2 -6.428 -2.658 -23.872 1.00 0.00 N ATOM 21 CA LYS A 2 -5.195 -3.138 -24.516 1.00 0.00 C ATOM 22 C LYS A 2 -4.209 -3.633 -23.440 1.00 0.00 C ATOM 23 O LYS A 2 -3.559 -2.835 -22.761 1.00 0.00 O ATOM 24 CB LYS A 2 -4.562 -2.032 -25.411 1.00 0.00 C ATOM 25 CG LYS A 2 -3.341 -2.483 -26.249 1.00 0.00 C ATOM 26 CD LYS A 2 -3.658 -3.655 -27.223 1.00 0.00 C ATOM 27 CE LYS A 2 -4.751 -3.328 -28.264 1.00 0.00 C ATOM 28 NZ LYS A 2 -4.389 -2.181 -29.138 1.00 0.00 N ATOM 0 H LYS A 2 -6.274 -2.238 -22.956 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.439 -3.974 -25.172 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.327 -1.652 -26.088 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.259 -1.201 -24.774 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.970 -1.634 -26.823 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.540 -2.787 -25.575 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.744 -3.936 -27.747 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.972 -4.522 -26.642 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.932 -4.207 -28.882 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.684 -3.104 -27.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.157 -2.006 -29.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.242 -1.333 -28.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.514 -2.401 -29.655 1.00 0.00 H new ATOM 42 N ASP A 3 -4.125 -4.968 -23.298 1.00 0.00 N ATOM 43 CA ASP A 3 -3.257 -5.648 -22.312 1.00 0.00 C ATOM 44 C ASP A 3 -1.787 -5.692 -22.805 1.00 0.00 C ATOM 45 O ASP A 3 -0.863 -5.910 -22.017 1.00 0.00 O ATOM 46 CB ASP A 3 -3.808 -7.080 -22.046 1.00 0.00 C ATOM 47 CG ASP A 3 -3.066 -7.831 -20.917 1.00 0.00 C ATOM 48 OD1 ASP A 3 -3.431 -7.653 -19.733 1.00 0.00 O ATOM 49 OD2 ASP A 3 -2.120 -8.602 -21.205 1.00 0.00 O ATOM 0 H ASP A 3 -4.665 -5.616 -23.872 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.265 -5.087 -21.377 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.865 -7.011 -21.791 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.739 -7.663 -22.965 1.00 0.00 H new ATOM 54 N SER A 4 -1.583 -5.447 -24.123 1.00 0.00 N ATOM 55 CA SER A 4 -0.237 -5.384 -24.753 1.00 0.00 C ATOM 56 C SER A 4 0.556 -4.145 -24.265 1.00 0.00 C ATOM 57 O SER A 4 1.773 -4.045 -24.459 1.00 0.00 O ATOM 58 CB SER A 4 -0.376 -5.369 -26.295 1.00 0.00 C ATOM 59 OG SER A 4 0.872 -5.534 -26.947 1.00 0.00 O ATOM 0 H SER A 4 -2.346 -5.287 -24.781 1.00 0.00 H new ATOM 0 HA SER A 4 0.322 -6.271 -24.455 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.054 -6.165 -26.605 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.826 -4.427 -26.608 1.00 0.00 H new ATOM 0 HG SER A 4 1.571 -5.075 -26.436 1.00 0.00 H new ATOM 65 N ASP A 5 -0.163 -3.208 -23.616 1.00 0.00 N ATOM 66 CA ASP A 5 0.427 -2.027 -22.959 1.00 0.00 C ATOM 67 C ASP A 5 1.300 -2.442 -21.736 1.00 0.00 C ATOM 68 O ASP A 5 2.081 -1.636 -21.218 1.00 0.00 O ATOM 69 CB ASP A 5 -0.711 -1.056 -22.550 1.00 0.00 C ATOM 70 CG ASP A 5 -0.199 0.298 -22.024 1.00 0.00 C ATOM 71 OD1 ASP A 5 0.233 1.136 -22.848 1.00 0.00 O ATOM 72 OD2 ASP A 5 -0.219 0.529 -20.793 1.00 0.00 O ATOM 0 H ASP A 5 -1.179 -3.251 -23.533 1.00 0.00 H new ATOM 0 HA ASP A 5 1.091 -1.517 -23.657 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.357 -0.882 -23.410 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.323 -1.528 -21.782 1.00 0.00 H new ATOM 77 N LYS A 6 1.163 -3.714 -21.297 1.00 0.00 N ATOM 78 CA LYS A 6 2.008 -4.323 -20.245 1.00 0.00 C ATOM 79 C LYS A 6 3.487 -4.410 -20.696 1.00 0.00 C ATOM 80 O LYS A 6 4.398 -4.126 -19.910 1.00 0.00 O ATOM 81 CB LYS A 6 1.479 -5.739 -19.891 1.00 0.00 C ATOM 82 CG LYS A 6 2.254 -6.463 -18.761 1.00 0.00 C ATOM 83 CD LYS A 6 1.779 -7.923 -18.487 1.00 0.00 C ATOM 84 CE LYS A 6 0.388 -8.028 -17.812 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.732 -7.678 -18.716 1.00 0.00 N ATOM 0 H LYS A 6 0.457 -4.351 -21.666 1.00 0.00 H new ATOM 0 HA LYS A 6 1.958 -3.687 -19.361 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.432 -5.657 -19.598 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.512 -6.358 -20.788 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.313 -6.481 -19.017 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.158 -5.884 -17.842 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.753 -8.467 -19.431 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.515 -8.419 -17.854 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.246 -9.045 -17.446 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.363 -7.370 -16.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.513 -8.351 -18.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.063 -6.715 -18.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.408 -7.721 -19.703 1.00 0.00 H new ATOM 99 N GLU A 7 3.722 -4.825 -21.961 1.00 0.00 N ATOM 100 CA GLU A 7 5.089 -4.906 -22.529 1.00 0.00 C ATOM 101 C GLU A 7 5.500 -3.566 -23.169 1.00 0.00 C ATOM 102 O GLU A 7 6.663 -3.373 -23.532 1.00 0.00 O ATOM 103 CB GLU A 7 5.204 -6.075 -23.545 1.00 0.00 C ATOM 104 CG GLU A 7 4.388 -5.920 -24.839 1.00 0.00 C ATOM 105 CD GLU A 7 4.532 -7.138 -25.762 1.00 0.00 C ATOM 106 OE1 GLU A 7 5.549 -7.237 -26.482 1.00 0.00 O ATOM 107 OE2 GLU A 7 3.643 -8.019 -25.752 1.00 0.00 O ATOM 0 H GLU A 7 2.986 -5.109 -22.607 1.00 0.00 H new ATOM 0 HA GLU A 7 5.781 -5.110 -21.712 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.254 -6.197 -23.812 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.892 -6.994 -23.049 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.337 -5.777 -24.589 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.714 -5.024 -25.368 1.00 0.00 H new ATOM 114 N LYS A 8 4.525 -2.653 -23.308 1.00 0.00 N ATOM 115 CA LYS A 8 4.752 -1.271 -23.773 1.00 0.00 C ATOM 116 C LYS A 8 4.726 -0.287 -22.585 1.00 0.00 C ATOM 117 O LYS A 8 4.525 0.921 -22.775 1.00 0.00 O ATOM 118 CB LYS A 8 3.665 -0.892 -24.822 1.00 0.00 C ATOM 119 CG LYS A 8 3.777 -1.654 -26.163 1.00 0.00 C ATOM 120 CD LYS A 8 5.107 -1.370 -26.910 1.00 0.00 C ATOM 121 CE LYS A 8 5.307 0.121 -27.256 1.00 0.00 C ATOM 122 NZ LYS A 8 6.540 0.359 -28.044 1.00 0.00 N ATOM 0 H LYS A 8 3.547 -2.853 -23.099 1.00 0.00 H new ATOM 0 HA LYS A 8 5.735 -1.208 -24.239 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.681 -1.081 -24.392 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.726 0.178 -25.020 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.693 -2.724 -25.975 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.940 -1.377 -26.804 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.941 -1.708 -26.294 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.132 -1.956 -27.829 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.445 0.479 -27.819 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.350 0.702 -26.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.629 1.374 -28.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.367 0.043 -27.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.490 -0.173 -28.936 1.00 0.00 H new ATOM 136 N GLU A 9 4.969 -0.819 -21.376 1.00 0.00 N ATOM 137 CA GLU A 9 4.852 -0.079 -20.101 1.00 0.00 C ATOM 138 C GLU A 9 5.977 0.964 -19.939 1.00 0.00 C ATOM 139 O GLU A 9 6.998 0.921 -20.647 1.00 0.00 O ATOM 140 CB GLU A 9 4.828 -1.095 -18.901 1.00 0.00 C ATOM 141 CG GLU A 9 3.613 -0.966 -17.952 1.00 0.00 C ATOM 142 CD GLU A 9 3.648 0.286 -17.052 1.00 0.00 C ATOM 143 OE1 GLU A 9 4.251 0.221 -15.962 1.00 0.00 O ATOM 144 OE2 GLU A 9 3.082 1.339 -17.429 1.00 0.00 O ATOM 0 H GLU A 9 5.257 -1.790 -21.251 1.00 0.00 H new ATOM 0 HA GLU A 9 3.914 0.477 -20.108 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.849 -2.108 -19.303 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.740 -0.965 -18.318 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.700 -0.947 -18.548 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.563 -1.853 -17.321 1.00 0.00 H new ATOM 151 N ASN A 10 5.749 1.924 -19.019 1.00 0.00 N ATOM 152 CA ASN A 10 6.718 2.980 -18.673 1.00 0.00 C ATOM 153 C ASN A 10 8.050 2.369 -18.203 1.00 0.00 C ATOM 154 O ASN A 10 8.074 1.525 -17.296 1.00 0.00 O ATOM 155 CB ASN A 10 6.143 3.899 -17.565 1.00 0.00 C ATOM 156 CG ASN A 10 7.058 5.072 -17.186 1.00 0.00 C ATOM 157 OD1 ASN A 10 7.797 5.599 -18.020 1.00 0.00 O ATOM 158 ND2 ASN A 10 7.013 5.486 -15.927 1.00 0.00 N ATOM 0 H ASN A 10 4.878 1.987 -18.491 1.00 0.00 H new ATOM 0 HA ASN A 10 6.903 3.573 -19.568 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.183 4.294 -17.897 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.950 3.300 -16.675 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.601 6.262 -15.624 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.390 5.028 -15.262 1.00 0.00 H new ATOM 165 N GLY A 11 9.135 2.817 -18.842 1.00 0.00 N ATOM 166 CA GLY A 11 10.496 2.327 -18.606 1.00 0.00 C ATOM 167 C GLY A 11 10.779 0.975 -19.265 1.00 0.00 C ATOM 168 O GLY A 11 11.712 0.852 -20.070 1.00 0.00 O ATOM 0 H GLY A 11 9.090 3.547 -19.553 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.209 3.062 -18.981 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.662 2.241 -17.532 1.00 0.00 H new ATOM 172 N LYS A 12 9.958 -0.039 -18.936 1.00 0.00 N ATOM 173 CA LYS A 12 10.063 -1.379 -19.524 1.00 0.00 C ATOM 174 C LYS A 12 9.199 -1.512 -20.787 1.00 0.00 C ATOM 175 O LYS A 12 8.027 -1.913 -20.729 1.00 0.00 O ATOM 176 CB LYS A 12 9.732 -2.484 -18.484 1.00 0.00 C ATOM 177 CG LYS A 12 10.753 -2.621 -17.328 1.00 0.00 C ATOM 178 CD LYS A 12 12.210 -2.805 -17.823 1.00 0.00 C ATOM 179 CE LYS A 12 12.416 -4.050 -18.706 1.00 0.00 C ATOM 180 NZ LYS A 12 12.196 -5.312 -17.964 1.00 0.00 N ATOM 0 H LYS A 12 9.204 0.052 -18.255 1.00 0.00 H new ATOM 0 HA LYS A 12 11.100 -1.520 -19.828 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.750 -2.279 -18.059 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.662 -3.440 -19.002 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.699 -1.734 -16.697 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.477 -3.472 -16.706 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.507 -1.920 -18.385 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.871 -2.871 -16.959 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.733 -4.007 -19.555 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.428 -4.041 -19.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.898 -6.018 -18.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.295 -5.137 -16.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.240 -5.669 -18.162 1.00 0.00 H new ATOM 194 N MET A 13 9.794 -1.134 -21.920 1.00 0.00 N ATOM 195 CA MET A 13 9.241 -1.366 -23.260 1.00 0.00 C ATOM 196 C MET A 13 10.344 -2.009 -24.120 1.00 0.00 C ATOM 197 O MET A 13 11.494 -2.137 -23.664 1.00 0.00 O ATOM 198 CB MET A 13 8.738 -0.026 -23.888 1.00 0.00 C ATOM 199 CG MET A 13 9.843 0.861 -24.482 1.00 0.00 C ATOM 200 SD MET A 13 11.211 1.155 -23.333 1.00 0.00 S ATOM 201 CE MET A 13 12.535 1.605 -24.454 1.00 0.00 C ATOM 0 H MET A 13 10.691 -0.649 -21.934 1.00 0.00 H new ATOM 0 HA MET A 13 8.380 -2.033 -23.207 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.016 -0.257 -24.671 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.208 0.541 -23.123 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.230 0.392 -25.387 1.00 0.00 H new ATOM 0 HG3 MET A 13 9.413 1.818 -24.778 1.00 0.00 H new ATOM 0 HE1 MET A 13 13.399 0.966 -24.272 1.00 0.00 H new ATOM 0 HE2 MET A 13 12.200 1.477 -25.483 1.00 0.00 H new ATOM 0 HE3 MET A 13 12.813 2.646 -24.290 1.00 0.00 H new ATOM 211 N GLY A 14 9.993 -2.423 -25.343 1.00 0.00 N ATOM 212 CA GLY A 14 10.982 -2.900 -26.313 1.00 0.00 C ATOM 213 C GLY A 14 11.526 -4.285 -26.014 1.00 0.00 C ATOM 214 O GLY A 14 12.653 -4.612 -26.386 1.00 0.00 O ATOM 0 H GLY A 14 9.031 -2.437 -25.683 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.529 -2.906 -27.304 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.812 -2.195 -26.346 1.00 0.00 H new ATOM 218 N CYS A 15 10.737 -5.102 -25.323 1.00 0.00 N ATOM 219 CA CYS A 15 11.089 -6.501 -25.061 1.00 0.00 C ATOM 220 C CYS A 15 10.760 -7.345 -26.316 1.00 0.00 C ATOM 221 O CYS A 15 9.617 -7.773 -26.506 1.00 0.00 O ATOM 222 CB CYS A 15 10.341 -6.993 -23.804 1.00 0.00 C ATOM 223 SG CYS A 15 8.557 -6.743 -23.857 1.00 0.00 S ATOM 0 H CYS A 15 9.840 -4.819 -24.929 1.00 0.00 H new ATOM 0 HA CYS A 15 12.156 -6.603 -24.862 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.543 -8.055 -23.668 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.743 -6.478 -22.932 1.00 0.00 H new ATOM 0 HG CYS A 15 8.106 -7.081 -25.029 1.00 0.00 H new ATOM 229 N TRP A 16 11.756 -7.493 -27.216 1.00 0.00 N ATOM 230 CA TRP A 16 11.592 -8.214 -28.499 1.00 0.00 C ATOM 231 C TRP A 16 12.149 -9.646 -28.393 1.00 0.00 C ATOM 232 O TRP A 16 12.644 -10.065 -27.336 1.00 0.00 O ATOM 233 CB TRP A 16 12.323 -7.450 -29.648 1.00 0.00 C ATOM 234 CG TRP A 16 12.065 -5.959 -29.669 1.00 0.00 C ATOM 235 CD1 TRP A 16 10.887 -5.310 -29.935 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.025 -4.934 -29.394 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.063 -3.952 -29.834 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.368 -3.699 -29.501 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.379 -4.950 -29.064 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.024 -2.490 -29.283 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.025 -3.753 -28.846 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.349 -2.538 -28.956 1.00 0.00 C ATOM 0 H TRP A 16 12.694 -7.118 -27.075 1.00 0.00 H new ATOM 0 HA TRP A 16 10.527 -8.267 -28.725 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.396 -7.620 -29.556 1.00 0.00 H new ATOM 0 HB3 TRP A 16 12.014 -7.874 -30.604 1.00 0.00 H new ATOM 0 HD1 TRP A 16 9.956 -5.796 -30.187 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.341 -3.247 -29.982 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.913 -5.885 -28.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.503 -1.548 -29.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.073 -3.755 -28.585 1.00 0.00 H new ATOM 0 HH2 TRP A 16 14.884 -1.617 -28.779 1.00 0.00 H new ATOM 253 N SER A 17 12.031 -10.395 -29.496 1.00 0.00 N ATOM 254 CA SER A 17 12.716 -11.683 -29.682 1.00 0.00 C ATOM 255 C SER A 17 13.983 -11.466 -30.532 1.00 0.00 C ATOM 256 O SER A 17 14.160 -10.391 -31.129 1.00 0.00 O ATOM 257 CB SER A 17 11.762 -12.682 -30.370 1.00 0.00 C ATOM 258 OG SER A 17 10.567 -12.866 -29.618 1.00 0.00 O ATOM 0 H SER A 17 11.453 -10.123 -30.292 1.00 0.00 H new ATOM 0 HA SER A 17 13.007 -12.093 -28.715 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.513 -12.321 -31.368 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.266 -13.641 -30.495 1.00 0.00 H new ATOM 0 HG SER A 17 10.738 -13.487 -28.879 1.00 0.00 H new ATOM 264 N ILE A 18 14.841 -12.500 -30.600 1.00 0.00 N ATOM 265 CA ILE A 18 16.088 -12.480 -31.397 1.00 0.00 C ATOM 266 C ILE A 18 15.769 -12.190 -32.882 1.00 0.00 C ATOM 267 O ILE A 18 16.421 -11.361 -33.529 1.00 0.00 O ATOM 268 CB ILE A 18 16.850 -13.861 -31.300 1.00 0.00 C ATOM 269 CG1 ILE A 18 17.157 -14.258 -29.811 1.00 0.00 C ATOM 270 CG2 ILE A 18 18.131 -13.877 -32.182 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.983 -13.266 -29.017 1.00 0.00 C ATOM 0 H ILE A 18 14.691 -13.378 -30.103 1.00 0.00 H new ATOM 0 HA ILE A 18 16.725 -11.694 -30.992 1.00 0.00 H new ATOM 0 HB ILE A 18 16.180 -14.623 -31.698 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.210 -14.409 -29.293 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.677 -15.216 -29.811 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.626 -14.844 -32.087 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.858 -13.710 -33.224 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.809 -13.089 -31.854 1.00 0.00 H new ATOM 0 HD11 ILE A 18 18.132 -13.644 -28.005 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.951 -13.130 -29.500 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.461 -12.310 -28.974 1.00 0.00 H new ATOM 283 N GLU A 19 14.723 -12.868 -33.381 1.00 0.00 N ATOM 284 CA GLU A 19 14.313 -12.804 -34.788 1.00 0.00 C ATOM 285 C GLU A 19 13.672 -11.452 -35.151 1.00 0.00 C ATOM 286 O GLU A 19 13.853 -10.966 -36.268 1.00 0.00 O ATOM 287 CB GLU A 19 13.380 -13.983 -35.122 1.00 0.00 C ATOM 288 CG GLU A 19 14.067 -15.352 -34.998 1.00 0.00 C ATOM 289 CD GLU A 19 13.160 -16.524 -35.415 1.00 0.00 C ATOM 290 OE1 GLU A 19 13.134 -16.878 -36.614 1.00 0.00 O ATOM 291 OE2 GLU A 19 12.448 -17.076 -34.552 1.00 0.00 O ATOM 0 H GLU A 19 14.136 -13.479 -32.814 1.00 0.00 H new ATOM 0 HA GLU A 19 15.211 -12.887 -35.400 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.517 -13.955 -34.457 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.003 -13.863 -36.138 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.965 -15.358 -35.616 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.388 -15.498 -33.967 1.00 0.00 H new ATOM 298 N HIS A 20 12.943 -10.831 -34.205 1.00 0.00 N ATOM 299 CA HIS A 20 12.372 -9.482 -34.419 1.00 0.00 C ATOM 300 C HIS A 20 13.512 -8.469 -34.594 1.00 0.00 C ATOM 301 O HIS A 20 13.486 -7.631 -35.498 1.00 0.00 O ATOM 302 CB HIS A 20 11.460 -9.046 -33.246 1.00 0.00 C ATOM 303 CG HIS A 20 10.831 -7.682 -33.445 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.583 -7.495 -34.000 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.312 -6.436 -33.194 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.327 -6.203 -34.084 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.361 -5.544 -33.601 1.00 0.00 N ATOM 0 H HIS A 20 12.735 -11.235 -33.292 1.00 0.00 H new ATOM 0 HA HIS A 20 11.757 -9.517 -35.318 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.670 -9.786 -33.115 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.044 -9.037 -32.326 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.269 -6.196 -32.754 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.425 -5.761 -34.481 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.439 -4.529 -33.541 1.00 0.00 H new ATOM 316 N VAL A 21 14.504 -8.581 -33.713 1.00 0.00 N ATOM 317 CA VAL A 21 15.697 -7.737 -33.736 1.00 0.00 C ATOM 318 C VAL A 21 16.389 -7.837 -35.105 1.00 0.00 C ATOM 319 O VAL A 21 16.413 -6.863 -35.839 1.00 0.00 O ATOM 320 CB VAL A 21 16.654 -8.132 -32.552 1.00 0.00 C ATOM 321 CG1 VAL A 21 18.077 -7.538 -32.697 1.00 0.00 C ATOM 322 CG2 VAL A 21 16.003 -7.710 -31.214 1.00 0.00 C ATOM 0 H VAL A 21 14.502 -9.266 -32.957 1.00 0.00 H new ATOM 0 HA VAL A 21 15.414 -6.694 -33.594 1.00 0.00 H new ATOM 0 HB VAL A 21 16.786 -9.214 -32.574 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.688 -7.847 -31.849 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.529 -7.898 -33.621 1.00 0.00 H new ATOM 0 HG13 VAL A 21 18.016 -6.450 -32.723 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.661 -7.981 -30.388 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.842 -6.632 -31.212 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.046 -8.220 -31.098 1.00 0.00 H new ATOM 332 N GLU A 22 16.815 -9.053 -35.479 1.00 0.00 N ATOM 333 CA GLU A 22 17.646 -9.272 -36.675 1.00 0.00 C ATOM 334 C GLU A 22 16.918 -8.903 -37.990 1.00 0.00 C ATOM 335 O GLU A 22 17.504 -8.248 -38.862 1.00 0.00 O ATOM 336 CB GLU A 22 18.153 -10.737 -36.718 1.00 0.00 C ATOM 337 CG GLU A 22 17.074 -11.816 -36.907 1.00 0.00 C ATOM 338 CD GLU A 22 17.653 -13.219 -37.111 1.00 0.00 C ATOM 339 OE1 GLU A 22 17.987 -13.891 -36.111 1.00 0.00 O ATOM 340 OE2 GLU A 22 17.786 -13.656 -38.283 1.00 0.00 O ATOM 0 H GLU A 22 16.596 -9.907 -34.966 1.00 0.00 H new ATOM 0 HA GLU A 22 18.500 -8.599 -36.596 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.876 -10.827 -37.529 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.687 -10.943 -35.791 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.420 -11.823 -36.035 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.456 -11.556 -37.767 1.00 0.00 H new ATOM 347 N GLN A 23 15.634 -9.288 -38.107 1.00 0.00 N ATOM 348 CA GLN A 23 14.856 -9.127 -39.355 1.00 0.00 C ATOM 349 C GLN A 23 14.412 -7.671 -39.566 1.00 0.00 C ATOM 350 O GLN A 23 14.389 -7.187 -40.703 1.00 0.00 O ATOM 351 CB GLN A 23 13.626 -10.074 -39.353 1.00 0.00 C ATOM 352 CG GLN A 23 13.980 -11.581 -39.363 1.00 0.00 C ATOM 353 CD GLN A 23 14.713 -12.047 -40.631 1.00 0.00 C ATOM 354 OE1 GLN A 23 14.493 -11.519 -41.723 1.00 0.00 O ATOM 355 NE2 GLN A 23 15.580 -13.044 -40.497 1.00 0.00 N ATOM 0 H GLN A 23 15.107 -9.717 -37.346 1.00 0.00 H new ATOM 0 HA GLN A 23 15.508 -9.395 -40.186 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.020 -9.861 -38.472 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.010 -9.852 -40.225 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.601 -11.803 -38.495 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.062 -12.159 -39.254 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.740 -13.460 -39.580 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.085 -13.393 -41.311 1.00 0.00 H new ATOM 364 N TYR A 24 14.059 -6.978 -38.473 1.00 0.00 N ATOM 365 CA TYR A 24 13.563 -5.592 -38.537 1.00 0.00 C ATOM 366 C TYR A 24 14.719 -4.567 -38.383 1.00 0.00 C ATOM 367 O TYR A 24 14.499 -3.378 -38.605 1.00 0.00 O ATOM 368 CB TYR A 24 12.470 -5.343 -37.454 1.00 0.00 C ATOM 369 CG TYR A 24 11.171 -6.172 -37.585 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.180 -7.562 -37.457 1.00 0.00 C ATOM 371 CD2 TYR A 24 9.931 -5.560 -37.801 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.022 -8.306 -37.545 1.00 0.00 C ATOM 373 CE2 TYR A 24 8.767 -6.305 -37.885 1.00 0.00 C ATOM 374 CZ TYR A 24 8.818 -7.676 -37.756 1.00 0.00 C ATOM 375 OH TYR A 24 7.662 -8.420 -37.835 1.00 0.00 O ATOM 0 H TYR A 24 14.108 -7.357 -37.527 1.00 0.00 H new ATOM 0 HA TYR A 24 13.116 -5.450 -39.521 1.00 0.00 H new ATOM 0 HB2 TYR A 24 12.906 -5.544 -36.476 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.204 -4.286 -37.473 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.118 -8.068 -37.285 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.881 -4.486 -37.904 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.061 -9.381 -37.448 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.820 -5.812 -38.051 1.00 0.00 H new ATOM 0 HH TYR A 24 6.899 -7.824 -37.986 1.00 0.00 H new ATOM 385 N LEU A 25 15.941 -5.027 -38.003 1.00 0.00 N ATOM 386 CA LEU A 25 17.129 -4.136 -37.844 1.00 0.00 C ATOM 387 C LEU A 25 17.468 -3.405 -39.157 1.00 0.00 C ATOM 388 O LEU A 25 17.863 -4.028 -40.143 1.00 0.00 O ATOM 389 CB LEU A 25 18.375 -4.926 -37.304 1.00 0.00 C ATOM 390 CG LEU A 25 18.687 -4.744 -35.779 1.00 0.00 C ATOM 391 CD1 LEU A 25 19.847 -5.641 -35.319 1.00 0.00 C ATOM 392 CD2 LEU A 25 18.971 -3.267 -35.442 1.00 0.00 C ATOM 0 H LEU A 25 16.132 -6.008 -37.801 1.00 0.00 H new ATOM 0 HA LEU A 25 16.866 -3.382 -37.102 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.222 -5.987 -37.501 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.252 -4.619 -37.874 1.00 0.00 H new ATOM 0 HG LEU A 25 17.797 -5.055 -35.232 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.030 -5.483 -34.256 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.589 -6.686 -35.492 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.746 -5.391 -35.883 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.184 -3.171 -34.377 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.830 -2.921 -36.017 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.100 -2.662 -35.693 1.00 0.00 H new ATOM 404 N GLY A 26 17.299 -2.073 -39.143 1.00 0.00 N ATOM 405 CA GLY A 26 17.548 -1.218 -40.312 1.00 0.00 C ATOM 406 C GLY A 26 16.312 -0.447 -40.757 1.00 0.00 C ATOM 407 O GLY A 26 16.424 0.638 -41.348 1.00 0.00 O ATOM 0 H GLY A 26 16.986 -1.559 -38.319 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.345 -0.512 -40.077 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.902 -1.835 -41.138 1.00 0.00 H new ATOM 411 N THR A 27 15.126 -1.015 -40.476 1.00 0.00 N ATOM 412 CA THR A 27 13.834 -0.397 -40.829 1.00 0.00 C ATOM 413 C THR A 27 13.474 0.704 -39.811 1.00 0.00 C ATOM 414 O THR A 27 14.202 0.919 -38.837 1.00 0.00 O ATOM 415 CB THR A 27 12.685 -1.467 -40.875 1.00 0.00 C ATOM 416 OG1 THR A 27 12.375 -1.933 -39.553 1.00 0.00 O ATOM 417 CG2 THR A 27 13.050 -2.679 -41.754 1.00 0.00 C ATOM 0 H THR A 27 15.035 -1.912 -39.999 1.00 0.00 H new ATOM 0 HA THR A 27 13.936 0.043 -41.821 1.00 0.00 H new ATOM 0 HB THR A 27 11.818 -0.972 -41.313 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.061 -2.569 -39.261 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.224 -3.390 -41.754 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.241 -2.345 -42.774 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.944 -3.160 -41.357 1.00 0.00 H new ATOM 425 N ASP A 28 12.349 1.410 -40.034 1.00 0.00 N ATOM 426 CA ASP A 28 11.829 2.371 -39.041 1.00 0.00 C ATOM 427 C ASP A 28 11.126 1.615 -37.891 1.00 0.00 C ATOM 428 O ASP A 28 11.000 2.144 -36.783 1.00 0.00 O ATOM 429 CB ASP A 28 10.870 3.396 -39.702 1.00 0.00 C ATOM 430 CG ASP A 28 10.442 4.522 -38.731 1.00 0.00 C ATOM 431 OD1 ASP A 28 11.274 5.412 -38.441 1.00 0.00 O ATOM 432 OD2 ASP A 28 9.293 4.503 -38.228 1.00 0.00 O ATOM 0 H ASP A 28 11.788 1.335 -40.883 1.00 0.00 H new ATOM 0 HA ASP A 28 12.669 2.930 -38.628 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.358 3.837 -40.571 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.983 2.877 -40.064 1.00 0.00 H new ATOM 437 N GLU A 29 10.688 0.363 -38.171 1.00 0.00 N ATOM 438 CA GLU A 29 10.110 -0.536 -37.151 1.00 0.00 C ATOM 439 C GLU A 29 11.129 -0.785 -36.029 1.00 0.00 C ATOM 440 O GLU A 29 10.824 -0.605 -34.846 1.00 0.00 O ATOM 441 CB GLU A 29 9.688 -1.895 -37.770 1.00 0.00 C ATOM 442 CG GLU A 29 8.651 -1.804 -38.898 1.00 0.00 C ATOM 443 CD GLU A 29 7.362 -1.084 -38.469 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.560 -1.684 -37.721 1.00 0.00 O ATOM 445 OE2 GLU A 29 7.154 0.082 -38.857 1.00 0.00 O ATOM 0 H GLU A 29 10.726 -0.046 -39.104 1.00 0.00 H new ATOM 0 HA GLU A 29 9.223 -0.050 -36.745 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.578 -2.393 -38.155 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.286 -2.528 -36.979 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.090 -1.279 -39.746 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.403 -2.809 -39.239 1.00 0.00 H new ATOM 452 N LEU A 30 12.353 -1.168 -36.429 1.00 0.00 N ATOM 453 CA LEU A 30 13.461 -1.416 -35.491 1.00 0.00 C ATOM 454 C LEU A 30 14.752 -0.829 -36.098 1.00 0.00 C ATOM 455 O LEU A 30 15.495 -1.540 -36.774 1.00 0.00 O ATOM 456 CB LEU A 30 13.572 -2.952 -35.192 1.00 0.00 C ATOM 457 CG LEU A 30 14.191 -3.398 -33.829 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.716 -3.194 -33.754 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.482 -2.683 -32.671 1.00 0.00 C ATOM 0 H LEU A 30 12.602 -1.314 -37.407 1.00 0.00 H new ATOM 0 HA LEU A 30 13.284 -0.926 -34.534 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.570 -3.377 -35.257 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.162 -3.404 -35.989 1.00 0.00 H new ATOM 0 HG LEU A 30 14.031 -4.473 -33.745 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.080 -3.524 -32.781 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.200 -3.775 -34.539 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.949 -2.138 -33.889 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.920 -3.000 -31.725 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.600 -1.605 -32.782 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.422 -2.935 -32.682 1.00 0.00 H new ATOM 471 N PRO A 31 15.000 0.507 -35.935 1.00 0.00 N ATOM 472 CA PRO A 31 16.277 1.121 -36.350 1.00 0.00 C ATOM 473 C PRO A 31 17.441 0.629 -35.470 1.00 0.00 C ATOM 474 O PRO A 31 17.228 0.208 -34.317 1.00 0.00 O ATOM 475 CB PRO A 31 16.019 2.646 -36.199 1.00 0.00 C ATOM 476 CG PRO A 31 14.895 2.766 -35.219 1.00 0.00 C ATOM 477 CD PRO A 31 14.052 1.521 -35.385 1.00 0.00 C ATOM 0 HA PRO A 31 16.571 0.858 -37.366 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.910 3.161 -35.839 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.755 3.096 -37.156 1.00 0.00 H new ATOM 0 HG2 PRO A 31 15.274 2.846 -34.200 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.306 3.663 -35.411 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.629 1.197 -34.434 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.216 1.694 -36.063 1.00 0.00 H new ATOM 485 N LYS A 32 18.667 0.679 -36.027 1.00 0.00 N ATOM 486 CA LYS A 32 19.897 0.273 -35.321 1.00 0.00 C ATOM 487 C LYS A 32 20.037 1.029 -33.989 1.00 0.00 C ATOM 488 O LYS A 32 20.268 0.420 -32.940 1.00 0.00 O ATOM 489 CB LYS A 32 21.142 0.510 -36.223 1.00 0.00 C ATOM 490 CG LYS A 32 21.245 -0.453 -37.437 1.00 0.00 C ATOM 491 CD LYS A 32 22.448 -0.132 -38.356 1.00 0.00 C ATOM 492 CE LYS A 32 22.345 1.265 -38.998 1.00 0.00 C ATOM 493 NZ LYS A 32 23.503 1.573 -39.866 1.00 0.00 N ATOM 0 H LYS A 32 18.832 1.002 -36.980 1.00 0.00 H new ATOM 0 HA LYS A 32 19.830 -0.792 -35.098 1.00 0.00 H new ATOM 0 HB2 LYS A 32 21.120 1.536 -36.589 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.041 0.407 -35.615 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.333 -1.478 -37.076 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.325 -0.398 -38.018 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.370 -0.195 -37.778 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.512 -0.885 -39.141 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.428 1.326 -39.585 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.272 2.018 -38.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.239 2.313 -40.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.296 1.907 -39.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.789 0.716 -40.380 1.00 0.00 H new ATOM 507 N ASN A 33 19.808 2.351 -34.057 1.00 0.00 N ATOM 508 CA ASN A 33 19.876 3.261 -32.897 1.00 0.00 C ATOM 509 C ASN A 33 18.984 2.770 -31.733 1.00 0.00 C ATOM 510 O ASN A 33 19.384 2.843 -30.575 1.00 0.00 O ATOM 511 CB ASN A 33 19.443 4.685 -33.321 1.00 0.00 C ATOM 512 CG ASN A 33 19.482 5.712 -32.178 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.461 6.421 -31.999 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.431 5.756 -31.369 1.00 0.00 N ATOM 0 H ASN A 33 19.568 2.825 -34.928 1.00 0.00 H new ATOM 0 HA ASN A 33 20.908 3.277 -32.546 1.00 0.00 H new ATOM 0 HB2 ASN A 33 20.093 5.027 -34.127 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.431 4.642 -33.724 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.427 6.394 -30.573 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.628 5.152 -31.543 1.00 0.00 H new ATOM 521 N ASP A 34 17.780 2.268 -32.071 1.00 0.00 N ATOM 522 CA ASP A 34 16.748 1.888 -31.077 1.00 0.00 C ATOM 523 C ASP A 34 17.128 0.599 -30.327 1.00 0.00 C ATOM 524 O ASP A 34 16.823 0.444 -29.136 1.00 0.00 O ATOM 525 CB ASP A 34 15.375 1.729 -31.771 1.00 0.00 C ATOM 526 CG ASP A 34 14.216 1.467 -30.792 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.943 2.345 -29.942 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.553 0.410 -30.889 1.00 0.00 O ATOM 0 H ASP A 34 17.493 2.114 -33.037 1.00 0.00 H new ATOM 0 HA ASP A 34 16.683 2.687 -30.339 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.160 2.632 -32.343 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.431 0.906 -32.484 1.00 0.00 H new ATOM 533 N LEU A 35 17.807 -0.317 -31.038 1.00 0.00 N ATOM 534 CA LEU A 35 18.352 -1.553 -30.435 1.00 0.00 C ATOM 535 C LEU A 35 19.454 -1.172 -29.423 1.00 0.00 C ATOM 536 O LEU A 35 19.461 -1.638 -28.275 1.00 0.00 O ATOM 537 CB LEU A 35 18.895 -2.490 -31.565 1.00 0.00 C ATOM 538 CG LEU A 35 19.173 -3.996 -31.213 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.437 -4.204 -30.355 1.00 0.00 C ATOM 540 CD2 LEU A 35 17.949 -4.633 -30.541 1.00 0.00 C ATOM 0 H LEU A 35 17.994 -0.227 -32.037 1.00 0.00 H new ATOM 0 HA LEU A 35 17.573 -2.097 -29.901 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.181 -2.467 -32.388 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.824 -2.058 -31.937 1.00 0.00 H new ATOM 0 HG LEU A 35 19.363 -4.499 -32.161 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.567 -5.267 -30.150 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.308 -3.829 -30.893 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.331 -3.664 -29.414 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.164 -5.675 -30.306 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.717 -4.095 -29.622 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.095 -4.582 -31.217 1.00 0.00 H new ATOM 552 N ILE A 36 20.360 -0.289 -29.881 1.00 0.00 N ATOM 553 CA ILE A 36 21.462 0.264 -29.061 1.00 0.00 C ATOM 554 C ILE A 36 20.897 0.972 -27.805 1.00 0.00 C ATOM 555 O ILE A 36 21.428 0.811 -26.702 1.00 0.00 O ATOM 556 CB ILE A 36 22.328 1.277 -29.918 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.882 0.579 -31.206 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.494 1.881 -29.092 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.408 1.525 -32.285 1.00 0.00 C ATOM 0 H ILE A 36 20.351 0.066 -30.837 1.00 0.00 H new ATOM 0 HA ILE A 36 22.101 -0.558 -28.739 1.00 0.00 H new ATOM 0 HB ILE A 36 21.671 2.095 -30.213 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.686 -0.098 -30.916 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.090 -0.033 -31.637 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.063 2.570 -29.716 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.091 2.418 -28.233 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.148 1.080 -28.746 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.768 0.944 -33.134 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.605 2.186 -32.612 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.226 2.120 -31.880 1.00 0.00 H new ATOM 571 N THR A 37 19.779 1.704 -28.005 1.00 0.00 N ATOM 572 CA THR A 37 19.083 2.463 -26.949 1.00 0.00 C ATOM 573 C THR A 37 18.546 1.517 -25.855 1.00 0.00 C ATOM 574 O THR A 37 18.814 1.723 -24.671 1.00 0.00 O ATOM 575 CB THR A 37 17.925 3.339 -27.550 1.00 0.00 C ATOM 576 OG1 THR A 37 18.482 4.332 -28.439 1.00 0.00 O ATOM 577 CG2 THR A 37 17.081 4.047 -26.471 1.00 0.00 C ATOM 0 H THR A 37 19.331 1.784 -28.918 1.00 0.00 H new ATOM 0 HA THR A 37 19.807 3.136 -26.490 1.00 0.00 H new ATOM 0 HB THR A 37 17.263 2.660 -28.088 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.934 3.886 -29.186 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.298 4.636 -26.950 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.627 3.302 -25.818 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.721 4.704 -25.882 1.00 0.00 H new ATOM 585 N TYR A 38 17.831 0.454 -26.267 1.00 0.00 N ATOM 586 CA TYR A 38 17.280 -0.556 -25.336 1.00 0.00 C ATOM 587 C TYR A 38 18.406 -1.199 -24.506 1.00 0.00 C ATOM 588 O TYR A 38 18.272 -1.363 -23.298 1.00 0.00 O ATOM 589 CB TYR A 38 16.497 -1.641 -26.117 1.00 0.00 C ATOM 590 CG TYR A 38 15.960 -2.818 -25.261 1.00 0.00 C ATOM 591 CD1 TYR A 38 14.708 -2.769 -24.641 1.00 0.00 C ATOM 592 CD2 TYR A 38 16.710 -3.987 -25.085 1.00 0.00 C ATOM 593 CE1 TYR A 38 14.238 -3.837 -23.886 1.00 0.00 C ATOM 594 CE2 TYR A 38 16.240 -5.050 -24.340 1.00 0.00 C ATOM 595 CZ TYR A 38 15.005 -4.970 -23.745 1.00 0.00 C ATOM 596 OH TYR A 38 14.526 -6.032 -23.016 1.00 0.00 O ATOM 0 H TYR A 38 17.618 0.269 -27.247 1.00 0.00 H new ATOM 0 HA TYR A 38 16.593 -0.056 -24.654 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.655 -1.166 -26.620 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.146 -2.045 -26.894 1.00 0.00 H new ATOM 0 HD1 TYR A 38 14.096 -1.886 -24.751 1.00 0.00 H new ATOM 0 HD2 TYR A 38 17.684 -4.059 -25.545 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.270 -3.777 -23.410 1.00 0.00 H new ATOM 0 HE2 TYR A 38 16.841 -5.940 -24.226 1.00 0.00 H new ATOM 0 HH TYR A 38 13.548 -6.055 -23.076 1.00 0.00 H new ATOM 606 N LEU A 39 19.516 -1.547 -25.176 1.00 0.00 N ATOM 607 CA LEU A 39 20.672 -2.214 -24.532 1.00 0.00 C ATOM 608 C LEU A 39 21.325 -1.314 -23.461 1.00 0.00 C ATOM 609 O LEU A 39 21.670 -1.791 -22.385 1.00 0.00 O ATOM 610 CB LEU A 39 21.708 -2.682 -25.605 1.00 0.00 C ATOM 611 CG LEU A 39 21.540 -4.155 -26.128 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.098 -4.458 -26.581 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.539 -4.461 -27.258 1.00 0.00 C ATOM 0 H LEU A 39 19.643 -1.378 -26.174 1.00 0.00 H new ATOM 0 HA LEU A 39 20.303 -3.100 -24.016 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.649 -2.006 -26.458 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.708 -2.578 -25.185 1.00 0.00 H new ATOM 0 HG LEU A 39 21.757 -4.811 -25.285 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.036 -5.488 -26.933 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.416 -4.320 -25.742 1.00 0.00 H new ATOM 0 HD13 LEU A 39 19.821 -3.781 -27.389 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.399 -5.487 -27.599 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.370 -3.776 -28.089 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.557 -4.338 -26.887 1.00 0.00 H new ATOM 625 N GLN A 40 21.477 -0.012 -23.746 1.00 0.00 N ATOM 626 CA GLN A 40 22.073 0.946 -22.783 1.00 0.00 C ATOM 627 C GLN A 40 21.068 1.356 -21.685 1.00 0.00 C ATOM 628 O GLN A 40 21.475 1.879 -20.640 1.00 0.00 O ATOM 629 CB GLN A 40 22.693 2.168 -23.519 1.00 0.00 C ATOM 630 CG GLN A 40 21.710 2.998 -24.364 1.00 0.00 C ATOM 631 CD GLN A 40 22.360 3.783 -25.516 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.417 3.230 -26.112 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 21.884 4.854 -25.894 1.00 0.00 N flip ATOM 0 H GLN A 40 21.198 0.408 -24.633 1.00 0.00 H new ATOM 0 HA GLN A 40 22.890 0.440 -22.269 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.151 2.823 -22.778 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.493 1.812 -24.168 1.00 0.00 H new ATOM 0 HG2 GLN A 40 20.954 2.331 -24.778 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.192 3.700 -23.710 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.075 5.249 -25.416 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.299 5.346 -26.685 1.00 0.00 H new ATOM 642 N LYS A 41 19.760 1.134 -21.928 1.00 0.00 N ATOM 643 CA LYS A 41 18.714 1.337 -20.896 1.00 0.00 C ATOM 644 C LYS A 41 18.670 0.152 -19.908 1.00 0.00 C ATOM 645 O LYS A 41 18.670 0.353 -18.687 1.00 0.00 O ATOM 646 CB LYS A 41 17.307 1.546 -21.535 1.00 0.00 C ATOM 647 CG LYS A 41 17.144 2.880 -22.299 1.00 0.00 C ATOM 648 CD LYS A 41 15.719 3.090 -22.869 1.00 0.00 C ATOM 649 CE LYS A 41 14.643 3.218 -21.771 1.00 0.00 C ATOM 650 NZ LYS A 41 14.873 4.391 -20.880 1.00 0.00 N ATOM 0 H LYS A 41 19.400 0.815 -22.827 1.00 0.00 H new ATOM 0 HA LYS A 41 18.979 2.242 -20.349 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.107 0.722 -22.220 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.554 1.497 -20.749 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.385 3.706 -21.630 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.863 2.912 -23.117 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.709 3.989 -23.486 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.467 2.253 -23.521 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.662 3.307 -22.237 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.630 2.308 -21.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.064 4.502 -20.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.739 4.240 -20.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.977 5.250 -21.457 1.00 0.00 H new ATOM 664 N ASN A 42 18.640 -1.083 -20.441 1.00 0.00 N ATOM 665 CA ASN A 42 18.385 -2.304 -19.642 1.00 0.00 C ATOM 666 C ASN A 42 19.675 -2.901 -19.056 1.00 0.00 C ATOM 667 O ASN A 42 19.716 -3.209 -17.862 1.00 0.00 O ATOM 668 CB ASN A 42 17.629 -3.349 -20.512 1.00 0.00 C ATOM 669 CG ASN A 42 16.165 -2.970 -20.732 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.285 -3.435 -20.018 1.00 0.00 O ATOM 671 ND2 ASN A 42 15.895 -2.086 -21.681 1.00 0.00 N ATOM 0 H ASN A 42 18.791 -1.266 -21.433 1.00 0.00 H new ATOM 0 HA ASN A 42 17.763 -2.025 -18.792 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.127 -3.443 -21.477 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.681 -4.325 -20.030 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.935 -1.776 -21.831 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.647 -1.715 -22.261 1.00 0.00 H new ATOM 678 N ALA A 43 20.728 -3.030 -19.881 1.00 0.00 N ATOM 679 CA ALA A 43 22.012 -3.644 -19.452 1.00 0.00 C ATOM 680 C ALA A 43 22.853 -2.666 -18.623 1.00 0.00 C ATOM 681 O ALA A 43 22.590 -1.457 -18.617 1.00 0.00 O ATOM 682 CB ALA A 43 22.810 -4.129 -20.676 1.00 0.00 C ATOM 0 H ALA A 43 20.722 -2.719 -20.852 1.00 0.00 H new ATOM 0 HA ALA A 43 21.776 -4.500 -18.820 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.747 -4.576 -20.345 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.226 -4.871 -21.220 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.022 -3.283 -21.330 1.00 0.00 H new ATOM 688 N ASP A 44 23.850 -3.214 -17.903 1.00 0.00 N ATOM 689 CA ASP A 44 24.851 -2.410 -17.169 1.00 0.00 C ATOM 690 C ASP A 44 25.887 -1.842 -18.139 1.00 0.00 C ATOM 691 O ASP A 44 26.089 -2.395 -19.228 1.00 0.00 O ATOM 692 CB ASP A 44 25.567 -3.256 -16.087 1.00 0.00 C ATOM 693 CG ASP A 44 24.618 -3.804 -15.012 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.101 -3.000 -14.205 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.383 -5.030 -14.966 1.00 0.00 O ATOM 0 H ASP A 44 23.986 -4.221 -17.813 1.00 0.00 H new ATOM 0 HA ASP A 44 24.324 -1.593 -16.677 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.078 -4.090 -16.568 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.333 -2.646 -15.608 1.00 0.00 H new ATOM 700 N ALA A 45 26.579 -0.775 -17.701 1.00 0.00 N ATOM 701 CA ALA A 45 27.545 -0.026 -18.533 1.00 0.00 C ATOM 702 C ALA A 45 28.647 -0.940 -19.104 1.00 0.00 C ATOM 703 O ALA A 45 29.105 -0.725 -20.225 1.00 0.00 O ATOM 704 CB ALA A 45 28.159 1.121 -17.725 1.00 0.00 C ATOM 0 H ALA A 45 26.485 -0.404 -16.755 1.00 0.00 H new ATOM 0 HA ALA A 45 27.000 0.387 -19.382 1.00 0.00 H new ATOM 0 HB1 ALA A 45 28.869 1.666 -18.348 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.370 1.798 -17.397 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.676 0.717 -16.854 1.00 0.00 H new ATOM 710 N ALA A 46 29.016 -1.980 -18.325 1.00 0.00 N ATOM 711 CA ALA A 46 30.026 -3.000 -18.709 1.00 0.00 C ATOM 712 C ALA A 46 29.708 -3.649 -20.069 1.00 0.00 C ATOM 713 O ALA A 46 30.604 -3.862 -20.896 1.00 0.00 O ATOM 714 CB ALA A 46 30.095 -4.088 -17.630 1.00 0.00 C ATOM 0 H ALA A 46 28.618 -2.140 -17.400 1.00 0.00 H new ATOM 0 HA ALA A 46 30.987 -2.493 -18.799 1.00 0.00 H new ATOM 0 HB1 ALA A 46 30.836 -4.835 -17.914 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.378 -3.639 -16.678 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.120 -4.564 -17.531 1.00 0.00 H new ATOM 720 N PHE A 47 28.419 -3.943 -20.281 1.00 0.00 N ATOM 721 CA PHE A 47 27.927 -4.620 -21.493 1.00 0.00 C ATOM 722 C PHE A 47 28.122 -3.715 -22.725 1.00 0.00 C ATOM 723 O PHE A 47 28.560 -4.171 -23.789 1.00 0.00 O ATOM 724 CB PHE A 47 26.433 -4.987 -21.311 1.00 0.00 C ATOM 725 CG PHE A 47 25.894 -5.954 -22.362 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.084 -7.326 -22.214 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.222 -5.499 -23.500 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.616 -8.208 -23.162 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.758 -6.387 -24.449 1.00 0.00 C ATOM 730 CZ PHE A 47 24.960 -7.740 -24.277 1.00 0.00 C ATOM 0 H PHE A 47 27.681 -3.717 -19.614 1.00 0.00 H new ATOM 0 HA PHE A 47 28.497 -5.536 -21.652 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.296 -5.428 -20.324 1.00 0.00 H new ATOM 0 HB3 PHE A 47 25.840 -4.073 -21.337 1.00 0.00 H new ATOM 0 HD1 PHE A 47 26.604 -7.702 -21.346 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.064 -4.440 -23.638 1.00 0.00 H new ATOM 0 HE1 PHE A 47 25.764 -9.270 -23.030 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.239 -6.023 -25.323 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.602 -8.436 -25.021 1.00 0.00 H new ATOM 740 N LEU A 48 27.822 -2.422 -22.547 1.00 0.00 N ATOM 741 CA LEU A 48 27.977 -1.408 -23.602 1.00 0.00 C ATOM 742 C LEU A 48 29.460 -1.091 -23.827 1.00 0.00 C ATOM 743 O LEU A 48 29.852 -0.720 -24.916 1.00 0.00 O ATOM 744 CB LEU A 48 27.185 -0.110 -23.276 1.00 0.00 C ATOM 745 CG LEU A 48 25.639 -0.250 -23.072 1.00 0.00 C ATOM 746 CD1 LEU A 48 24.995 -1.199 -24.101 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.276 -0.657 -21.635 1.00 0.00 C ATOM 0 H LEU A 48 27.465 -2.048 -21.668 1.00 0.00 H new ATOM 0 HA LEU A 48 27.562 -1.823 -24.520 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.608 0.326 -22.371 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.357 0.603 -24.083 1.00 0.00 H new ATOM 0 HG LEU A 48 25.221 0.742 -23.244 1.00 0.00 H new ATOM 0 HD11 LEU A 48 23.923 -1.262 -23.917 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.168 -0.817 -25.107 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.438 -2.191 -24.008 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.193 -0.741 -21.543 1.00 0.00 H new ATOM 0 HD22 LEU A 48 25.736 -1.617 -21.402 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.641 0.099 -20.940 1.00 0.00 H new ATOM 759 N ARG A 49 30.279 -1.236 -22.786 1.00 0.00 N ATOM 760 CA ARG A 49 31.742 -1.039 -22.878 1.00 0.00 C ATOM 761 C ARG A 49 32.425 -2.259 -23.533 1.00 0.00 C ATOM 762 O ARG A 49 33.541 -2.144 -24.051 1.00 0.00 O ATOM 763 CB ARG A 49 32.331 -0.745 -21.474 1.00 0.00 C ATOM 764 CG ARG A 49 31.902 0.623 -20.888 1.00 0.00 C ATOM 765 CD ARG A 49 32.433 0.881 -19.469 1.00 0.00 C ATOM 766 NE ARG A 49 33.910 0.939 -19.427 1.00 0.00 N ATOM 767 CZ ARG A 49 34.631 1.823 -18.720 1.00 0.00 C ATOM 768 NH1 ARG A 49 34.040 2.756 -17.985 1.00 0.00 N ATOM 769 NH2 ARG A 49 35.947 1.760 -18.748 1.00 0.00 N ATOM 0 H ARG A 49 29.957 -1.493 -21.853 1.00 0.00 H new ATOM 0 HA ARG A 49 31.938 -0.177 -23.516 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.024 -1.535 -20.789 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.419 -0.779 -21.533 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.253 1.417 -21.548 1.00 0.00 H new ATOM 0 HG3 ARG A 49 30.813 0.677 -20.875 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.024 1.819 -19.095 1.00 0.00 H new ATOM 0 HD3 ARG A 49 32.083 0.092 -18.803 1.00 0.00 H new ATOM 0 HE ARG A 49 34.422 0.252 -19.980 1.00 0.00 H new ATOM 0 HH11 ARG A 49 33.022 2.809 -17.951 1.00 0.00 H new ATOM 0 HH12 ARG A 49 34.604 3.420 -17.454 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.412 1.043 -19.305 1.00 0.00 H new ATOM 0 HH22 ARG A 49 36.501 2.429 -18.213 1.00 0.00 H new ATOM 783 N HIS A 50 31.739 -3.420 -23.502 1.00 0.00 N ATOM 784 CA HIS A 50 32.189 -4.655 -24.179 1.00 0.00 C ATOM 785 C HIS A 50 31.907 -4.559 -25.690 1.00 0.00 C ATOM 786 O HIS A 50 32.788 -4.800 -26.522 1.00 0.00 O ATOM 787 CB HIS A 50 31.465 -5.890 -23.572 1.00 0.00 C ATOM 788 CG HIS A 50 31.821 -7.210 -24.212 1.00 0.00 C ATOM 789 ND1 HIS A 50 31.047 -7.809 -25.184 1.00 0.00 N ATOM 790 CD2 HIS A 50 32.863 -8.050 -24.002 1.00 0.00 C ATOM 791 CE1 HIS A 50 31.600 -8.943 -25.553 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.703 -9.116 -24.850 1.00 0.00 N ATOM 0 H HIS A 50 30.855 -3.528 -23.005 1.00 0.00 H new ATOM 0 HA HIS A 50 33.262 -4.771 -24.029 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.698 -5.943 -22.508 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.389 -5.740 -23.656 1.00 0.00 H new ATOM 0 HD1 HIS A 50 30.178 -7.430 -25.559 1.00 0.00 H new ATOM 0 HD2 HIS A 50 33.669 -7.907 -23.298 1.00 0.00 H new ATOM 0 HE1 HIS A 50 31.217 -9.618 -26.304 1.00 0.00 H new ATOM 801 N TRP A 51 30.657 -4.193 -26.029 1.00 0.00 N ATOM 802 CA TRP A 51 30.191 -4.072 -27.429 1.00 0.00 C ATOM 803 C TRP A 51 30.387 -2.643 -27.972 1.00 0.00 C ATOM 804 O TRP A 51 29.870 -2.315 -29.032 1.00 0.00 O ATOM 805 CB TRP A 51 28.697 -4.490 -27.525 1.00 0.00 C ATOM 806 CG TRP A 51 28.451 -5.940 -27.193 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.019 -6.458 -26.006 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.638 -7.055 -28.075 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.931 -7.820 -26.094 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.301 -8.213 -27.353 1.00 0.00 C ATOM 811 CE3 TRP A 51 29.050 -7.185 -29.406 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.372 -9.484 -27.914 1.00 0.00 C ATOM 813 CZ3 TRP A 51 29.118 -8.447 -29.962 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.778 -9.584 -29.217 1.00 0.00 C ATOM 0 H TRP A 51 29.938 -3.972 -25.341 1.00 0.00 H new ATOM 0 HA TRP A 51 30.793 -4.740 -28.045 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.110 -3.867 -26.850 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.337 -4.291 -28.535 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.782 -5.878 -25.127 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.637 -8.444 -25.342 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.310 -6.313 -29.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.115 -10.362 -27.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.438 -8.560 -30.987 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.838 -10.558 -29.680 1.00 0.00 H new ATOM 825 N LYS A 52 31.085 -1.792 -27.198 1.00 0.00 N ATOM 826 CA LYS A 52 31.490 -0.413 -27.600 1.00 0.00 C ATOM 827 C LYS A 52 30.269 0.485 -27.940 1.00 0.00 C ATOM 828 O LYS A 52 30.389 1.505 -28.635 1.00 0.00 O ATOM 829 CB LYS A 52 32.541 -0.441 -28.756 1.00 0.00 C ATOM 830 CG LYS A 52 33.796 -1.306 -28.476 1.00 0.00 C ATOM 831 CD LYS A 52 34.510 -0.981 -27.134 1.00 0.00 C ATOM 832 CE LYS A 52 35.009 0.476 -27.027 1.00 0.00 C ATOM 833 NZ LYS A 52 35.986 0.822 -28.093 1.00 0.00 N ATOM 0 H LYS A 52 31.394 -2.038 -26.257 1.00 0.00 H new ATOM 0 HA LYS A 52 31.973 0.043 -26.736 1.00 0.00 H new ATOM 0 HB2 LYS A 52 32.056 -0.812 -29.659 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.860 0.581 -28.962 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.506 -2.357 -28.475 1.00 0.00 H new ATOM 0 HG3 LYS A 52 34.505 -1.172 -29.293 1.00 0.00 H new ATOM 0 HD2 LYS A 52 33.824 -1.181 -26.311 1.00 0.00 H new ATOM 0 HD3 LYS A 52 35.358 -1.655 -27.013 1.00 0.00 H new ATOM 0 HE2 LYS A 52 34.157 1.154 -27.085 1.00 0.00 H new ATOM 0 HE3 LYS A 52 35.471 0.628 -26.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 36.291 1.810 -27.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 36.812 0.195 -28.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 35.539 0.704 -29.025 1.00 0.00 H new ATOM 847 N LEU A 53 29.103 0.110 -27.372 1.00 0.00 N ATOM 848 CA LEU A 53 27.849 0.886 -27.456 1.00 0.00 C ATOM 849 C LEU A 53 27.848 2.010 -26.377 1.00 0.00 C ATOM 850 O LEU A 53 26.865 2.745 -26.228 1.00 0.00 O ATOM 851 CB LEU A 53 26.632 -0.058 -27.253 1.00 0.00 C ATOM 852 CG LEU A 53 26.635 -1.391 -28.068 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.462 -2.291 -27.645 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.621 -1.148 -29.591 1.00 0.00 C ATOM 0 H LEU A 53 29.006 -0.752 -26.835 1.00 0.00 H new ATOM 0 HA LEU A 53 27.776 1.347 -28.441 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.567 -0.307 -26.194 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.727 0.494 -27.507 1.00 0.00 H new ATOM 0 HG LEU A 53 27.569 -1.904 -27.838 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.484 -3.213 -28.225 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.549 -2.527 -26.584 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.521 -1.771 -27.825 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.624 -2.105 -30.112 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.725 -0.590 -29.862 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.504 -0.577 -29.876 1.00 0.00 H new ATOM 866 N THR A 54 28.964 2.087 -25.613 1.00 0.00 N ATOM 867 CA THR A 54 29.229 3.131 -24.604 1.00 0.00 C ATOM 868 C THR A 54 29.490 4.520 -25.246 1.00 0.00 C ATOM 869 O THR A 54 29.474 5.540 -24.544 1.00 0.00 O ATOM 870 CB THR A 54 30.447 2.699 -23.706 1.00 0.00 C ATOM 871 OG1 THR A 54 30.744 3.682 -22.694 1.00 0.00 O ATOM 872 CG2 THR A 54 31.714 2.426 -24.536 1.00 0.00 C ATOM 0 H THR A 54 29.721 1.407 -25.686 1.00 0.00 H new ATOM 0 HA THR A 54 28.336 3.233 -23.987 1.00 0.00 H new ATOM 0 HB THR A 54 30.143 1.772 -23.220 1.00 0.00 H new ATOM 0 HG1 THR A 54 30.385 4.552 -22.968 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.527 2.131 -23.873 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.517 1.624 -25.247 1.00 0.00 H new ATOM 0 HG23 THR A 54 31.996 3.329 -25.077 1.00 0.00 H new ATOM 880 N GLY A 55 29.729 4.547 -26.576 1.00 0.00 N ATOM 881 CA GLY A 55 29.949 5.802 -27.311 1.00 0.00 C ATOM 882 C GLY A 55 28.652 6.534 -27.644 1.00 0.00 C ATOM 883 O GLY A 55 27.582 6.185 -27.123 1.00 0.00 O ATOM 0 H GLY A 55 29.773 3.711 -27.158 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.587 6.457 -26.718 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.485 5.586 -28.235 1.00 0.00 H new ATOM 887 N THR A 56 28.745 7.558 -28.511 1.00 0.00 N ATOM 888 CA THR A 56 27.564 8.265 -29.024 1.00 0.00 C ATOM 889 C THR A 56 26.897 7.402 -30.110 1.00 0.00 C ATOM 890 O THR A 56 27.581 6.895 -31.012 1.00 0.00 O ATOM 891 CB THR A 56 27.911 9.699 -29.572 1.00 0.00 C ATOM 892 OG1 THR A 56 26.716 10.358 -30.019 1.00 0.00 O ATOM 893 CG2 THR A 56 28.941 9.690 -30.716 1.00 0.00 C ATOM 0 H THR A 56 29.631 7.913 -28.871 1.00 0.00 H new ATOM 0 HA THR A 56 26.870 8.419 -28.197 1.00 0.00 H new ATOM 0 HB THR A 56 28.363 10.239 -28.740 1.00 0.00 H new ATOM 0 HG1 THR A 56 26.941 11.250 -30.357 1.00 0.00 H new ATOM 0 HG21 THR A 56 29.131 10.712 -31.043 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.871 9.243 -30.365 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.552 9.108 -31.552 1.00 0.00 H new ATOM 901 N ASN A 57 25.562 7.224 -30.000 1.00 0.00 N ATOM 902 CA ASN A 57 24.777 6.322 -30.883 1.00 0.00 C ATOM 903 C ASN A 57 24.937 6.658 -32.371 1.00 0.00 C ATOM 904 O ASN A 57 24.776 5.770 -33.210 1.00 0.00 O ATOM 905 CB ASN A 57 23.276 6.300 -30.482 1.00 0.00 C ATOM 906 CG ASN A 57 22.976 5.470 -29.226 1.00 0.00 C ATOM 907 OD1 ASN A 57 23.809 5.343 -28.325 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.776 4.897 -29.151 1.00 0.00 N ATOM 0 H ASN A 57 24.995 7.700 -29.298 1.00 0.00 H new ATOM 0 HA ASN A 57 25.188 5.323 -30.738 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.940 7.324 -30.317 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.694 5.904 -31.314 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.528 4.338 -28.335 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.105 5.017 -29.910 1.00 0.00 H new ATOM 915 N LYS A 58 25.266 7.930 -32.681 1.00 0.00 N ATOM 916 CA LYS A 58 25.552 8.380 -34.061 1.00 0.00 C ATOM 917 C LYS A 58 26.742 7.588 -34.651 1.00 0.00 C ATOM 918 O LYS A 58 26.609 6.922 -35.694 1.00 0.00 O ATOM 919 CB LYS A 58 25.847 9.906 -34.072 1.00 0.00 C ATOM 920 CG LYS A 58 26.068 10.514 -35.478 1.00 0.00 C ATOM 921 CD LYS A 58 26.394 12.038 -35.470 1.00 0.00 C ATOM 922 CE LYS A 58 25.197 12.950 -35.089 1.00 0.00 C ATOM 923 NZ LYS A 58 24.807 12.852 -33.655 1.00 0.00 N ATOM 0 H LYS A 58 25.341 8.672 -31.985 1.00 0.00 H new ATOM 0 HA LYS A 58 24.677 8.191 -34.683 1.00 0.00 H new ATOM 0 HB2 LYS A 58 25.017 10.426 -33.593 1.00 0.00 H new ATOM 0 HB3 LYS A 58 26.733 10.095 -33.466 1.00 0.00 H new ATOM 0 HG2 LYS A 58 26.884 9.982 -35.968 1.00 0.00 H new ATOM 0 HG3 LYS A 58 25.173 10.348 -36.078 1.00 0.00 H new ATOM 0 HD2 LYS A 58 27.209 12.219 -34.770 1.00 0.00 H new ATOM 0 HD3 LYS A 58 26.753 12.325 -36.458 1.00 0.00 H new ATOM 0 HE2 LYS A 58 25.452 13.985 -35.318 1.00 0.00 H new ATOM 0 HE3 LYS A 58 24.340 12.688 -35.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 24.619 13.804 -33.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 23.950 12.270 -33.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 25.580 12.414 -33.114 1.00 0.00 H new ATOM 937 N SER A 59 27.881 7.612 -33.928 1.00 0.00 N ATOM 938 CA SER A 59 29.119 6.930 -34.353 1.00 0.00 C ATOM 939 C SER A 59 28.939 5.401 -34.347 1.00 0.00 C ATOM 940 O SER A 59 29.470 4.715 -35.222 1.00 0.00 O ATOM 941 CB SER A 59 30.295 7.331 -33.432 1.00 0.00 C ATOM 942 OG SER A 59 30.493 8.738 -33.442 1.00 0.00 O ATOM 0 H SER A 59 27.967 8.102 -33.038 1.00 0.00 H new ATOM 0 HA SER A 59 29.344 7.242 -35.373 1.00 0.00 H new ATOM 0 HB2 SER A 59 30.095 6.996 -32.414 1.00 0.00 H new ATOM 0 HB3 SER A 59 31.206 6.830 -33.760 1.00 0.00 H new ATOM 0 HG SER A 59 31.240 8.967 -32.851 1.00 0.00 H new ATOM 948 N ILE A 60 28.154 4.893 -33.374 1.00 0.00 N ATOM 949 CA ILE A 60 27.914 3.448 -33.210 1.00 0.00 C ATOM 950 C ILE A 60 27.142 2.866 -34.418 1.00 0.00 C ATOM 951 O ILE A 60 27.591 1.907 -35.023 1.00 0.00 O ATOM 952 CB ILE A 60 27.119 3.145 -31.891 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.842 3.742 -30.642 1.00 0.00 C ATOM 954 CG2 ILE A 60 26.906 1.624 -31.714 1.00 0.00 C ATOM 955 CD1 ILE A 60 26.994 3.764 -29.384 1.00 0.00 C ATOM 0 H ILE A 60 27.672 5.471 -32.685 1.00 0.00 H new ATOM 0 HA ILE A 60 28.892 2.971 -33.150 1.00 0.00 H new ATOM 0 HB ILE A 60 26.144 3.624 -31.978 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.745 3.163 -30.448 1.00 0.00 H new ATOM 0 HG13 ILE A 60 28.159 4.760 -30.871 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.353 1.439 -30.793 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.341 1.235 -32.561 1.00 0.00 H new ATOM 0 HG23 ILE A 60 27.874 1.125 -31.663 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.570 4.193 -28.564 1.00 0.00 H new ATOM 0 HD12 ILE A 60 26.103 4.368 -29.556 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.699 2.747 -29.126 1.00 0.00 H new ATOM 967 N ARG A 61 25.985 3.460 -34.765 1.00 0.00 N ATOM 968 CA ARG A 61 25.152 2.972 -35.895 1.00 0.00 C ATOM 969 C ARG A 61 25.850 3.229 -37.252 1.00 0.00 C ATOM 970 O ARG A 61 25.615 2.504 -38.222 1.00 0.00 O ATOM 971 CB ARG A 61 23.738 3.623 -35.877 1.00 0.00 C ATOM 972 CG ARG A 61 23.738 5.152 -36.082 1.00 0.00 C ATOM 973 CD ARG A 61 22.337 5.775 -36.019 1.00 0.00 C ATOM 974 NE ARG A 61 21.498 5.372 -37.160 1.00 0.00 N ATOM 975 CZ ARG A 61 21.108 6.180 -38.163 1.00 0.00 C ATOM 976 NH1 ARG A 61 21.576 7.422 -38.266 1.00 0.00 N ATOM 977 NH2 ARG A 61 20.271 5.722 -39.078 1.00 0.00 N ATOM 0 H ARG A 61 25.602 4.275 -34.286 1.00 0.00 H new ATOM 0 HA ARG A 61 25.030 1.896 -35.771 1.00 0.00 H new ATOM 0 HB2 ARG A 61 23.130 3.164 -36.657 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.259 3.396 -34.924 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.367 5.613 -35.321 1.00 0.00 H new ATOM 0 HG3 ARG A 61 24.187 5.382 -37.048 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.851 5.478 -35.090 1.00 0.00 H new ATOM 0 HD3 ARG A 61 22.425 6.861 -36.000 1.00 0.00 H new ATOM 0 HE ARG A 61 21.187 4.401 -37.193 1.00 0.00 H new ATOM 0 HH11 ARG A 61 22.241 7.775 -37.578 1.00 0.00 H new ATOM 0 HH12 ARG A 61 21.269 8.021 -39.033 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.926 4.764 -39.020 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.970 6.327 -39.842 1.00 0.00 H new ATOM 991 N LYS A 62 26.705 4.270 -37.302 1.00 0.00 N ATOM 992 CA LYS A 62 27.443 4.650 -38.522 1.00 0.00 C ATOM 993 C LYS A 62 28.575 3.639 -38.818 1.00 0.00 C ATOM 994 O LYS A 62 28.726 3.168 -39.951 1.00 0.00 O ATOM 995 CB LYS A 62 28.031 6.079 -38.348 1.00 0.00 C ATOM 996 CG LYS A 62 28.637 6.708 -39.622 1.00 0.00 C ATOM 997 CD LYS A 62 29.248 8.107 -39.363 1.00 0.00 C ATOM 998 CE LYS A 62 29.680 8.823 -40.660 1.00 0.00 C ATOM 999 NZ LYS A 62 30.727 8.073 -41.413 1.00 0.00 N ATOM 0 H LYS A 62 26.903 4.869 -36.500 1.00 0.00 H new ATOM 0 HA LYS A 62 26.754 4.641 -39.366 1.00 0.00 H new ATOM 0 HB2 LYS A 62 27.242 6.735 -37.980 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.802 6.044 -37.579 1.00 0.00 H new ATOM 0 HG2 LYS A 62 29.408 6.047 -40.018 1.00 0.00 H new ATOM 0 HG3 LYS A 62 27.864 6.789 -40.386 1.00 0.00 H new ATOM 0 HD2 LYS A 62 28.519 8.725 -38.838 1.00 0.00 H new ATOM 0 HD3 LYS A 62 30.111 8.005 -38.705 1.00 0.00 H new ATOM 0 HE2 LYS A 62 28.809 8.963 -41.300 1.00 0.00 H new ATOM 0 HE3 LYS A 62 30.057 9.816 -40.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 30.979 8.599 -42.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 31.571 7.961 -40.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 30.362 7.135 -41.675 1.00 0.00 H new ATOM 1013 N ASN A 63 29.345 3.301 -37.771 1.00 0.00 N ATOM 1014 CA ASN A 63 30.575 2.477 -37.886 1.00 0.00 C ATOM 1015 C ASN A 63 30.253 0.981 -37.777 1.00 0.00 C ATOM 1016 O ASN A 63 30.752 0.163 -38.560 1.00 0.00 O ATOM 1017 CB ASN A 63 31.593 2.879 -36.782 1.00 0.00 C ATOM 1018 CG ASN A 63 32.259 4.259 -36.971 1.00 0.00 C ATOM 1019 OD1 ASN A 63 31.543 5.243 -37.509 1.00 0.00 O flip ATOM 1020 ND2 ASN A 63 33.419 4.442 -36.598 1.00 0.00 N flip ATOM 0 H ASN A 63 29.137 3.589 -36.815 1.00 0.00 H new ATOM 0 HA ASN A 63 31.013 2.662 -38.867 1.00 0.00 H new ATOM 0 HB2 ASN A 63 31.083 2.869 -35.819 1.00 0.00 H new ATOM 0 HB3 ASN A 63 32.374 2.120 -36.737 1.00 0.00 H new ATOM 0 HD21 ASN A 63 33.950 3.674 -36.188 1.00 0.00 H new ATOM 0 HD22 ASN A 63 33.848 5.362 -36.699 1.00 0.00 H new ATOM 1027 N ARG A 64 29.428 0.641 -36.787 1.00 0.00 N ATOM 1028 CA ARG A 64 29.014 -0.746 -36.510 1.00 0.00 C ATOM 1029 C ARG A 64 27.741 -1.079 -37.283 1.00 0.00 C ATOM 1030 O ARG A 64 26.908 -0.201 -37.558 1.00 0.00 O ATOM 1031 CB ARG A 64 28.797 -0.974 -34.992 1.00 0.00 C ATOM 1032 CG ARG A 64 30.050 -0.707 -34.138 1.00 0.00 C ATOM 1033 CD ARG A 64 29.795 -0.825 -32.626 1.00 0.00 C ATOM 1034 NE ARG A 64 29.329 -2.172 -32.222 1.00 0.00 N ATOM 1035 CZ ARG A 64 30.126 -3.172 -31.797 1.00 0.00 C ATOM 1036 NH1 ARG A 64 31.449 -3.067 -31.853 1.00 0.00 N ATOM 1037 NH2 ARG A 64 29.586 -4.282 -31.306 1.00 0.00 N ATOM 0 H ARG A 64 29.021 1.322 -36.146 1.00 0.00 H new ATOM 0 HA ARG A 64 29.813 -1.410 -36.838 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.990 -0.327 -34.649 1.00 0.00 H new ATOM 0 HB3 ARG A 64 28.471 -2.002 -34.831 1.00 0.00 H new ATOM 0 HG2 ARG A 64 30.832 -1.411 -34.423 1.00 0.00 H new ATOM 0 HG3 ARG A 64 30.425 0.292 -34.359 1.00 0.00 H new ATOM 0 HD2 ARG A 64 30.713 -0.588 -32.088 1.00 0.00 H new ATOM 0 HD3 ARG A 64 29.052 -0.085 -32.329 1.00 0.00 H new ATOM 0 HE ARG A 64 28.327 -2.357 -32.269 1.00 0.00 H new ATOM 0 HH11 ARG A 64 31.878 -2.219 -32.222 1.00 0.00 H new ATOM 0 HH12 ARG A 64 32.036 -3.835 -31.526 1.00 0.00 H new ATOM 0 HH21 ARG A 64 28.572 -4.375 -31.252 1.00 0.00 H new ATOM 0 HH22 ARG A 64 30.186 -5.041 -30.983 1.00 0.00 H new ATOM 1051 N ASN A 65 27.595 -2.361 -37.607 1.00 0.00 N ATOM 1052 CA ASN A 65 26.471 -2.876 -38.411 1.00 0.00 C ATOM 1053 C ASN A 65 25.466 -3.586 -37.512 1.00 0.00 C ATOM 1054 O ASN A 65 25.753 -3.853 -36.336 1.00 0.00 O ATOM 1055 CB ASN A 65 26.987 -3.831 -39.520 1.00 0.00 C ATOM 1056 CG ASN A 65 27.929 -3.130 -40.502 1.00 0.00 C ATOM 1057 OD1 ASN A 65 27.499 -2.580 -41.515 1.00 0.00 O ATOM 1058 ND2 ASN A 65 29.215 -3.116 -40.188 1.00 0.00 N ATOM 0 H ASN A 65 28.255 -3.084 -37.320 1.00 0.00 H new ATOM 0 HA ASN A 65 25.972 -2.036 -38.894 1.00 0.00 H new ATOM 0 HB2 ASN A 65 27.507 -4.671 -39.059 1.00 0.00 H new ATOM 0 HB3 ASN A 65 26.138 -4.242 -40.066 1.00 0.00 H new ATOM 0 HD21 ASN A 65 29.883 -2.639 -40.794 1.00 0.00 H new ATOM 0 HD22 ASN A 65 29.538 -3.582 -39.340 1.00 0.00 H new ATOM 1065 N CYS A 66 24.296 -3.914 -38.091 1.00 0.00 N ATOM 1066 CA CYS A 66 23.208 -4.611 -37.387 1.00 0.00 C ATOM 1067 C CYS A 66 23.671 -5.978 -36.866 1.00 0.00 C ATOM 1068 O CYS A 66 23.188 -6.423 -35.838 1.00 0.00 O ATOM 1069 CB CYS A 66 21.985 -4.766 -38.317 1.00 0.00 C ATOM 1070 SG CYS A 66 22.299 -5.729 -39.810 1.00 0.00 S ATOM 0 H CYS A 66 24.080 -3.701 -39.065 1.00 0.00 H new ATOM 0 HA CYS A 66 22.918 -4.009 -36.525 1.00 0.00 H new ATOM 0 HB2 CYS A 66 21.177 -5.238 -37.758 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.636 -3.775 -38.606 1.00 0.00 H new ATOM 0 HG CYS A 66 21.211 -5.800 -40.517 1.00 0.00 H new ATOM 1076 N SER A 67 24.644 -6.597 -37.576 1.00 0.00 N ATOM 1077 CA SER A 67 25.268 -7.888 -37.196 1.00 0.00 C ATOM 1078 C SER A 67 25.759 -7.892 -35.729 1.00 0.00 C ATOM 1079 O SER A 67 25.512 -8.843 -34.976 1.00 0.00 O ATOM 1080 CB SER A 67 26.452 -8.181 -38.147 1.00 0.00 C ATOM 1081 OG SER A 67 26.036 -8.150 -39.500 1.00 0.00 O ATOM 0 H SER A 67 25.023 -6.209 -38.440 1.00 0.00 H new ATOM 0 HA SER A 67 24.509 -8.665 -37.285 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.241 -7.446 -37.988 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.876 -9.158 -37.915 1.00 0.00 H new ATOM 0 HG SER A 67 26.802 -8.336 -40.082 1.00 0.00 H new ATOM 1087 N GLN A 68 26.434 -6.794 -35.347 1.00 0.00 N ATOM 1088 CA GLN A 68 26.973 -6.588 -33.987 1.00 0.00 C ATOM 1089 C GLN A 68 25.853 -6.461 -32.952 1.00 0.00 C ATOM 1090 O GLN A 68 25.984 -6.934 -31.822 1.00 0.00 O ATOM 1091 CB GLN A 68 27.856 -5.313 -33.954 1.00 0.00 C ATOM 1092 CG GLN A 68 29.176 -5.437 -34.736 1.00 0.00 C ATOM 1093 CD GLN A 68 30.112 -6.535 -34.200 1.00 0.00 C ATOM 1094 OE1 GLN A 68 30.087 -6.787 -32.885 1.00 0.00 O flip ATOM 1095 NE2 GLN A 68 30.866 -7.145 -34.958 1.00 0.00 N flip ATOM 0 H GLN A 68 26.624 -6.016 -35.978 1.00 0.00 H new ATOM 0 HA GLN A 68 27.574 -7.461 -33.733 1.00 0.00 H new ATOM 0 HB2 GLN A 68 27.284 -4.478 -34.359 1.00 0.00 H new ATOM 0 HB3 GLN A 68 28.083 -5.069 -32.916 1.00 0.00 H new ATOM 0 HG2 GLN A 68 28.950 -5.643 -35.782 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.698 -4.480 -34.705 1.00 0.00 H new ATOM 0 HE21 GLN A 68 30.866 -6.934 -35.956 1.00 0.00 H new ATOM 0 HE22 GLN A 68 31.491 -7.861 -34.588 1.00 0.00 H new ATOM 1104 N LEU A 69 24.777 -5.795 -33.365 1.00 0.00 N ATOM 1105 CA LEU A 69 23.601 -5.519 -32.529 1.00 0.00 C ATOM 1106 C LEU A 69 22.768 -6.791 -32.276 1.00 0.00 C ATOM 1107 O LEU A 69 22.187 -6.943 -31.199 1.00 0.00 O ATOM 1108 CB LEU A 69 22.744 -4.414 -33.208 1.00 0.00 C ATOM 1109 CG LEU A 69 23.225 -2.936 -33.027 1.00 0.00 C ATOM 1110 CD1 LEU A 69 24.698 -2.710 -33.448 1.00 0.00 C ATOM 1111 CD2 LEU A 69 22.293 -1.989 -33.797 1.00 0.00 C ATOM 0 H LEU A 69 24.692 -5.422 -34.311 1.00 0.00 H new ATOM 0 HA LEU A 69 23.938 -5.169 -31.554 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.698 -4.628 -34.276 1.00 0.00 H new ATOM 0 HB3 LEU A 69 21.727 -4.489 -32.824 1.00 0.00 H new ATOM 0 HG LEU A 69 23.181 -2.718 -31.960 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.963 -1.664 -33.296 1.00 0.00 H new ATOM 0 HD12 LEU A 69 25.350 -3.341 -32.844 1.00 0.00 H new ATOM 0 HD13 LEU A 69 24.819 -2.966 -34.501 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.632 -0.961 -33.668 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.308 -2.246 -34.856 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.277 -2.087 -33.414 1.00 0.00 H new ATOM 1123 N ILE A 70 22.722 -7.699 -33.271 1.00 0.00 N ATOM 1124 CA ILE A 70 22.040 -9.005 -33.127 1.00 0.00 C ATOM 1125 C ILE A 70 22.834 -9.859 -32.141 1.00 0.00 C ATOM 1126 O ILE A 70 22.276 -10.433 -31.213 1.00 0.00 O ATOM 1127 CB ILE A 70 21.930 -9.790 -34.486 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.328 -8.895 -35.604 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.090 -11.090 -34.311 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.526 -9.419 -37.014 1.00 0.00 C ATOM 0 H ILE A 70 23.149 -7.553 -34.186 1.00 0.00 H new ATOM 0 HA ILE A 70 21.027 -8.809 -32.776 1.00 0.00 H new ATOM 0 HB ILE A 70 22.938 -10.073 -34.788 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.260 -8.779 -35.421 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.773 -7.902 -35.534 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.029 -11.615 -35.264 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.566 -11.734 -33.572 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.086 -10.832 -33.974 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.073 -8.729 -37.726 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.592 -9.508 -37.223 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.055 -10.398 -37.108 1.00 0.00 H new ATOM 1142 N ALA A 71 24.162 -9.904 -32.369 1.00 0.00 N ATOM 1143 CA ALA A 71 25.116 -10.632 -31.517 1.00 0.00 C ATOM 1144 C ALA A 71 25.070 -10.125 -30.065 1.00 0.00 C ATOM 1145 O ALA A 71 25.170 -10.910 -29.127 1.00 0.00 O ATOM 1146 CB ALA A 71 26.533 -10.507 -32.095 1.00 0.00 C ATOM 0 H ALA A 71 24.604 -9.431 -33.157 1.00 0.00 H new ATOM 0 HA ALA A 71 24.832 -11.684 -31.503 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.234 -11.048 -31.460 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.554 -10.928 -33.100 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.818 -9.456 -32.136 1.00 0.00 H new ATOM 1152 N ALA A 72 24.893 -8.805 -29.913 1.00 0.00 N ATOM 1153 CA ALA A 72 24.766 -8.144 -28.603 1.00 0.00 C ATOM 1154 C ALA A 72 23.425 -8.486 -27.907 1.00 0.00 C ATOM 1155 O ALA A 72 23.415 -8.787 -26.716 1.00 0.00 O ATOM 1156 CB ALA A 72 24.928 -6.626 -28.760 1.00 0.00 C ATOM 0 H ALA A 72 24.833 -8.160 -30.701 1.00 0.00 H new ATOM 0 HA ALA A 72 25.562 -8.522 -27.962 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.832 -6.147 -27.785 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.911 -6.406 -29.177 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.156 -6.245 -29.429 1.00 0.00 H new ATOM 1162 N TYR A 73 22.299 -8.451 -28.656 1.00 0.00 N ATOM 1163 CA TYR A 73 20.952 -8.731 -28.083 1.00 0.00 C ATOM 1164 C TYR A 73 20.852 -10.211 -27.667 1.00 0.00 C ATOM 1165 O TYR A 73 20.260 -10.539 -26.626 1.00 0.00 O ATOM 1166 CB TYR A 73 19.817 -8.370 -29.079 1.00 0.00 C ATOM 1167 CG TYR A 73 18.412 -8.337 -28.440 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.934 -7.176 -27.830 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.567 -9.460 -28.435 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.684 -7.130 -27.244 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.311 -9.414 -27.849 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.877 -8.243 -27.254 1.00 0.00 C ATOM 1173 OH TYR A 73 14.627 -8.182 -26.670 1.00 0.00 O ATOM 0 H TYR A 73 22.290 -8.234 -29.653 1.00 0.00 H new ATOM 0 HA TYR A 73 20.826 -8.101 -27.202 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.029 -7.395 -29.518 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.818 -9.094 -29.894 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.556 -6.293 -27.816 1.00 0.00 H new ATOM 0 HD2 TYR A 73 17.902 -10.377 -28.897 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.340 -6.219 -26.777 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.675 -10.287 -27.857 1.00 0.00 H new ATOM 0 HH TYR A 73 14.114 -8.982 -26.911 1.00 0.00 H new ATOM 1183 N LYS A 74 21.451 -11.093 -28.495 1.00 0.00 N ATOM 1184 CA LYS A 74 21.585 -12.527 -28.192 1.00 0.00 C ATOM 1185 C LYS A 74 22.415 -12.701 -26.923 1.00 0.00 C ATOM 1186 O LYS A 74 21.962 -13.323 -25.975 1.00 0.00 O ATOM 1187 CB LYS A 74 22.234 -13.314 -29.368 1.00 0.00 C ATOM 1188 CG LYS A 74 21.335 -13.447 -30.614 1.00 0.00 C ATOM 1189 CD LYS A 74 21.918 -14.386 -31.699 1.00 0.00 C ATOM 1190 CE LYS A 74 23.185 -13.827 -32.364 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.758 -14.776 -33.354 1.00 0.00 N ATOM 0 H LYS A 74 21.855 -10.827 -29.393 1.00 0.00 H new ATOM 0 HA LYS A 74 20.585 -12.935 -28.043 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.161 -12.817 -29.654 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.501 -14.311 -29.019 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.357 -13.820 -30.309 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.178 -12.459 -31.046 1.00 0.00 H new ATOM 0 HD2 LYS A 74 22.147 -15.352 -31.249 1.00 0.00 H new ATOM 0 HD3 LYS A 74 21.161 -14.562 -32.464 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.949 -12.885 -32.859 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.930 -13.608 -31.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.611 -14.361 -33.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 24.007 -15.666 -32.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 23.057 -14.966 -34.099 1.00 0.00 H new ATOM 1205 N ASP A 75 23.596 -12.063 -26.898 1.00 0.00 N ATOM 1206 CA ASP A 75 24.544 -12.168 -25.771 1.00 0.00 C ATOM 1207 C ASP A 75 23.907 -11.672 -24.463 1.00 0.00 C ATOM 1208 O ASP A 75 24.198 -12.194 -23.421 1.00 0.00 O ATOM 1209 CB ASP A 75 25.850 -11.388 -26.073 1.00 0.00 C ATOM 1210 CG ASP A 75 26.917 -11.452 -24.955 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.185 -12.552 -24.425 1.00 0.00 O ATOM 1212 OD2 ASP A 75 27.512 -10.404 -24.614 1.00 0.00 O ATOM 0 H ASP A 75 23.922 -11.461 -27.654 1.00 0.00 H new ATOM 0 HA ASP A 75 24.796 -13.221 -25.645 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.285 -11.778 -26.993 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.599 -10.343 -26.257 1.00 0.00 H new ATOM 1217 N PHE A 76 23.006 -10.694 -24.540 1.00 0.00 N ATOM 1218 CA PHE A 76 22.258 -10.191 -23.365 1.00 0.00 C ATOM 1219 C PHE A 76 21.297 -11.291 -22.860 1.00 0.00 C ATOM 1220 O PHE A 76 21.370 -11.731 -21.689 1.00 0.00 O ATOM 1221 CB PHE A 76 21.508 -8.878 -23.757 1.00 0.00 C ATOM 1222 CG PHE A 76 20.923 -8.058 -22.599 1.00 0.00 C ATOM 1223 CD1 PHE A 76 21.586 -7.961 -21.372 1.00 0.00 C ATOM 1224 CD2 PHE A 76 19.717 -7.365 -22.746 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.065 -7.204 -20.337 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.196 -6.607 -21.708 1.00 0.00 C ATOM 1227 CZ PHE A 76 19.868 -6.528 -20.503 1.00 0.00 C ATOM 0 H PHE A 76 22.767 -10.222 -25.412 1.00 0.00 H new ATOM 0 HA PHE A 76 22.938 -9.951 -22.548 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.198 -8.242 -24.312 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.696 -9.137 -24.437 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.520 -8.485 -21.229 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.183 -7.421 -23.683 1.00 0.00 H new ATOM 0 HE1 PHE A 76 21.594 -7.140 -19.397 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.264 -6.078 -21.842 1.00 0.00 H new ATOM 0 HZ PHE A 76 19.461 -5.941 -19.693 1.00 0.00 H new ATOM 1237 N CYS A 77 20.472 -11.790 -23.798 1.00 0.00 N ATOM 1238 CA CYS A 77 19.445 -12.814 -23.534 1.00 0.00 C ATOM 1239 C CYS A 77 20.060 -14.130 -22.993 1.00 0.00 C ATOM 1240 O CYS A 77 19.447 -14.824 -22.172 1.00 0.00 O ATOM 1241 CB CYS A 77 18.636 -13.080 -24.821 1.00 0.00 C ATOM 1242 SG CYS A 77 17.255 -14.226 -24.612 1.00 0.00 S ATOM 0 H CYS A 77 20.500 -11.490 -24.772 1.00 0.00 H new ATOM 0 HA CYS A 77 18.780 -12.433 -22.759 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.251 -12.132 -25.196 1.00 0.00 H new ATOM 0 HB3 CYS A 77 19.308 -13.475 -25.583 1.00 0.00 H new ATOM 0 HG CYS A 77 16.642 -14.379 -25.748 1.00 0.00 H new ATOM 1248 N GLU A 78 21.288 -14.433 -23.439 1.00 0.00 N ATOM 1249 CA GLU A 78 22.005 -15.675 -23.085 1.00 0.00 C ATOM 1250 C GLU A 78 22.847 -15.490 -21.798 1.00 0.00 C ATOM 1251 O GLU A 78 22.930 -16.401 -20.974 1.00 0.00 O ATOM 1252 CB GLU A 78 22.899 -16.120 -24.270 1.00 0.00 C ATOM 1253 CG GLU A 78 22.139 -16.374 -25.596 1.00 0.00 C ATOM 1254 CD GLU A 78 21.043 -17.454 -25.506 1.00 0.00 C ATOM 1255 OE1 GLU A 78 21.379 -18.660 -25.506 1.00 0.00 O ATOM 1256 OE2 GLU A 78 19.839 -17.104 -25.434 1.00 0.00 O ATOM 0 H GLU A 78 21.818 -13.822 -24.060 1.00 0.00 H new ATOM 0 HA GLU A 78 21.270 -16.454 -22.884 1.00 0.00 H new ATOM 0 HB2 GLU A 78 23.657 -15.356 -24.442 1.00 0.00 H new ATOM 0 HB3 GLU A 78 23.425 -17.032 -23.988 1.00 0.00 H new ATOM 0 HG2 GLU A 78 21.685 -15.439 -25.925 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.857 -16.666 -26.362 1.00 0.00 H new ATOM 1263 N HIS A 79 23.445 -14.294 -21.629 1.00 0.00 N ATOM 1264 CA HIS A 79 24.308 -13.959 -20.455 1.00 0.00 C ATOM 1265 C HIS A 79 23.448 -13.568 -19.230 1.00 0.00 C ATOM 1266 O HIS A 79 23.990 -13.196 -18.179 1.00 0.00 O ATOM 1267 CB HIS A 79 25.312 -12.824 -20.829 1.00 0.00 C ATOM 1268 CG HIS A 79 26.430 -12.537 -19.858 1.00 0.00 C ATOM 1269 ND1 HIS A 79 26.873 -11.256 -19.574 1.00 0.00 N ATOM 1270 CD2 HIS A 79 27.243 -13.367 -19.158 1.00 0.00 C ATOM 1271 CE1 HIS A 79 27.894 -11.311 -18.743 1.00 0.00 C ATOM 1272 NE2 HIS A 79 28.137 -12.578 -18.474 1.00 0.00 N ATOM 0 H HIS A 79 23.350 -13.528 -22.295 1.00 0.00 H new ATOM 0 HA HIS A 79 24.882 -14.845 -20.182 1.00 0.00 H new ATOM 0 HB2 HIS A 79 25.758 -13.073 -21.792 1.00 0.00 H new ATOM 0 HB3 HIS A 79 24.744 -11.905 -20.969 1.00 0.00 H new ATOM 0 HD2 HIS A 79 27.197 -14.446 -19.141 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.438 -10.464 -18.350 1.00 0.00 H new ATOM 0 HE2 HIS A 79 28.873 -12.919 -17.856 1.00 0.00 H new ATOM 1281 N GLY A 80 22.103 -13.639 -19.361 1.00 0.00 N ATOM 1282 CA GLY A 80 21.232 -13.573 -18.178 1.00 0.00 C ATOM 1283 C GLY A 80 20.568 -12.226 -18.013 1.00 0.00 C ATOM 1284 O GLY A 80 20.615 -11.642 -16.928 1.00 0.00 O ATOM 0 H GLY A 80 21.613 -13.739 -20.250 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.465 -14.344 -18.254 1.00 0.00 H new ATOM 0 HA3 GLY A 80 21.820 -13.795 -17.287 1.00 0.00 H new ATOM 1288 N THR A 81 20.002 -11.729 -19.128 1.00 0.00 N ATOM 1289 CA THR A 81 19.432 -10.371 -19.269 1.00 0.00 C ATOM 1290 C THR A 81 18.653 -9.885 -18.026 1.00 0.00 C ATOM 1291 O THR A 81 17.689 -10.519 -17.579 1.00 0.00 O ATOM 1292 CB THR A 81 18.491 -10.308 -20.529 1.00 0.00 C ATOM 1293 OG1 THR A 81 17.714 -9.096 -20.540 1.00 0.00 O ATOM 1294 CG2 THR A 81 17.553 -11.520 -20.627 1.00 0.00 C ATOM 0 H THR A 81 19.925 -12.277 -19.985 1.00 0.00 H new ATOM 0 HA THR A 81 20.284 -9.701 -19.387 1.00 0.00 H new ATOM 0 HB THR A 81 19.149 -10.323 -21.398 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.265 -8.357 -20.873 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.927 -11.425 -21.514 1.00 0.00 H new ATOM 0 HG22 THR A 81 18.144 -12.433 -20.697 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.921 -11.564 -19.740 1.00 0.00 H new ATOM 1302 N LYS A 82 19.114 -8.739 -17.482 1.00 0.00 N ATOM 1303 CA LYS A 82 18.531 -8.103 -16.290 1.00 0.00 C ATOM 1304 C LYS A 82 17.260 -7.292 -16.639 1.00 0.00 C ATOM 1305 O LYS A 82 16.710 -6.578 -15.790 1.00 0.00 O ATOM 1306 CB LYS A 82 19.589 -7.219 -15.578 1.00 0.00 C ATOM 1307 CG LYS A 82 20.162 -6.065 -16.434 1.00 0.00 C ATOM 1308 CD LYS A 82 21.133 -5.153 -15.643 1.00 0.00 C ATOM 1309 CE LYS A 82 20.471 -4.505 -14.407 1.00 0.00 C ATOM 1310 NZ LYS A 82 21.380 -3.567 -13.710 1.00 0.00 N ATOM 0 H LYS A 82 19.909 -8.227 -17.864 1.00 0.00 H new ATOM 0 HA LYS A 82 18.225 -8.892 -15.603 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.141 -6.796 -14.679 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.413 -7.855 -15.255 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.684 -6.482 -17.295 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.340 -5.463 -16.821 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.995 -5.738 -15.323 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.507 -4.369 -16.302 1.00 0.00 H new ATOM 0 HE2 LYS A 82 19.571 -3.973 -14.716 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.157 -5.286 -13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.581 -3.924 -12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.269 -3.485 -14.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.929 -2.632 -13.643 1.00 0.00 H new ATOM 1324 N SER A 83 16.811 -7.400 -17.908 1.00 0.00 N ATOM 1325 CA SER A 83 15.451 -7.013 -18.316 1.00 0.00 C ATOM 1326 C SER A 83 14.438 -8.081 -17.825 1.00 0.00 C ATOM 1327 O SER A 83 13.227 -7.840 -17.781 1.00 0.00 O ATOM 1328 CB SER A 83 15.381 -6.854 -19.850 1.00 0.00 C ATOM 1329 OG SER A 83 14.091 -6.437 -20.273 1.00 0.00 O ATOM 0 H SER A 83 17.382 -7.757 -18.674 1.00 0.00 H new ATOM 0 HA SER A 83 15.196 -6.055 -17.864 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.124 -6.126 -20.175 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.632 -7.801 -20.327 1.00 0.00 H new ATOM 0 HG SER A 83 14.101 -6.272 -21.239 1.00 0.00 H new ATOM 1335 N GLY A 84 14.975 -9.265 -17.450 1.00 0.00 N ATOM 1336 CA GLY A 84 14.178 -10.369 -16.912 1.00 0.00 C ATOM 1337 C GLY A 84 13.527 -11.215 -17.996 1.00 0.00 C ATOM 1338 O GLY A 84 12.512 -11.878 -17.747 1.00 0.00 O ATOM 0 H GLY A 84 15.972 -9.472 -17.515 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.815 -11.004 -16.297 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.404 -9.966 -16.259 1.00 0.00 H new ATOM 1342 N LEU A 85 14.117 -11.194 -19.209 1.00 0.00 N ATOM 1343 CA LEU A 85 13.603 -11.959 -20.358 1.00 0.00 C ATOM 1344 C LEU A 85 14.072 -13.426 -20.266 1.00 0.00 C ATOM 1345 O LEU A 85 15.083 -13.811 -20.872 1.00 0.00 O ATOM 1346 CB LEU A 85 14.044 -11.321 -21.712 1.00 0.00 C ATOM 1347 CG LEU A 85 13.675 -9.820 -21.934 1.00 0.00 C ATOM 1348 CD1 LEU A 85 14.178 -9.317 -23.308 1.00 0.00 C ATOM 1349 CD2 LEU A 85 12.154 -9.589 -21.769 1.00 0.00 C ATOM 0 H LEU A 85 14.955 -10.651 -19.416 1.00 0.00 H new ATOM 0 HA LEU A 85 12.514 -11.933 -20.325 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.126 -11.422 -21.799 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.604 -11.903 -22.522 1.00 0.00 H new ATOM 0 HG LEU A 85 14.181 -9.235 -21.166 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.906 -8.269 -23.434 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.262 -9.419 -23.358 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.721 -9.908 -24.101 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.927 -8.535 -21.929 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.613 -10.192 -22.498 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.849 -9.877 -20.763 1.00 0.00 H new ATOM 1361 N ASN A 86 13.371 -14.225 -19.444 1.00 0.00 N ATOM 1362 CA ASN A 86 13.540 -15.685 -19.416 1.00 0.00 C ATOM 1363 C ASN A 86 12.602 -16.287 -20.471 1.00 0.00 C ATOM 1364 O ASN A 86 11.537 -16.832 -20.155 1.00 0.00 O ATOM 1365 CB ASN A 86 13.274 -16.268 -17.993 1.00 0.00 C ATOM 1366 CG ASN A 86 14.298 -15.844 -16.923 1.00 0.00 C ATOM 1367 OD1 ASN A 86 15.546 -15.563 -17.310 1.00 0.00 O flip ATOM 1368 ND2 ASN A 86 13.970 -15.785 -15.737 1.00 0.00 N flip ATOM 0 H ASN A 86 12.675 -13.878 -18.784 1.00 0.00 H new ATOM 0 HA ASN A 86 14.571 -15.947 -19.652 1.00 0.00 H new ATOM 0 HB2 ASN A 86 12.280 -15.959 -17.668 1.00 0.00 H new ATOM 0 HB3 ASN A 86 13.265 -17.356 -18.057 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.013 -16.003 -15.461 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.656 -15.518 -15.031 1.00 0.00 H new ATOM 1375 N GLN A 87 12.997 -16.107 -21.740 1.00 0.00 N ATOM 1376 CA GLN A 87 12.189 -16.497 -22.900 1.00 0.00 C ATOM 1377 C GLN A 87 12.200 -18.036 -23.056 1.00 0.00 C ATOM 1378 O GLN A 87 13.267 -18.663 -22.991 1.00 0.00 O ATOM 1379 CB GLN A 87 12.722 -15.783 -24.178 1.00 0.00 C ATOM 1380 CG GLN A 87 11.819 -15.929 -25.412 1.00 0.00 C ATOM 1381 CD GLN A 87 12.293 -15.149 -26.647 1.00 0.00 C ATOM 1382 OE1 GLN A 87 11.345 -14.702 -27.460 1.00 0.00 O flip ATOM 1383 NE2 GLN A 87 13.489 -14.940 -26.860 1.00 0.00 N flip ATOM 0 H GLN A 87 13.891 -15.684 -21.989 1.00 0.00 H new ATOM 0 HA GLN A 87 11.155 -16.186 -22.751 1.00 0.00 H new ATOM 0 HB2 GLN A 87 12.850 -14.723 -23.960 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.709 -16.180 -24.416 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.748 -16.985 -25.671 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.814 -15.596 -25.152 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.192 -15.298 -26.214 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.775 -14.409 -27.682 1.00 0.00 H new ATOM 1392 N GLY A 88 11.006 -18.620 -23.242 1.00 0.00 N ATOM 1393 CA GLY A 88 10.822 -20.069 -23.306 1.00 0.00 C ATOM 1394 C GLY A 88 9.527 -20.475 -22.595 1.00 0.00 C ATOM 1395 O GLY A 88 8.476 -20.582 -23.260 1.00 0.00 O ATOM 1396 OXT GLY A 88 9.548 -20.635 -21.349 1.00 0.00 O ATOM 0 H GLY A 88 10.140 -18.093 -23.352 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.790 -20.392 -24.346 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.671 -20.571 -22.843 1.00 0.00 H new TER 1400 GLY A 88