USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 848 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 56 SER OG : rot 180:sc= 0.484 USER MOD Set 1.2: A 100 TYR OH : rot -69:sc= -2.86! USER MOD Set 2.1: A 41 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 69 THR OG1 : rot -169:sc= -4.65! USER MOD Set 3.1: A 17 ASN : amide:sc= -5.19! C(o=-9.5!,f=-19!) USER MOD Set 3.2: A 22 GLN : amide:sc= -4.29! C(o=-9.5!,f=-21!) USER MOD Single : A 26 GLN : amide:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -2.72! USER MOD Single : A 33 ASN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 36 SER OG : rot 39:sc= -1.6 USER MOD Single : A 37 ASN : amide:sc= -3.34! C(o=-3.3!,f=-8.2!) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= -1.21 (180deg=-2.52!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 170:sc= 0 USER MOD Single : A 49 SER OG : rot 178:sc= -0.114 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -3.26! C(o=-3.3!,f=-3.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0.11 USER MOD Single : A 63 GLN : amide:sc= -11.6! C(o=-12!,f=-21!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0964 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.108 USER MOD Single : A 75 SER OG : rot 76:sc= 0.447 USER MOD Single : A 79 GLN : amide:sc= -0.792 K(o=-0.79,f=-0.012) USER MOD Single : A 80 SER OG : rot 10:sc= 0.802 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 91 LYS NZ :NH3+ 153:sc= -0.0214 (180deg=-0.279) USER MOD Single : A 92 TYR OH : rot 153:sc= 1.16 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -4.55! USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0.051) USER MOD Single : A 107 GLN : amide:sc= -0.692 K(o=-0.69,f=-0.077) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 55:sc= -0.0619 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0766 X(o=-0.077,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -11.029 10.483 20.007 1.00 0.00 N ATOM 2 CA GLY A 9 -11.323 11.539 18.997 1.00 0.00 C ATOM 3 C GLY A 9 -10.508 11.272 17.730 1.00 0.00 C ATOM 4 O GLY A 9 -10.887 10.477 16.892 1.00 0.00 O ATOM 0 HA2 GLY A 9 -12.388 11.547 18.763 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.078 12.522 19.400 1.00 0.00 H new ATOM 7 N ALA A 10 -9.391 11.930 17.581 1.00 0.00 N ATOM 8 CA ALA A 10 -8.553 11.711 16.369 1.00 0.00 C ATOM 9 C ALA A 10 -8.303 10.212 16.188 1.00 0.00 C ATOM 10 O ALA A 10 -8.690 9.415 17.019 1.00 0.00 O ATOM 11 CB ALA A 10 -7.215 12.434 16.536 1.00 0.00 C ATOM 0 H ALA A 10 -9.023 12.610 18.246 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.070 12.103 15.493 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.602 12.274 15.649 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.392 13.502 16.667 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.697 12.042 17.411 1.00 0.00 H new ATOM 17 N PRO A 11 -7.661 9.877 15.101 1.00 0.00 N ATOM 18 CA PRO A 11 -7.322 8.469 14.746 1.00 0.00 C ATOM 19 C PRO A 11 -6.049 8.023 15.469 1.00 0.00 C ATOM 20 O PRO A 11 -5.331 8.822 16.036 1.00 0.00 O ATOM 21 CB PRO A 11 -7.102 8.538 13.242 1.00 0.00 C ATOM 22 CG PRO A 11 -6.732 9.982 12.908 1.00 0.00 C ATOM 23 CD PRO A 11 -7.186 10.863 14.077 1.00 0.00 C ATOM 0 HA PRO A 11 -8.091 7.752 15.032 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.308 7.857 12.937 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.003 8.237 12.707 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.657 10.075 12.754 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.215 10.296 11.983 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.368 11.474 14.459 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.982 11.545 13.779 1.00 0.00 H new ATOM 31 N VAL A 12 -5.765 6.750 15.450 1.00 0.00 N ATOM 32 CA VAL A 12 -4.551 6.243 16.125 1.00 0.00 C ATOM 33 C VAL A 12 -3.457 6.041 15.073 1.00 0.00 C ATOM 34 O VAL A 12 -3.535 5.118 14.291 1.00 0.00 O ATOM 35 CB VAL A 12 -4.892 4.890 16.754 1.00 0.00 C ATOM 36 CG1 VAL A 12 -3.625 4.278 17.331 1.00 0.00 C ATOM 37 CG2 VAL A 12 -5.944 5.049 17.863 1.00 0.00 C ATOM 0 H VAL A 12 -6.331 6.037 14.990 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.208 6.943 16.887 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.306 4.238 15.985 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.859 3.313 17.781 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.893 4.139 16.535 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.213 4.943 18.091 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.169 4.073 18.294 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.557 5.708 18.640 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.853 5.478 17.443 1.00 0.00 H new ATOM 47 N PRO A 13 -2.469 6.900 15.072 1.00 0.00 N ATOM 48 CA PRO A 13 -1.346 6.815 14.091 1.00 0.00 C ATOM 49 C PRO A 13 -0.457 5.611 14.396 1.00 0.00 C ATOM 50 O PRO A 13 -0.336 5.179 15.526 1.00 0.00 O ATOM 51 CB PRO A 13 -0.605 8.133 14.286 1.00 0.00 C ATOM 52 CG PRO A 13 -0.948 8.623 15.685 1.00 0.00 C ATOM 53 CD PRO A 13 -2.322 8.046 16.034 1.00 0.00 C ATOM 0 HA PRO A 13 -1.677 6.676 13.062 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.470 7.992 14.178 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.908 8.863 13.535 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.197 8.295 16.404 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.967 9.712 15.719 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.366 7.710 17.070 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.113 8.784 15.904 1.00 0.00 H new ATOM 61 N VAL A 14 0.149 5.057 13.386 1.00 0.00 N ATOM 62 CA VAL A 14 1.012 3.864 13.592 1.00 0.00 C ATOM 63 C VAL A 14 2.478 4.240 13.378 1.00 0.00 C ATOM 64 O VAL A 14 2.803 5.146 12.634 1.00 0.00 O ATOM 65 CB VAL A 14 0.610 2.787 12.585 1.00 0.00 C ATOM 66 CG1 VAL A 14 1.677 1.703 12.520 1.00 0.00 C ATOM 67 CG2 VAL A 14 -0.724 2.160 13.002 1.00 0.00 C ATOM 0 H VAL A 14 0.083 5.381 12.421 1.00 0.00 H new ATOM 0 HA VAL A 14 0.887 3.491 14.609 1.00 0.00 H new ATOM 0 HB VAL A 14 0.507 3.248 11.603 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.379 0.942 11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.625 2.144 12.211 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.792 1.246 13.503 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.007 1.393 12.281 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.622 1.710 13.989 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.494 2.930 13.033 1.00 0.00 H new ATOM 77 N ASP A 15 3.363 3.537 14.022 1.00 0.00 N ATOM 78 CA ASP A 15 4.821 3.818 13.873 1.00 0.00 C ATOM 79 C ASP A 15 5.616 2.714 14.568 1.00 0.00 C ATOM 80 O ASP A 15 5.094 1.985 15.386 1.00 0.00 O ATOM 81 CB ASP A 15 5.195 5.166 14.507 1.00 0.00 C ATOM 82 CG ASP A 15 3.958 5.850 15.099 1.00 0.00 C ATOM 83 OD1 ASP A 15 3.268 5.213 15.875 1.00 0.00 O ATOM 84 OD2 ASP A 15 3.725 7.001 14.765 1.00 0.00 O ATOM 0 H ASP A 15 3.138 2.769 14.654 1.00 0.00 H new ATOM 0 HA ASP A 15 5.055 3.855 12.809 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.940 5.012 15.288 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.650 5.813 13.756 1.00 0.00 H new ATOM 89 N GLU A 16 6.877 2.599 14.247 1.00 0.00 N ATOM 90 CA GLU A 16 7.739 1.552 14.881 1.00 0.00 C ATOM 91 C GLU A 16 7.573 0.219 14.159 1.00 0.00 C ATOM 92 O GLU A 16 8.529 -0.477 13.879 1.00 0.00 O ATOM 93 CB GLU A 16 7.363 1.389 16.357 1.00 0.00 C ATOM 94 CG GLU A 16 8.594 0.944 17.149 1.00 0.00 C ATOM 95 CD GLU A 16 8.839 1.916 18.303 1.00 0.00 C ATOM 96 OE1 GLU A 16 7.976 2.016 19.161 1.00 0.00 O ATOM 97 OE2 GLU A 16 9.884 2.545 18.311 1.00 0.00 O ATOM 0 H GLU A 16 7.354 3.190 13.566 1.00 0.00 H new ATOM 0 HA GLU A 16 8.780 1.867 14.806 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.983 2.331 16.753 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.565 0.654 16.461 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.446 -0.065 17.535 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.466 0.911 16.496 1.00 0.00 H new ATOM 104 N ASN A 17 6.369 -0.135 13.861 1.00 0.00 N ATOM 105 CA ASN A 17 6.110 -1.423 13.157 1.00 0.00 C ATOM 106 C ASN A 17 4.601 -1.648 13.053 1.00 0.00 C ATOM 107 O ASN A 17 4.008 -1.485 12.006 1.00 0.00 O ATOM 108 CB ASN A 17 6.770 -2.570 13.932 1.00 0.00 C ATOM 109 CG ASN A 17 6.176 -3.909 13.485 1.00 0.00 C ATOM 110 OD1 ASN A 17 5.022 -4.192 13.741 1.00 0.00 O ATOM 111 ND2 ASN A 17 6.922 -4.751 12.823 1.00 0.00 N ATOM 0 H ASN A 17 5.536 0.414 14.074 1.00 0.00 H new ATOM 0 HA ASN A 17 6.532 -1.389 12.153 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.846 -2.564 13.761 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.617 -2.433 15.002 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.536 -5.646 12.521 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.891 -4.514 12.608 1.00 0.00 H new ATOM 118 N ASP A 18 3.978 -2.020 14.130 1.00 0.00 N ATOM 119 CA ASP A 18 2.508 -2.254 14.100 1.00 0.00 C ATOM 120 C ASP A 18 2.177 -3.278 13.017 1.00 0.00 C ATOM 121 O ASP A 18 1.872 -2.932 11.894 1.00 0.00 O ATOM 122 CB ASP A 18 1.796 -0.937 13.794 1.00 0.00 C ATOM 123 CG ASP A 18 0.985 -0.498 15.015 1.00 0.00 C ATOM 124 OD1 ASP A 18 0.134 -1.260 15.442 1.00 0.00 O ATOM 125 OD2 ASP A 18 1.231 0.593 15.502 1.00 0.00 O ATOM 0 H ASP A 18 4.423 -2.174 15.035 1.00 0.00 H new ATOM 0 HA ASP A 18 2.177 -2.633 15.067 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.525 -0.170 13.534 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.139 -1.058 12.933 1.00 0.00 H new ATOM 130 N GLU A 19 2.238 -4.537 13.345 1.00 0.00 N ATOM 131 CA GLU A 19 1.931 -5.588 12.335 1.00 0.00 C ATOM 132 C GLU A 19 0.548 -5.338 11.729 1.00 0.00 C ATOM 133 O GLU A 19 0.299 -5.651 10.581 1.00 0.00 O ATOM 134 CB GLU A 19 1.952 -6.960 13.011 1.00 0.00 C ATOM 135 CG GLU A 19 1.113 -6.910 14.289 1.00 0.00 C ATOM 136 CD GLU A 19 1.812 -7.706 15.392 1.00 0.00 C ATOM 137 OE1 GLU A 19 2.760 -7.189 15.959 1.00 0.00 O ATOM 138 OE2 GLU A 19 1.388 -8.821 15.650 1.00 0.00 O ATOM 0 H GLU A 19 2.488 -4.885 14.271 1.00 0.00 H new ATOM 0 HA GLU A 19 2.679 -5.557 11.543 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.558 -7.717 12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.977 -7.246 13.247 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.974 -5.876 14.605 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.121 -7.322 14.102 1.00 0.00 H new ATOM 145 N GLY A 20 -0.357 -4.780 12.486 1.00 0.00 N ATOM 146 CA GLY A 20 -1.719 -4.517 11.940 1.00 0.00 C ATOM 147 C GLY A 20 -1.616 -3.525 10.780 1.00 0.00 C ATOM 148 O GLY A 20 -2.060 -3.790 9.679 1.00 0.00 O ATOM 0 H GLY A 20 -0.213 -4.496 13.455 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.172 -5.448 11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.365 -4.115 12.721 1.00 0.00 H new ATOM 152 N LEU A 21 -1.026 -2.385 11.015 1.00 0.00 N ATOM 153 CA LEU A 21 -0.887 -1.379 9.926 1.00 0.00 C ATOM 154 C LEU A 21 -0.120 -2.004 8.762 1.00 0.00 C ATOM 155 O LEU A 21 -0.401 -1.738 7.611 1.00 0.00 O ATOM 156 CB LEU A 21 -0.132 -0.159 10.458 1.00 0.00 C ATOM 157 CG LEU A 21 -0.002 0.901 9.357 1.00 0.00 C ATOM 158 CD1 LEU A 21 1.096 0.491 8.374 1.00 0.00 C ATOM 159 CD2 LEU A 21 -1.331 1.036 8.608 1.00 0.00 C ATOM 0 H LEU A 21 -0.634 -2.107 11.915 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.872 -1.065 9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.659 0.259 11.316 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.857 -0.457 10.806 1.00 0.00 H new ATOM 0 HG LEU A 21 0.256 1.858 9.812 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.186 1.246 7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.044 0.403 8.904 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.841 -0.468 7.923 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.234 1.790 7.827 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.594 0.079 8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.113 1.335 9.306 1.00 0.00 H new ATOM 171 N GLN A 22 0.844 -2.836 9.047 1.00 0.00 N ATOM 172 CA GLN A 22 1.613 -3.475 7.943 1.00 0.00 C ATOM 173 C GLN A 22 0.676 -4.358 7.125 1.00 0.00 C ATOM 174 O GLN A 22 0.790 -4.450 5.922 1.00 0.00 O ATOM 175 CB GLN A 22 2.746 -4.323 8.525 1.00 0.00 C ATOM 176 CG GLN A 22 3.733 -3.419 9.266 1.00 0.00 C ATOM 177 CD GLN A 22 4.593 -4.267 10.205 1.00 0.00 C ATOM 178 OE1 GLN A 22 4.380 -4.276 11.400 1.00 0.00 O ATOM 179 NE2 GLN A 22 5.565 -4.984 9.709 1.00 0.00 N ATOM 0 H GLN A 22 1.131 -3.099 9.990 1.00 0.00 H new ATOM 0 HA GLN A 22 2.040 -2.704 7.302 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.341 -5.072 9.206 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.258 -4.861 7.727 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.366 -2.891 8.553 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.193 -2.661 9.834 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.743 -4.976 8.705 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.146 -5.552 10.326 1.00 0.00 H new ATOM 188 N ARG A 23 -0.262 -4.997 7.763 1.00 0.00 N ATOM 189 CA ARG A 23 -1.217 -5.854 7.010 1.00 0.00 C ATOM 190 C ARG A 23 -2.139 -4.948 6.195 1.00 0.00 C ATOM 191 O ARG A 23 -2.775 -5.371 5.250 1.00 0.00 O ATOM 192 CB ARG A 23 -2.047 -6.685 7.990 1.00 0.00 C ATOM 193 CG ARG A 23 -1.118 -7.379 8.985 1.00 0.00 C ATOM 194 CD ARG A 23 -1.183 -8.893 8.773 1.00 0.00 C ATOM 195 NE ARG A 23 -0.462 -9.250 7.521 1.00 0.00 N ATOM 196 CZ ARG A 23 -0.876 -10.251 6.792 1.00 0.00 C ATOM 197 NH1 ARG A 23 -1.016 -11.432 7.327 1.00 0.00 N ATOM 198 NH2 ARG A 23 -1.150 -10.068 5.530 1.00 0.00 N ATOM 0 H ARG A 23 -0.409 -4.963 8.772 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.673 -6.529 6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.752 -6.044 8.520 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.635 -7.426 7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.095 -7.026 8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.410 -7.131 10.005 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.736 -9.409 9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.222 -9.218 8.713 1.00 0.00 H new ATOM 0 HE ARG A 23 0.356 -8.713 7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.802 -11.573 8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.339 -12.214 6.758 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.041 -9.143 5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.473 -10.849 4.960 1.00 0.00 H new ATOM 212 N ALA A 24 -2.203 -3.693 6.556 1.00 0.00 N ATOM 213 CA ALA A 24 -3.067 -2.737 5.812 1.00 0.00 C ATOM 214 C ALA A 24 -2.356 -2.316 4.530 1.00 0.00 C ATOM 215 O ALA A 24 -2.877 -2.457 3.435 1.00 0.00 O ATOM 216 CB ALA A 24 -3.322 -1.503 6.678 1.00 0.00 C ATOM 0 H ALA A 24 -1.690 -3.289 7.340 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.017 -3.213 5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.955 -0.801 6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.821 -1.802 7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.373 -1.024 6.918 1.00 0.00 H new ATOM 222 N LEU A 25 -1.164 -1.805 4.656 1.00 0.00 N ATOM 223 CA LEU A 25 -0.413 -1.378 3.464 1.00 0.00 C ATOM 224 C LEU A 25 -0.144 -2.582 2.572 1.00 0.00 C ATOM 225 O LEU A 25 -0.103 -2.479 1.370 1.00 0.00 O ATOM 226 CB LEU A 25 0.899 -0.778 3.940 1.00 0.00 C ATOM 227 CG LEU A 25 1.798 -0.470 2.743 1.00 0.00 C ATOM 228 CD1 LEU A 25 2.349 0.952 2.871 1.00 0.00 C ATOM 229 CD2 LEU A 25 2.960 -1.467 2.706 1.00 0.00 C ATOM 0 H LEU A 25 -0.682 -1.667 5.544 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.980 -0.645 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.707 0.134 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.402 -1.471 4.614 1.00 0.00 H new ATOM 0 HG LEU A 25 1.219 -0.554 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.990 1.172 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.522 1.662 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.928 1.037 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.601 -1.247 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.539 -1.385 3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.568 -2.480 2.614 1.00 0.00 H new ATOM 241 N GLN A 26 0.048 -3.719 3.154 1.00 0.00 N ATOM 242 CA GLN A 26 0.323 -4.929 2.332 1.00 0.00 C ATOM 243 C GLN A 26 -0.961 -5.428 1.654 1.00 0.00 C ATOM 244 O GLN A 26 -0.917 -6.051 0.612 1.00 0.00 O ATOM 245 CB GLN A 26 0.896 -6.036 3.221 1.00 0.00 C ATOM 246 CG GLN A 26 2.395 -5.804 3.422 1.00 0.00 C ATOM 247 CD GLN A 26 2.949 -6.849 4.388 1.00 0.00 C ATOM 248 OE1 GLN A 26 3.714 -6.529 5.276 1.00 0.00 O ATOM 249 NE2 GLN A 26 2.592 -8.097 4.256 1.00 0.00 N ATOM 0 H GLN A 26 0.028 -3.871 4.162 1.00 0.00 H new ATOM 0 HA GLN A 26 1.046 -4.666 1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.386 -6.044 4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.726 -7.010 2.762 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.914 -5.866 2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.569 -4.802 3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.950 -8.368 3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.955 -8.802 4.898 1.00 0.00 H new ATOM 258 N PHE A 27 -2.098 -5.159 2.229 1.00 0.00 N ATOM 259 CA PHE A 27 -3.378 -5.615 1.613 1.00 0.00 C ATOM 260 C PHE A 27 -3.644 -4.807 0.348 1.00 0.00 C ATOM 261 O PHE A 27 -3.788 -5.336 -0.742 1.00 0.00 O ATOM 262 CB PHE A 27 -4.494 -5.367 2.616 1.00 0.00 C ATOM 263 CG PHE A 27 -5.778 -6.052 2.206 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.899 -6.657 0.950 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.864 -6.059 3.093 1.00 0.00 C ATOM 266 CE1 PHE A 27 -7.106 -7.264 0.582 1.00 0.00 C ATOM 267 CE2 PHE A 27 -8.065 -6.669 2.727 1.00 0.00 C ATOM 268 CZ PHE A 27 -8.189 -7.270 1.470 1.00 0.00 C ATOM 0 H PHE A 27 -2.199 -4.641 3.102 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.325 -6.673 1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.187 -5.727 3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.667 -4.295 2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.063 -6.656 0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.771 -5.591 4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.202 -7.728 -0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.898 -6.677 3.414 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.119 -7.738 1.184 1.00 0.00 H new ATOM 278 N ALA A 28 -3.695 -3.523 0.491 1.00 0.00 N ATOM 279 CA ALA A 28 -3.952 -2.649 -0.686 1.00 0.00 C ATOM 280 C ALA A 28 -2.750 -2.669 -1.621 1.00 0.00 C ATOM 281 O ALA A 28 -2.881 -2.840 -2.815 1.00 0.00 O ATOM 282 CB ALA A 28 -4.189 -1.227 -0.203 1.00 0.00 C ATOM 0 H ALA A 28 -3.570 -3.032 1.376 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.828 -3.013 -1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.378 -0.579 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.051 -1.208 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.308 -0.873 0.332 1.00 0.00 H new ATOM 288 N ILE A 29 -1.577 -2.494 -1.089 1.00 0.00 N ATOM 289 CA ILE A 29 -0.369 -2.503 -1.951 1.00 0.00 C ATOM 290 C ILE A 29 -0.292 -3.846 -2.665 1.00 0.00 C ATOM 291 O ILE A 29 0.079 -3.938 -3.818 1.00 0.00 O ATOM 292 CB ILE A 29 0.886 -2.295 -1.081 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.015 -1.739 -1.936 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.333 -3.614 -0.469 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.452 -0.619 -2.787 1.00 0.00 C ATOM 0 H ILE A 29 -1.403 -2.345 -0.095 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.424 -1.699 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 29 0.642 -1.594 -0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.823 -1.369 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.436 -2.522 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.220 -3.449 0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.533 -4.016 0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.566 -4.323 -1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.243 -0.203 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.657 -1.009 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.050 0.162 -2.141 1.00 0.00 H new ATOM 307 N ALA A 30 -0.654 -4.888 -1.981 1.00 0.00 N ATOM 308 CA ALA A 30 -0.626 -6.229 -2.612 1.00 0.00 C ATOM 309 C ALA A 30 -1.508 -6.166 -3.851 1.00 0.00 C ATOM 310 O ALA A 30 -1.232 -6.781 -4.864 1.00 0.00 O ATOM 311 CB ALA A 30 -1.175 -7.276 -1.639 1.00 0.00 C ATOM 0 H ALA A 30 -0.969 -4.869 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 30 0.394 -6.509 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.151 -8.259 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.563 -7.291 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.203 -7.025 -1.376 1.00 0.00 H new ATOM 317 N GLU A 31 -2.567 -5.404 -3.781 1.00 0.00 N ATOM 318 CA GLU A 31 -3.461 -5.280 -4.962 1.00 0.00 C ATOM 319 C GLU A 31 -2.790 -4.407 -6.019 1.00 0.00 C ATOM 320 O GLU A 31 -3.043 -4.549 -7.198 1.00 0.00 O ATOM 321 CB GLU A 31 -4.796 -4.658 -4.553 1.00 0.00 C ATOM 322 CG GLU A 31 -5.831 -5.766 -4.337 1.00 0.00 C ATOM 323 CD GLU A 31 -5.224 -6.871 -3.469 1.00 0.00 C ATOM 324 OE1 GLU A 31 -4.389 -6.555 -2.640 1.00 0.00 O ATOM 325 OE2 GLU A 31 -5.608 -8.015 -3.649 1.00 0.00 O ATOM 0 H GLU A 31 -2.848 -4.866 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.647 -6.273 -5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.674 -4.077 -3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.140 -3.970 -5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.720 -5.359 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.147 -6.175 -5.297 1.00 0.00 H new ATOM 332 N TYR A 32 -1.927 -3.510 -5.622 1.00 0.00 N ATOM 333 CA TYR A 32 -1.251 -2.663 -6.633 1.00 0.00 C ATOM 334 C TYR A 32 -0.334 -3.559 -7.468 1.00 0.00 C ATOM 335 O TYR A 32 -0.338 -3.516 -8.685 1.00 0.00 O ATOM 336 CB TYR A 32 -0.437 -1.582 -5.931 1.00 0.00 C ATOM 337 CG TYR A 32 -0.365 -0.363 -6.812 1.00 0.00 C ATOM 338 CD1 TYR A 32 -1.539 0.202 -7.324 1.00 0.00 C ATOM 339 CD2 TYR A 32 0.872 0.212 -7.114 1.00 0.00 C ATOM 340 CE1 TYR A 32 -1.474 1.329 -8.131 1.00 0.00 C ATOM 341 CE2 TYR A 32 0.937 1.340 -7.921 1.00 0.00 C ATOM 342 CZ TYR A 32 -0.236 1.907 -8.434 1.00 0.00 C ATOM 343 OH TYR A 32 -0.171 3.023 -9.239 1.00 0.00 O ATOM 0 H TYR A 32 -1.667 -3.332 -4.652 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.983 -2.178 -7.279 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.896 -1.328 -4.976 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.566 -1.949 -5.715 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.496 -0.240 -7.091 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.779 -0.222 -6.719 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.381 1.761 -8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.895 1.781 -8.154 1.00 0.00 H new ATOM 0 HH TYR A 32 0.764 3.295 -9.347 1.00 0.00 H new ATOM 353 N ASN A 33 0.439 -4.386 -6.817 1.00 0.00 N ATOM 354 CA ASN A 33 1.345 -5.306 -7.556 1.00 0.00 C ATOM 355 C ASN A 33 0.511 -6.227 -8.451 1.00 0.00 C ATOM 356 O ASN A 33 0.757 -6.341 -9.636 1.00 0.00 O ATOM 357 CB ASN A 33 2.143 -6.150 -6.559 1.00 0.00 C ATOM 358 CG ASN A 33 3.093 -7.077 -7.320 1.00 0.00 C ATOM 359 OD1 ASN A 33 3.211 -8.243 -6.998 1.00 0.00 O ATOM 360 ND2 ASN A 33 3.781 -6.606 -8.325 1.00 0.00 N ATOM 0 H ASN A 33 0.481 -4.463 -5.801 1.00 0.00 H new ATOM 0 HA ASN A 33 2.033 -4.724 -8.169 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.709 -5.502 -5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.465 -6.736 -5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.416 -7.216 -8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.683 -5.628 -8.596 1.00 0.00 H new ATOM 367 N ARG A 34 -0.477 -6.887 -7.899 1.00 0.00 N ATOM 368 CA ARG A 34 -1.317 -7.790 -8.733 1.00 0.00 C ATOM 369 C ARG A 34 -2.118 -6.951 -9.726 1.00 0.00 C ATOM 370 O ARG A 34 -2.651 -7.455 -10.695 1.00 0.00 O ATOM 371 CB ARG A 34 -2.268 -8.586 -7.836 1.00 0.00 C ATOM 372 CG ARG A 34 -1.498 -9.112 -6.623 1.00 0.00 C ATOM 373 CD ARG A 34 -1.530 -10.640 -6.624 1.00 0.00 C ATOM 374 NE ARG A 34 -0.851 -11.153 -5.400 1.00 0.00 N ATOM 375 CZ ARG A 34 -0.710 -12.437 -5.222 1.00 0.00 C ATOM 376 NH1 ARG A 34 -1.750 -13.224 -5.291 1.00 0.00 N ATOM 377 NH2 ARG A 34 0.470 -12.937 -4.976 1.00 0.00 N ATOM 0 H ARG A 34 -0.734 -6.838 -6.913 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.679 -8.487 -9.277 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.094 -7.954 -7.510 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.702 -9.416 -8.393 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.467 -8.759 -6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.940 -8.729 -5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.561 -10.993 -6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.034 -11.024 -7.516 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.497 -10.499 -4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.673 -12.834 -5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.640 -14.228 -5.152 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.283 -12.323 -4.923 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.579 -13.942 -4.837 1.00 0.00 H new ATOM 391 N ALA A 35 -2.199 -5.670 -9.494 1.00 0.00 N ATOM 392 CA ALA A 35 -2.958 -4.795 -10.428 1.00 0.00 C ATOM 393 C ALA A 35 -2.147 -4.607 -11.708 1.00 0.00 C ATOM 394 O ALA A 35 -2.687 -4.448 -12.785 1.00 0.00 O ATOM 395 CB ALA A 35 -3.206 -3.435 -9.772 1.00 0.00 C ATOM 0 H ALA A 35 -1.773 -5.193 -8.699 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.916 -5.257 -10.666 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.762 -2.796 -10.458 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.782 -3.572 -8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.251 -2.967 -9.533 1.00 0.00 H new ATOM 401 N SER A 36 -0.850 -4.631 -11.594 1.00 0.00 N ATOM 402 CA SER A 36 0.013 -4.462 -12.799 1.00 0.00 C ATOM 403 C SER A 36 0.305 -5.834 -13.414 1.00 0.00 C ATOM 404 O SER A 36 0.520 -5.958 -14.603 1.00 0.00 O ATOM 405 CB SER A 36 1.329 -3.794 -12.393 1.00 0.00 C ATOM 406 OG SER A 36 2.288 -3.972 -13.423 1.00 0.00 O ATOM 0 H SER A 36 -0.347 -4.761 -10.716 1.00 0.00 H new ATOM 0 HA SER A 36 -0.501 -3.838 -13.530 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.169 -2.731 -12.211 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.696 -4.225 -11.462 1.00 0.00 H new ATOM 0 HG SER A 36 1.851 -3.883 -14.296 1.00 0.00 H new ATOM 412 N ASN A 37 0.313 -6.865 -12.612 1.00 0.00 N ATOM 413 CA ASN A 37 0.589 -8.231 -13.144 1.00 0.00 C ATOM 414 C ASN A 37 2.065 -8.340 -13.547 1.00 0.00 C ATOM 415 O ASN A 37 2.883 -7.529 -13.163 1.00 0.00 O ATOM 416 CB ASN A 37 -0.297 -8.497 -14.363 1.00 0.00 C ATOM 417 CG ASN A 37 -1.743 -8.122 -14.035 1.00 0.00 C ATOM 418 OD1 ASN A 37 -2.043 -7.722 -12.928 1.00 0.00 O ATOM 419 ND2 ASN A 37 -2.658 -8.236 -14.958 1.00 0.00 N ATOM 0 H ASN A 37 0.140 -6.820 -11.608 1.00 0.00 H new ATOM 0 HA ASN A 37 0.371 -8.968 -12.372 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.056 -7.917 -15.216 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.238 -9.548 -14.646 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.626 -7.989 -14.750 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.406 -8.572 -15.887 1.00 0.00 H new ATOM 426 N ASP A 38 2.412 -9.340 -14.317 1.00 0.00 N ATOM 427 CA ASP A 38 3.821 -9.509 -14.739 1.00 0.00 C ATOM 428 C ASP A 38 4.193 -8.430 -15.754 1.00 0.00 C ATOM 429 O ASP A 38 5.353 -8.164 -16.003 1.00 0.00 O ATOM 430 CB ASP A 38 3.934 -10.885 -15.376 1.00 0.00 C ATOM 431 CG ASP A 38 5.358 -11.108 -15.892 1.00 0.00 C ATOM 432 OD1 ASP A 38 6.213 -10.293 -15.590 1.00 0.00 O ATOM 433 OD2 ASP A 38 5.567 -12.093 -16.581 1.00 0.00 O ATOM 0 H ASP A 38 1.769 -10.048 -14.670 1.00 0.00 H new ATOM 0 HA ASP A 38 4.496 -9.419 -13.888 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.678 -11.654 -14.647 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.223 -10.974 -16.197 1.00 0.00 H new ATOM 438 N LYS A 39 3.215 -7.805 -16.340 1.00 0.00 N ATOM 439 CA LYS A 39 3.500 -6.737 -17.339 1.00 0.00 C ATOM 440 C LYS A 39 4.335 -5.640 -16.689 1.00 0.00 C ATOM 441 O LYS A 39 5.041 -4.917 -17.358 1.00 0.00 O ATOM 442 CB LYS A 39 2.181 -6.150 -17.845 1.00 0.00 C ATOM 443 CG LYS A 39 1.165 -7.280 -18.035 1.00 0.00 C ATOM 444 CD LYS A 39 0.113 -6.856 -19.060 1.00 0.00 C ATOM 445 CE LYS A 39 0.590 -7.229 -20.464 1.00 0.00 C ATOM 446 NZ LYS A 39 1.578 -6.218 -20.937 1.00 0.00 N ATOM 0 H LYS A 39 2.226 -7.987 -16.171 1.00 0.00 H new ATOM 0 HA LYS A 39 4.053 -7.160 -18.177 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.799 -5.418 -17.134 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.340 -5.626 -18.788 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.671 -8.185 -18.371 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.687 -7.517 -17.084 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.837 -7.345 -18.845 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.060 -5.782 -18.996 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.044 -8.220 -20.454 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.257 -7.273 -21.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.562 -6.177 -21.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.332 -5.285 -20.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.530 -6.486 -20.616 1.00 0.00 H new ATOM 460 N TYR A 40 4.269 -5.500 -15.395 1.00 0.00 N ATOM 461 CA TYR A 40 5.068 -4.442 -14.744 1.00 0.00 C ATOM 462 C TYR A 40 5.078 -4.630 -13.234 1.00 0.00 C ATOM 463 O TYR A 40 4.503 -5.562 -12.706 1.00 0.00 O ATOM 464 CB TYR A 40 4.454 -3.096 -15.066 1.00 0.00 C ATOM 465 CG TYR A 40 5.243 -2.462 -16.171 1.00 0.00 C ATOM 466 CD1 TYR A 40 6.522 -1.967 -15.914 1.00 0.00 C ATOM 467 CD2 TYR A 40 4.703 -2.389 -17.455 1.00 0.00 C ATOM 468 CE1 TYR A 40 7.266 -1.394 -16.944 1.00 0.00 C ATOM 469 CE2 TYR A 40 5.444 -1.817 -18.488 1.00 0.00 C ATOM 470 CZ TYR A 40 6.728 -1.317 -18.236 1.00 0.00 C ATOM 471 OH TYR A 40 7.462 -0.750 -19.258 1.00 0.00 O ATOM 0 H TYR A 40 3.700 -6.070 -14.770 1.00 0.00 H new ATOM 0 HA TYR A 40 6.092 -4.496 -15.113 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.413 -3.217 -15.366 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.459 -2.457 -14.183 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.935 -2.028 -14.918 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.713 -2.775 -17.648 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.256 -1.010 -16.747 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.028 -1.759 -19.483 1.00 0.00 H new ATOM 0 HH TYR A 40 6.942 -0.778 -20.088 1.00 0.00 H new ATOM 481 N SER A 41 5.729 -3.744 -12.532 1.00 0.00 N ATOM 482 CA SER A 41 5.768 -3.878 -11.044 1.00 0.00 C ATOM 483 C SER A 41 5.354 -2.565 -10.366 1.00 0.00 C ATOM 484 O SER A 41 5.601 -1.487 -10.866 1.00 0.00 O ATOM 485 CB SER A 41 7.184 -4.246 -10.605 1.00 0.00 C ATOM 486 OG SER A 41 7.128 -5.308 -9.666 1.00 0.00 O ATOM 0 H SER A 41 6.230 -2.943 -12.915 1.00 0.00 H new ATOM 0 HA SER A 41 5.068 -4.659 -10.748 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.779 -4.542 -11.469 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.675 -3.380 -10.161 1.00 0.00 H new ATOM 0 HG SER A 41 8.032 -5.652 -9.506 1.00 0.00 H new ATOM 492 N SER A 42 4.741 -2.657 -9.212 1.00 0.00 N ATOM 493 CA SER A 42 4.328 -1.426 -8.472 1.00 0.00 C ATOM 494 C SER A 42 4.663 -1.614 -6.988 1.00 0.00 C ATOM 495 O SER A 42 4.019 -2.376 -6.295 1.00 0.00 O ATOM 496 CB SER A 42 2.822 -1.191 -8.623 1.00 0.00 C ATOM 497 OG SER A 42 2.374 -1.758 -9.846 1.00 0.00 O ATOM 0 H SER A 42 4.508 -3.536 -8.749 1.00 0.00 H new ATOM 0 HA SER A 42 4.858 -0.565 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.288 -1.639 -7.785 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.606 -0.123 -8.605 1.00 0.00 H new ATOM 0 HG SER A 42 1.394 -1.752 -9.870 1.00 0.00 H new ATOM 503 N ARG A 43 5.670 -0.941 -6.492 1.00 0.00 N ATOM 504 CA ARG A 43 6.031 -1.116 -5.053 1.00 0.00 C ATOM 505 C ARG A 43 5.916 0.217 -4.311 1.00 0.00 C ATOM 506 O ARG A 43 5.951 1.279 -4.905 1.00 0.00 O ATOM 507 CB ARG A 43 7.469 -1.631 -4.951 1.00 0.00 C ATOM 508 CG ARG A 43 7.552 -2.716 -3.873 1.00 0.00 C ATOM 509 CD ARG A 43 6.631 -3.881 -4.244 1.00 0.00 C ATOM 510 NE ARG A 43 5.471 -3.912 -3.309 1.00 0.00 N ATOM 511 CZ ARG A 43 5.069 -5.047 -2.806 1.00 0.00 C ATOM 512 NH1 ARG A 43 5.846 -5.716 -1.997 1.00 0.00 N ATOM 513 NH2 ARG A 43 3.889 -5.513 -3.109 1.00 0.00 N ATOM 0 H ARG A 43 6.252 -0.285 -7.014 1.00 0.00 H new ATOM 0 HA ARG A 43 5.346 -1.833 -4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.791 -2.033 -5.912 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.143 -0.810 -4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.579 -3.068 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.263 -2.305 -2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.282 -3.770 -5.271 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.178 -4.822 -4.193 1.00 0.00 H new ATOM 0 HE ARG A 43 4.991 -3.046 -3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.768 -5.351 -1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.531 -6.603 -1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.281 -4.990 -3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.575 -6.400 -2.716 1.00 0.00 H new ATOM 527 N VAL A 44 5.791 0.168 -3.010 1.00 0.00 N ATOM 528 CA VAL A 44 5.691 1.425 -2.218 1.00 0.00 C ATOM 529 C VAL A 44 6.927 2.271 -2.467 1.00 0.00 C ATOM 530 O VAL A 44 7.777 1.925 -3.263 1.00 0.00 O ATOM 531 CB VAL A 44 5.530 1.084 -0.734 1.00 0.00 C ATOM 532 CG1 VAL A 44 6.890 1.061 -0.030 1.00 0.00 C ATOM 533 CG2 VAL A 44 4.625 2.133 -0.084 1.00 0.00 C ATOM 0 H VAL A 44 5.754 -0.692 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 44 4.817 1.999 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 44 5.085 0.094 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.751 0.817 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.528 0.310 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.361 2.040 -0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.502 1.902 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.077 3.119 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.651 2.126 -0.573 1.00 0.00 H new ATOM 543 N VAL A 45 7.019 3.395 -1.827 1.00 0.00 N ATOM 544 CA VAL A 45 8.178 4.277 -2.065 1.00 0.00 C ATOM 545 C VAL A 45 8.366 5.161 -0.834 1.00 0.00 C ATOM 546 O VAL A 45 9.269 4.968 -0.045 1.00 0.00 O ATOM 547 CB VAL A 45 7.903 5.163 -3.291 1.00 0.00 C ATOM 548 CG1 VAL A 45 8.975 4.975 -4.332 1.00 0.00 C ATOM 549 CG2 VAL A 45 6.615 4.792 -3.987 1.00 0.00 C ATOM 0 H VAL A 45 6.339 3.739 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 45 9.074 3.683 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 45 7.862 6.183 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.763 5.610 -5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.943 5.246 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.996 3.932 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.464 5.446 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.668 3.757 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.781 4.906 -3.294 1.00 0.00 H new ATOM 559 N ARG A 46 7.505 6.124 -0.666 1.00 0.00 N ATOM 560 CA ARG A 46 7.604 7.025 0.514 1.00 0.00 C ATOM 561 C ARG A 46 6.216 7.186 1.142 1.00 0.00 C ATOM 562 O ARG A 46 5.440 8.030 0.739 1.00 0.00 O ATOM 563 CB ARG A 46 8.126 8.391 0.065 1.00 0.00 C ATOM 564 CG ARG A 46 9.649 8.332 -0.066 1.00 0.00 C ATOM 565 CD ARG A 46 10.209 9.752 -0.173 1.00 0.00 C ATOM 566 NE ARG A 46 11.594 9.779 0.372 1.00 0.00 N ATOM 567 CZ ARG A 46 11.868 9.166 1.492 1.00 0.00 C ATOM 568 NH1 ARG A 46 11.519 9.698 2.629 1.00 0.00 N ATOM 569 NH2 ARG A 46 12.491 8.020 1.472 1.00 0.00 N ATOM 0 H ARG A 46 6.732 6.327 -1.300 1.00 0.00 H new ATOM 0 HA ARG A 46 8.289 6.599 1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.678 8.669 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.841 9.157 0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.079 7.824 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.926 7.753 -0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.209 10.077 -1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.576 10.447 0.378 1.00 0.00 H new ATOM 0 HE ARG A 46 12.330 10.277 -0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.031 10.594 2.645 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.733 9.219 3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.764 7.603 0.582 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.705 7.541 2.346 1.00 0.00 H new ATOM 583 N VAL A 47 5.895 6.381 2.122 1.00 0.00 N ATOM 584 CA VAL A 47 4.559 6.485 2.774 1.00 0.00 C ATOM 585 C VAL A 47 4.213 7.949 3.019 1.00 0.00 C ATOM 586 O VAL A 47 5.034 8.832 2.872 1.00 0.00 O ATOM 587 CB VAL A 47 4.576 5.699 4.083 1.00 0.00 C ATOM 588 CG1 VAL A 47 5.121 6.574 5.201 1.00 0.00 C ATOM 589 CG2 VAL A 47 3.154 5.256 4.425 1.00 0.00 C ATOM 0 H VAL A 47 6.504 5.654 2.499 1.00 0.00 H new ATOM 0 HA VAL A 47 3.794 6.063 2.122 1.00 0.00 H new ATOM 0 HB VAL A 47 5.215 4.823 3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.131 6.009 6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.136 6.888 4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.487 7.453 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.163 4.694 5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.516 6.133 4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.768 4.624 3.625 1.00 0.00 H new ATOM 599 N ILE A 48 2.989 8.209 3.364 1.00 0.00 N ATOM 600 CA ILE A 48 2.564 9.606 3.582 1.00 0.00 C ATOM 601 C ILE A 48 1.580 9.643 4.740 1.00 0.00 C ATOM 602 O ILE A 48 1.706 10.422 5.664 1.00 0.00 O ATOM 603 CB ILE A 48 1.855 10.046 2.311 1.00 0.00 C ATOM 604 CG1 ILE A 48 2.883 10.436 1.250 1.00 0.00 C ATOM 605 CG2 ILE A 48 0.934 11.240 2.591 1.00 0.00 C ATOM 606 CD1 ILE A 48 2.191 10.512 -0.111 1.00 0.00 C ATOM 0 H ILE A 48 2.262 7.507 3.504 1.00 0.00 H new ATOM 0 HA ILE A 48 3.410 10.254 3.809 1.00 0.00 H new ATOM 0 HB ILE A 48 1.252 9.213 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.333 11.397 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.690 9.704 1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.436 11.540 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.186 10.957 3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.524 12.073 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.918 10.790 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.762 9.540 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.399 11.260 -0.075 1.00 0.00 H new ATOM 618 N SER A 49 0.586 8.809 4.675 1.00 0.00 N ATOM 619 CA SER A 49 -0.434 8.796 5.759 1.00 0.00 C ATOM 620 C SER A 49 -0.828 7.361 6.103 1.00 0.00 C ATOM 621 O SER A 49 -1.621 6.741 5.421 1.00 0.00 O ATOM 622 CB SER A 49 -1.674 9.564 5.296 1.00 0.00 C ATOM 623 OG SER A 49 -1.800 10.758 6.054 1.00 0.00 O ATOM 0 H SER A 49 0.434 8.137 3.923 1.00 0.00 H new ATOM 0 HA SER A 49 -0.012 9.268 6.646 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.594 9.801 4.235 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.564 8.947 5.418 1.00 0.00 H new ATOM 0 HG SER A 49 -2.577 11.266 5.738 1.00 0.00 H new ATOM 629 N ALA A 50 -0.294 6.838 7.169 1.00 0.00 N ATOM 630 CA ALA A 50 -0.651 5.454 7.582 1.00 0.00 C ATOM 631 C ALA A 50 -1.282 5.517 8.975 1.00 0.00 C ATOM 632 O ALA A 50 -0.594 5.622 9.971 1.00 0.00 O ATOM 633 CB ALA A 50 0.608 4.590 7.629 1.00 0.00 C ATOM 0 H ALA A 50 0.377 7.311 7.774 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.351 5.018 6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.343 3.577 7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.069 4.565 6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.312 5.011 8.347 1.00 0.00 H new ATOM 639 N LYS A 51 -2.585 5.481 9.060 1.00 0.00 N ATOM 640 CA LYS A 51 -3.242 5.569 10.397 1.00 0.00 C ATOM 641 C LYS A 51 -4.367 4.543 10.515 1.00 0.00 C ATOM 642 O LYS A 51 -4.812 3.968 9.540 1.00 0.00 O ATOM 643 CB LYS A 51 -3.819 6.973 10.584 1.00 0.00 C ATOM 644 CG LYS A 51 -2.782 8.014 10.155 1.00 0.00 C ATOM 645 CD LYS A 51 -3.460 9.377 10.002 1.00 0.00 C ATOM 646 CE LYS A 51 -3.933 9.555 8.558 1.00 0.00 C ATOM 647 NZ LYS A 51 -4.950 10.640 8.502 1.00 0.00 N ATOM 0 H LYS A 51 -3.220 5.395 8.266 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.498 5.362 11.166 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.728 7.085 9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.095 7.128 11.627 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.984 8.074 10.895 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.321 7.717 9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.306 9.452 10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.764 10.173 10.268 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.088 9.800 7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.358 8.623 8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.273 10.763 7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.760 10.388 9.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.529 11.528 8.842 1.00 0.00 H new ATOM 661 N ARG A 52 -4.823 4.320 11.715 1.00 0.00 N ATOM 662 CA ARG A 52 -5.923 3.335 11.934 1.00 0.00 C ATOM 663 C ARG A 52 -7.057 3.998 12.731 1.00 0.00 C ATOM 664 O ARG A 52 -7.141 3.859 13.936 1.00 0.00 O ATOM 665 CB ARG A 52 -5.379 2.138 12.701 1.00 0.00 C ATOM 666 CG ARG A 52 -4.687 1.178 11.732 1.00 0.00 C ATOM 667 CD ARG A 52 -3.644 0.353 12.490 1.00 0.00 C ATOM 668 NE ARG A 52 -4.309 -0.401 13.591 1.00 0.00 N ATOM 669 CZ ARG A 52 -3.694 -0.578 14.728 1.00 0.00 C ATOM 670 NH1 ARG A 52 -2.424 -0.876 14.746 1.00 0.00 N ATOM 671 NH2 ARG A 52 -4.350 -0.456 15.850 1.00 0.00 N ATOM 0 H ARG A 52 -4.481 4.779 12.559 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.314 3.000 10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.675 2.471 13.463 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.190 1.626 13.219 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.422 0.519 11.269 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.209 1.738 10.928 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.148 -0.339 11.809 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.873 1.007 12.897 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.247 -0.779 13.455 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.910 -0.971 13.870 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.945 -1.014 15.636 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.343 -0.222 15.837 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.870 -0.594 16.739 1.00 0.00 H new ATOM 685 N GLN A 53 -7.927 4.725 12.072 1.00 0.00 N ATOM 686 CA GLN A 53 -9.046 5.399 12.797 1.00 0.00 C ATOM 687 C GLN A 53 -9.666 4.427 13.801 1.00 0.00 C ATOM 688 O GLN A 53 -9.602 3.226 13.631 1.00 0.00 O ATOM 689 CB GLN A 53 -10.111 5.849 11.796 1.00 0.00 C ATOM 690 CG GLN A 53 -10.817 7.097 12.331 1.00 0.00 C ATOM 691 CD GLN A 53 -10.149 8.348 11.757 1.00 0.00 C ATOM 692 OE1 GLN A 53 -9.802 8.385 10.594 1.00 0.00 O ATOM 693 NE2 GLN A 53 -9.953 9.383 12.529 1.00 0.00 N ATOM 0 H GLN A 53 -7.909 4.880 11.064 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.659 6.269 13.327 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.651 6.063 10.831 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.834 5.050 11.634 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.872 7.077 12.056 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.771 7.115 13.420 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.244 9.353 13.506 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.509 10.221 12.155 1.00 0.00 H new ATOM 702 N LEU A 54 -10.257 4.941 14.853 1.00 0.00 N ATOM 703 CA LEU A 54 -10.863 4.041 15.877 1.00 0.00 C ATOM 704 C LEU A 54 -12.347 4.366 16.089 1.00 0.00 C ATOM 705 O LEU A 54 -12.718 5.028 17.038 1.00 0.00 O ATOM 706 CB LEU A 54 -10.117 4.215 17.200 1.00 0.00 C ATOM 707 CG LEU A 54 -10.086 2.883 17.950 1.00 0.00 C ATOM 708 CD1 LEU A 54 -8.643 2.381 18.030 1.00 0.00 C ATOM 709 CD2 LEU A 54 -10.636 3.082 19.364 1.00 0.00 C ATOM 0 H LEU A 54 -10.344 5.939 15.044 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.782 3.012 15.526 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.101 4.563 17.013 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.607 4.975 17.808 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.698 2.152 17.422 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.617 1.431 18.564 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.250 2.242 17.023 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.032 3.112 18.560 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.614 2.133 19.900 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.023 3.812 19.893 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.663 3.443 19.307 1.00 0.00 H new ATOM 721 N VAL A 55 -13.197 3.874 15.230 1.00 0.00 N ATOM 722 CA VAL A 55 -14.659 4.113 15.395 1.00 0.00 C ATOM 723 C VAL A 55 -15.309 2.751 15.679 1.00 0.00 C ATOM 724 O VAL A 55 -14.709 1.926 16.339 1.00 0.00 O ATOM 725 CB VAL A 55 -15.219 4.746 14.115 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.400 3.678 13.035 1.00 0.00 C ATOM 727 CG2 VAL A 55 -16.564 5.414 14.413 1.00 0.00 C ATOM 0 H VAL A 55 -12.940 3.314 14.417 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.867 4.799 16.216 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.516 5.497 13.755 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.798 4.139 12.131 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.437 3.217 12.814 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.094 2.916 13.390 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.958 5.862 13.501 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.267 4.668 14.783 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.426 6.188 15.168 1.00 0.00 H new ATOM 737 N SER A 56 -16.507 2.490 15.201 1.00 0.00 N ATOM 738 CA SER A 56 -17.133 1.151 15.470 1.00 0.00 C ATOM 739 C SER A 56 -16.053 0.068 15.389 1.00 0.00 C ATOM 740 O SER A 56 -16.078 -0.919 16.094 1.00 0.00 O ATOM 741 CB SER A 56 -18.219 0.866 14.428 1.00 0.00 C ATOM 742 OG SER A 56 -17.618 0.361 13.245 1.00 0.00 O ATOM 0 H SER A 56 -17.070 3.134 14.646 1.00 0.00 H new ATOM 0 HA SER A 56 -17.582 1.153 16.463 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.935 0.145 14.821 1.00 0.00 H new ATOM 0 HB3 SER A 56 -18.774 1.778 14.206 1.00 0.00 H new ATOM 0 HG SER A 56 -18.312 0.177 12.578 1.00 0.00 H new ATOM 748 N GLY A 57 -15.088 0.285 14.546 1.00 0.00 N ATOM 749 CA GLY A 57 -13.955 -0.667 14.396 1.00 0.00 C ATOM 750 C GLY A 57 -12.730 0.178 14.037 1.00 0.00 C ATOM 751 O GLY A 57 -12.552 1.250 14.577 1.00 0.00 O ATOM 0 H GLY A 57 -15.035 1.103 13.939 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.788 -1.222 15.319 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.164 -1.400 13.617 1.00 0.00 H new ATOM 755 N ILE A 58 -11.893 -0.247 13.128 1.00 0.00 N ATOM 756 CA ILE A 58 -10.736 0.622 12.789 1.00 0.00 C ATOM 757 C ILE A 58 -10.680 0.858 11.294 1.00 0.00 C ATOM 758 O ILE A 58 -10.871 -0.041 10.504 1.00 0.00 O ATOM 759 CB ILE A 58 -9.432 -0.043 13.193 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.425 -0.283 14.692 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.262 0.854 12.801 1.00 0.00 C ATOM 762 CD1 ILE A 58 -10.121 -1.607 14.950 1.00 0.00 C ATOM 0 H ILE A 58 -11.957 -1.130 12.621 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.863 1.563 13.324 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.336 -1.000 12.681 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.403 -0.308 15.071 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.938 0.526 15.211 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.325 0.378 13.091 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.270 1.012 11.723 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.353 1.814 13.309 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.133 -1.809 16.021 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.145 -1.558 14.579 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.586 -2.406 14.436 1.00 0.00 H new ATOM 774 N LYS A 59 -10.349 2.043 10.900 1.00 0.00 N ATOM 775 CA LYS A 59 -10.197 2.306 9.455 1.00 0.00 C ATOM 776 C LYS A 59 -8.710 2.465 9.238 1.00 0.00 C ATOM 777 O LYS A 59 -8.034 3.119 9.997 1.00 0.00 O ATOM 778 CB LYS A 59 -10.930 3.578 9.037 1.00 0.00 C ATOM 779 CG LYS A 59 -12.123 3.822 9.964 1.00 0.00 C ATOM 780 CD LYS A 59 -12.607 5.264 9.805 1.00 0.00 C ATOM 781 CE LYS A 59 -14.024 5.392 10.365 1.00 0.00 C ATOM 782 NZ LYS A 59 -14.751 6.473 9.641 1.00 0.00 N ATOM 0 H LYS A 59 -10.177 2.840 11.513 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.623 1.499 8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.250 4.429 9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.272 3.489 8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.929 3.128 9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.837 3.635 10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.935 5.944 10.329 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.593 5.549 8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.556 4.447 10.257 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.986 5.616 11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.715 6.559 10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.247 7.374 9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.799 6.241 8.628 1.00 0.00 H new ATOM 796 N TYR A 60 -8.193 1.852 8.245 1.00 0.00 N ATOM 797 CA TYR A 60 -6.729 1.936 8.016 1.00 0.00 C ATOM 798 C TYR A 60 -6.450 2.856 6.846 1.00 0.00 C ATOM 799 O TYR A 60 -6.426 2.432 5.708 1.00 0.00 O ATOM 800 CB TYR A 60 -6.186 0.550 7.716 1.00 0.00 C ATOM 801 CG TYR A 60 -6.051 -0.259 8.998 1.00 0.00 C ATOM 802 CD1 TYR A 60 -7.170 -0.492 9.818 1.00 0.00 C ATOM 803 CD2 TYR A 60 -4.809 -0.803 9.360 1.00 0.00 C ATOM 804 CE1 TYR A 60 -7.042 -1.257 10.980 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.687 -1.570 10.520 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.802 -1.799 11.330 1.00 0.00 C ATOM 807 OH TYR A 60 -5.679 -2.559 12.474 1.00 0.00 O ATOM 0 H TYR A 60 -8.711 1.289 7.570 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.243 2.332 8.908 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.851 0.035 7.022 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.215 0.631 7.227 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.131 -0.078 9.549 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.944 -0.627 8.738 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.903 -1.430 11.609 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.729 -1.987 10.792 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.751 -2.859 12.569 1.00 0.00 H new ATOM 817 N ILE A 61 -6.220 4.109 7.099 1.00 0.00 N ATOM 818 CA ILE A 61 -5.935 5.015 5.979 1.00 0.00 C ATOM 819 C ILE A 61 -4.482 4.831 5.595 1.00 0.00 C ATOM 820 O ILE A 61 -3.609 4.734 6.425 1.00 0.00 O ATOM 821 CB ILE A 61 -6.153 6.458 6.390 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.151 6.544 7.549 1.00 0.00 C ATOM 823 CG2 ILE A 61 -6.681 7.257 5.197 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.375 5.680 7.239 1.00 0.00 C ATOM 0 H ILE A 61 -6.218 4.535 8.026 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.599 4.787 5.145 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.201 6.875 6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.680 6.207 8.473 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.454 7.579 7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.837 8.294 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.957 7.218 4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.626 6.829 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.083 5.743 8.065 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.850 6.037 6.325 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.064 4.644 7.105 1.00 0.00 H new ATOM 836 N LEU A 62 -4.226 4.742 4.348 1.00 0.00 N ATOM 837 CA LEU A 62 -2.875 4.528 3.879 1.00 0.00 C ATOM 838 C LEU A 62 -2.611 5.478 2.734 1.00 0.00 C ATOM 839 O LEU A 62 -3.470 5.742 1.927 1.00 0.00 O ATOM 840 CB LEU A 62 -2.862 3.132 3.342 1.00 0.00 C ATOM 841 CG LEU A 62 -1.493 2.482 3.439 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.468 3.376 2.772 1.00 0.00 C ATOM 843 CD2 LEU A 62 -1.136 2.264 4.897 1.00 0.00 C ATOM 0 H LEU A 62 -4.928 4.812 3.611 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.133 4.683 4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.586 2.529 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.181 3.144 2.300 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.505 1.516 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.517 2.914 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.733 3.515 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.449 4.344 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.153 1.797 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.119 3.223 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.879 1.615 5.360 1.00 0.00 H new ATOM 855 N GLN A 63 -1.434 5.952 2.631 1.00 0.00 N ATOM 856 CA GLN A 63 -1.097 6.820 1.507 1.00 0.00 C ATOM 857 C GLN A 63 0.344 6.589 1.193 1.00 0.00 C ATOM 858 O GLN A 63 1.167 6.414 2.067 1.00 0.00 O ATOM 859 CB GLN A 63 -1.249 8.269 1.835 1.00 0.00 C ATOM 860 CG GLN A 63 -2.714 8.694 1.743 1.00 0.00 C ATOM 861 CD GLN A 63 -3.333 8.706 3.142 1.00 0.00 C ATOM 862 OE1 GLN A 63 -3.404 7.685 3.796 1.00 0.00 O ATOM 863 NE2 GLN A 63 -3.784 9.828 3.634 1.00 0.00 N ATOM 0 H GLN A 63 -0.674 5.774 3.288 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.768 6.586 0.680 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.872 8.461 2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.648 8.867 1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.789 9.684 1.293 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.262 8.008 1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.725 10.686 3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.196 9.847 4.567 1.00 0.00 H new ATOM 872 N VAL A 64 0.648 6.631 -0.034 1.00 0.00 N ATOM 873 CA VAL A 64 2.057 6.438 -0.463 1.00 0.00 C ATOM 874 C VAL A 64 2.184 6.847 -1.928 1.00 0.00 C ATOM 875 O VAL A 64 1.325 6.550 -2.731 1.00 0.00 O ATOM 876 CB VAL A 64 2.505 4.947 -0.321 1.00 0.00 C ATOM 877 CG1 VAL A 64 2.011 4.324 0.987 1.00 0.00 C ATOM 878 CG2 VAL A 64 1.955 4.133 -1.479 1.00 0.00 C ATOM 0 H VAL A 64 -0.016 6.793 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 64 2.694 7.050 0.176 1.00 0.00 H new ATOM 0 HB VAL A 64 3.595 4.935 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.344 3.288 1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.414 4.883 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.922 4.357 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.270 3.095 -1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.866 4.184 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.334 4.535 -2.419 1.00 0.00 H new ATOM 888 N GLU A 65 3.254 7.496 -2.285 1.00 0.00 N ATOM 889 CA GLU A 65 3.448 7.873 -3.710 1.00 0.00 C ATOM 890 C GLU A 65 4.002 6.642 -4.418 1.00 0.00 C ATOM 891 O GLU A 65 5.148 6.597 -4.779 1.00 0.00 O ATOM 892 CB GLU A 65 4.442 9.031 -3.814 1.00 0.00 C ATOM 893 CG GLU A 65 4.215 10.003 -2.653 1.00 0.00 C ATOM 894 CD GLU A 65 5.021 11.280 -2.891 1.00 0.00 C ATOM 895 OE1 GLU A 65 5.634 11.385 -3.940 1.00 0.00 O ATOM 896 OE2 GLU A 65 5.012 12.135 -2.020 1.00 0.00 O ATOM 0 H GLU A 65 4.002 7.781 -1.653 1.00 0.00 H new ATOM 0 HA GLU A 65 2.510 8.196 -4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.463 8.651 -3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.316 9.548 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.155 10.241 -2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.516 9.540 -1.713 1.00 0.00 H new ATOM 903 N ILE A 66 3.170 5.649 -4.595 1.00 0.00 N ATOM 904 CA ILE A 66 3.586 4.359 -5.248 1.00 0.00 C ATOM 905 C ILE A 66 4.600 4.640 -6.344 1.00 0.00 C ATOM 906 O ILE A 66 4.682 5.716 -6.888 1.00 0.00 O ATOM 907 CB ILE A 66 2.354 3.681 -5.907 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.027 4.242 -5.387 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.338 2.176 -5.652 1.00 0.00 C ATOM 910 CD1 ILE A 66 0.793 3.742 -3.964 1.00 0.00 C ATOM 0 H ILE A 66 2.192 5.674 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 66 4.017 3.710 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 66 2.450 3.891 -6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.048 5.332 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.208 3.929 -6.034 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.462 1.736 -6.128 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.240 1.727 -6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.300 1.989 -4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.151 4.139 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.755 2.653 -3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.608 4.077 -3.322 1.00 0.00 H new ATOM 922 N GLY A 67 5.356 3.655 -6.683 1.00 0.00 N ATOM 923 CA GLY A 67 6.342 3.819 -7.764 1.00 0.00 C ATOM 924 C GLY A 67 6.320 2.511 -8.583 1.00 0.00 C ATOM 925 O GLY A 67 5.610 1.579 -8.233 1.00 0.00 O ATOM 0 H GLY A 67 5.334 2.730 -6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.090 4.674 -8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.336 4.005 -7.357 1.00 0.00 H new ATOM 929 N ARG A 68 7.068 2.396 -9.651 1.00 0.00 N ATOM 930 CA ARG A 68 7.009 1.125 -10.428 1.00 0.00 C ATOM 931 C ARG A 68 8.398 0.542 -10.604 1.00 0.00 C ATOM 932 O ARG A 68 9.381 1.218 -10.427 1.00 0.00 O ATOM 933 CB ARG A 68 6.412 1.395 -11.810 1.00 0.00 C ATOM 934 CG ARG A 68 4.894 1.544 -11.690 1.00 0.00 C ATOM 935 CD ARG A 68 4.411 2.652 -12.626 1.00 0.00 C ATOM 936 NE ARG A 68 3.000 2.999 -12.297 1.00 0.00 N ATOM 937 CZ ARG A 68 2.358 3.872 -13.023 1.00 0.00 C ATOM 938 NH1 ARG A 68 3.017 4.715 -13.767 1.00 0.00 N ATOM 939 NH2 ARG A 68 1.052 3.900 -13.008 1.00 0.00 N ATOM 0 H ARG A 68 7.702 3.109 -10.011 1.00 0.00 H new ATOM 0 HA ARG A 68 6.388 0.416 -9.880 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.845 2.301 -12.234 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.655 0.578 -12.489 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.405 0.603 -11.942 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.622 1.779 -10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.046 3.532 -12.524 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.484 2.324 -13.663 1.00 0.00 H new ATOM 0 HE ARG A 68 2.536 2.554 -11.505 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.037 4.693 -13.782 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.513 5.397 -14.334 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.534 3.239 -12.429 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.550 4.583 -13.576 1.00 0.00 H new ATOM 953 N THR A 69 8.461 -0.705 -10.995 1.00 0.00 N ATOM 954 CA THR A 69 9.743 -1.381 -11.247 1.00 0.00 C ATOM 955 C THR A 69 9.610 -2.007 -12.630 1.00 0.00 C ATOM 956 O THR A 69 8.873 -2.958 -12.817 1.00 0.00 O ATOM 957 CB THR A 69 10.016 -2.446 -10.178 1.00 0.00 C ATOM 958 OG1 THR A 69 9.680 -3.730 -10.678 1.00 0.00 O ATOM 959 CG2 THR A 69 9.212 -2.154 -8.906 1.00 0.00 C ATOM 0 H THR A 69 7.641 -1.291 -11.152 1.00 0.00 H new ATOM 0 HA THR A 69 10.582 -0.687 -11.205 1.00 0.00 H new ATOM 0 HB THR A 69 11.077 -2.423 -9.930 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.689 -4.379 -9.944 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.420 -2.921 -8.160 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.496 -1.178 -8.512 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.147 -2.155 -9.140 1.00 0.00 H new ATOM 967 N THR A 70 10.251 -1.421 -13.615 1.00 0.00 N ATOM 968 CA THR A 70 10.100 -1.933 -15.016 1.00 0.00 C ATOM 969 C THR A 70 10.439 -3.436 -15.102 1.00 0.00 C ATOM 970 O THR A 70 9.888 -4.229 -14.367 1.00 0.00 O ATOM 971 CB THR A 70 10.965 -1.110 -15.992 1.00 0.00 C ATOM 972 OG1 THR A 70 10.736 -1.563 -17.318 1.00 0.00 O ATOM 973 CG2 THR A 70 12.454 -1.246 -15.657 1.00 0.00 C ATOM 0 H THR A 70 10.868 -0.616 -13.511 1.00 0.00 H new ATOM 0 HA THR A 70 9.056 -1.816 -15.307 1.00 0.00 H new ATOM 0 HB THR A 70 10.687 -0.060 -15.900 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.283 -1.041 -17.941 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.041 -0.656 -16.361 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.633 -0.886 -14.644 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.749 -2.293 -15.728 1.00 0.00 H new ATOM 981 N CYS A 71 11.300 -3.856 -16.012 1.00 0.00 N ATOM 982 CA CYS A 71 11.593 -5.317 -16.137 1.00 0.00 C ATOM 983 C CYS A 71 10.277 -6.099 -15.971 1.00 0.00 C ATOM 984 O CYS A 71 9.997 -6.651 -14.927 1.00 0.00 O ATOM 985 CB CYS A 71 12.644 -5.752 -15.097 1.00 0.00 C ATOM 986 SG CYS A 71 11.976 -5.722 -13.412 1.00 0.00 S ATOM 0 H CYS A 71 11.803 -3.253 -16.663 1.00 0.00 H new ATOM 0 HA CYS A 71 12.012 -5.529 -17.121 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.993 -6.758 -15.332 1.00 0.00 H new ATOM 0 HB3 CYS A 71 13.509 -5.092 -15.157 1.00 0.00 H new ATOM 991 N PRO A 72 9.489 -6.089 -17.014 1.00 0.00 N ATOM 992 CA PRO A 72 8.149 -6.755 -17.038 1.00 0.00 C ATOM 993 C PRO A 72 8.291 -8.273 -17.033 1.00 0.00 C ATOM 994 O PRO A 72 8.099 -8.926 -16.028 1.00 0.00 O ATOM 995 CB PRO A 72 7.535 -6.254 -18.341 1.00 0.00 C ATOM 996 CG PRO A 72 8.690 -5.840 -19.239 1.00 0.00 C ATOM 997 CD PRO A 72 9.839 -5.431 -18.317 1.00 0.00 C ATOM 0 HA PRO A 72 7.537 -6.523 -16.166 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.939 -7.035 -18.813 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.868 -5.412 -18.156 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.989 -6.663 -19.889 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.400 -5.012 -19.886 1.00 0.00 H new ATOM 0 HD2 PRO A 72 10.801 -5.776 -18.696 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.907 -4.348 -18.215 1.00 0.00 H new ATOM 1005 N LYS A 73 8.626 -8.835 -18.150 1.00 0.00 N ATOM 1006 CA LYS A 73 8.784 -10.315 -18.220 1.00 0.00 C ATOM 1007 C LYS A 73 10.243 -10.661 -18.515 1.00 0.00 C ATOM 1008 O LYS A 73 10.964 -11.120 -17.652 1.00 0.00 O ATOM 1009 CB LYS A 73 7.893 -10.878 -19.329 1.00 0.00 C ATOM 1010 CG LYS A 73 7.202 -12.146 -18.826 1.00 0.00 C ATOM 1011 CD LYS A 73 7.849 -13.374 -19.471 1.00 0.00 C ATOM 1012 CE LYS A 73 7.105 -14.633 -19.022 1.00 0.00 C ATOM 1013 NZ LYS A 73 7.823 -15.249 -17.870 1.00 0.00 N ATOM 0 H LYS A 73 8.799 -8.338 -19.023 1.00 0.00 H new ATOM 0 HA LYS A 73 8.492 -10.752 -17.265 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.150 -10.138 -19.625 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.490 -11.102 -20.213 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.281 -12.209 -17.741 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.140 -12.113 -19.067 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.818 -13.287 -20.557 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.899 -13.438 -19.186 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.084 -14.382 -18.736 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.040 -15.344 -19.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.318 -16.105 -17.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.790 -15.502 -18.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.863 -14.571 -17.083 1.00 0.00 H new ATOM 1027 N SER A 74 10.691 -10.446 -19.728 1.00 0.00 N ATOM 1028 CA SER A 74 12.104 -10.767 -20.070 1.00 0.00 C ATOM 1029 C SER A 74 12.430 -12.198 -19.624 1.00 0.00 C ATOM 1030 O SER A 74 12.276 -13.137 -20.378 1.00 0.00 O ATOM 1031 CB SER A 74 13.038 -9.787 -19.355 1.00 0.00 C ATOM 1032 OG SER A 74 14.369 -10.280 -19.407 1.00 0.00 O ATOM 0 H SER A 74 10.136 -10.062 -20.493 1.00 0.00 H new ATOM 0 HA SER A 74 12.242 -10.683 -21.148 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.983 -8.806 -19.826 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.726 -9.660 -18.318 1.00 0.00 H new ATOM 0 HG SER A 74 14.968 -9.653 -18.951 1.00 0.00 H new ATOM 1038 N SER A 75 12.880 -12.376 -18.403 1.00 0.00 N ATOM 1039 CA SER A 75 13.210 -13.748 -17.928 1.00 0.00 C ATOM 1040 C SER A 75 14.065 -13.655 -16.668 1.00 0.00 C ATOM 1041 O SER A 75 13.574 -13.742 -15.559 1.00 0.00 O ATOM 1042 CB SER A 75 13.985 -14.492 -19.017 1.00 0.00 C ATOM 1043 OG SER A 75 13.171 -15.522 -19.558 1.00 0.00 O ATOM 0 H SER A 75 13.031 -11.631 -17.722 1.00 0.00 H new ATOM 0 HA SER A 75 12.290 -14.288 -17.705 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.284 -13.799 -19.804 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.899 -14.916 -18.602 1.00 0.00 H new ATOM 0 HG SER A 75 12.504 -15.130 -20.159 1.00 0.00 H new ATOM 1049 N GLY A 76 15.337 -13.477 -16.837 1.00 0.00 N ATOM 1050 CA GLY A 76 16.245 -13.373 -15.661 1.00 0.00 C ATOM 1051 C GLY A 76 17.495 -12.581 -16.051 1.00 0.00 C ATOM 1052 O GLY A 76 18.004 -11.790 -15.283 1.00 0.00 O ATOM 0 H GLY A 76 15.796 -13.398 -17.745 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.732 -12.881 -14.835 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.525 -14.368 -15.315 1.00 0.00 H new ATOM 1056 N ASP A 77 17.992 -12.792 -17.239 1.00 0.00 N ATOM 1057 CA ASP A 77 19.211 -12.056 -17.683 1.00 0.00 C ATOM 1058 C ASP A 77 20.237 -12.037 -16.548 1.00 0.00 C ATOM 1059 O ASP A 77 20.239 -12.895 -15.688 1.00 0.00 O ATOM 1060 CB ASP A 77 18.836 -10.620 -18.068 1.00 0.00 C ATOM 1061 CG ASP A 77 18.558 -9.802 -16.806 1.00 0.00 C ATOM 1062 OD1 ASP A 77 17.420 -9.794 -16.367 1.00 0.00 O ATOM 1063 OD2 ASP A 77 19.488 -9.198 -16.299 1.00 0.00 O ATOM 0 H ASP A 77 17.606 -13.443 -17.923 1.00 0.00 H new ATOM 0 HA ASP A 77 19.641 -12.557 -18.550 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.645 -10.163 -18.638 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.956 -10.624 -18.711 1.00 0.00 H new ATOM 1068 N LEU A 78 21.113 -11.071 -16.539 1.00 0.00 N ATOM 1069 CA LEU A 78 22.140 -11.008 -15.460 1.00 0.00 C ATOM 1070 C LEU A 78 21.501 -10.481 -14.172 1.00 0.00 C ATOM 1071 O LEU A 78 21.273 -11.220 -13.236 1.00 0.00 O ATOM 1072 CB LEU A 78 23.268 -10.069 -15.884 1.00 0.00 C ATOM 1073 CG LEU A 78 24.419 -10.888 -16.468 1.00 0.00 C ATOM 1074 CD1 LEU A 78 24.286 -10.937 -17.990 1.00 0.00 C ATOM 1075 CD2 LEU A 78 25.750 -10.234 -16.091 1.00 0.00 C ATOM 0 H LEU A 78 21.163 -10.323 -17.231 1.00 0.00 H new ATOM 0 HA LEU A 78 22.541 -12.007 -15.286 1.00 0.00 H new ATOM 0 HB2 LEU A 78 22.903 -9.355 -16.623 1.00 0.00 H new ATOM 0 HB3 LEU A 78 23.616 -9.491 -15.028 1.00 0.00 H new ATOM 0 HG LEU A 78 24.387 -11.902 -16.068 1.00 0.00 H new ATOM 0 HD11 LEU A 78 25.106 -11.521 -18.408 1.00 0.00 H new ATOM 0 HD12 LEU A 78 23.337 -11.401 -18.258 1.00 0.00 H new ATOM 0 HD13 LEU A 78 24.320 -9.924 -18.391 1.00 0.00 H new ATOM 0 HD21 LEU A 78 26.572 -10.817 -16.507 1.00 0.00 H new ATOM 0 HD22 LEU A 78 25.784 -9.221 -16.492 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.843 -10.198 -15.006 1.00 0.00 H new ATOM 1087 N GLN A 79 21.214 -9.206 -14.113 1.00 0.00 N ATOM 1088 CA GLN A 79 20.595 -8.640 -12.882 1.00 0.00 C ATOM 1089 C GLN A 79 20.215 -7.182 -13.138 1.00 0.00 C ATOM 1090 O GLN A 79 20.996 -6.414 -13.663 1.00 0.00 O ATOM 1091 CB GLN A 79 21.601 -8.709 -11.731 1.00 0.00 C ATOM 1092 CG GLN A 79 21.147 -9.757 -10.713 1.00 0.00 C ATOM 1093 CD GLN A 79 22.360 -10.267 -9.933 1.00 0.00 C ATOM 1094 OE1 GLN A 79 22.330 -11.347 -9.378 1.00 0.00 O ATOM 1095 NE2 GLN A 79 23.435 -9.529 -9.866 1.00 0.00 N ATOM 0 H GLN A 79 21.382 -8.536 -14.863 1.00 0.00 H new ATOM 0 HA GLN A 79 19.704 -9.212 -12.621 1.00 0.00 H new ATOM 0 HB2 GLN A 79 22.589 -8.964 -12.114 1.00 0.00 H new ATOM 0 HB3 GLN A 79 21.686 -7.734 -11.251 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.417 -9.323 -10.029 1.00 0.00 H new ATOM 0 HG3 GLN A 79 20.654 -10.585 -11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 79 23.461 -8.622 -10.332 1.00 0.00 H new ATOM 0 HE22 GLN A 79 24.249 -9.860 -9.348 1.00 0.00 H new ATOM 1104 N SER A 80 19.024 -6.790 -12.777 1.00 0.00 N ATOM 1105 CA SER A 80 18.615 -5.380 -13.014 1.00 0.00 C ATOM 1106 C SER A 80 17.289 -5.081 -12.310 1.00 0.00 C ATOM 1107 O SER A 80 17.261 -4.720 -11.152 1.00 0.00 O ATOM 1108 CB SER A 80 18.466 -5.138 -14.518 1.00 0.00 C ATOM 1109 OG SER A 80 19.752 -5.024 -15.109 1.00 0.00 O ATOM 0 H SER A 80 18.322 -7.381 -12.332 1.00 0.00 H new ATOM 0 HA SER A 80 19.381 -4.718 -12.610 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.915 -5.959 -14.976 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.891 -4.229 -14.696 1.00 0.00 H new ATOM 0 HG SER A 80 20.436 -5.279 -14.456 1.00 0.00 H new ATOM 1115 N CYS A 81 16.199 -5.205 -13.015 1.00 0.00 N ATOM 1116 CA CYS A 81 14.864 -4.902 -12.415 1.00 0.00 C ATOM 1117 C CYS A 81 14.970 -3.645 -11.560 1.00 0.00 C ATOM 1118 O CYS A 81 15.335 -3.694 -10.403 1.00 0.00 O ATOM 1119 CB CYS A 81 14.374 -6.053 -11.538 1.00 0.00 C ATOM 1120 SG CYS A 81 13.146 -7.051 -12.430 1.00 0.00 S ATOM 0 H CYS A 81 16.173 -5.506 -13.989 1.00 0.00 H new ATOM 0 HA CYS A 81 14.153 -4.757 -13.228 1.00 0.00 H new ATOM 0 HB2 CYS A 81 15.217 -6.679 -11.244 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.935 -5.659 -10.621 1.00 0.00 H new ATOM 1125 N GLU A 82 14.655 -2.516 -12.119 1.00 0.00 N ATOM 1126 CA GLU A 82 14.747 -1.262 -11.330 1.00 0.00 C ATOM 1127 C GLU A 82 13.508 -0.402 -11.561 1.00 0.00 C ATOM 1128 O GLU A 82 12.852 -0.483 -12.586 1.00 0.00 O ATOM 1129 CB GLU A 82 15.989 -0.480 -11.760 1.00 0.00 C ATOM 1130 CG GLU A 82 16.986 -0.430 -10.601 1.00 0.00 C ATOM 1131 CD GLU A 82 16.345 0.277 -9.407 1.00 0.00 C ATOM 1132 OE1 GLU A 82 16.042 1.453 -9.532 1.00 0.00 O ATOM 1133 OE2 GLU A 82 16.165 -0.369 -8.387 1.00 0.00 O ATOM 0 H GLU A 82 14.339 -2.406 -13.083 1.00 0.00 H new ATOM 0 HA GLU A 82 14.815 -1.515 -10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.448 -0.953 -12.628 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.710 0.531 -12.058 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.286 -1.440 -10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.890 0.097 -10.907 1.00 0.00 H new ATOM 1140 N PHE A 83 13.181 0.412 -10.593 1.00 0.00 N ATOM 1141 CA PHE A 83 11.993 1.289 -10.711 1.00 0.00 C ATOM 1142 C PHE A 83 11.845 1.785 -12.158 1.00 0.00 C ATOM 1143 O PHE A 83 10.985 1.335 -12.885 1.00 0.00 O ATOM 1144 CB PHE A 83 12.114 2.439 -9.736 1.00 0.00 C ATOM 1145 CG PHE A 83 11.081 2.238 -8.648 1.00 0.00 C ATOM 1146 CD1 PHE A 83 10.763 0.940 -8.210 1.00 0.00 C ATOM 1147 CD2 PHE A 83 10.439 3.339 -8.084 1.00 0.00 C ATOM 1148 CE1 PHE A 83 9.801 0.750 -7.209 1.00 0.00 C ATOM 1149 CE2 PHE A 83 9.472 3.150 -7.089 1.00 0.00 C ATOM 1150 CZ PHE A 83 9.149 1.863 -6.649 1.00 0.00 C ATOM 0 H PHE A 83 13.696 0.503 -9.717 1.00 0.00 H new ATOM 0 HA PHE A 83 11.093 0.727 -10.462 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.116 2.473 -9.309 1.00 0.00 H new ATOM 0 HB3 PHE A 83 11.952 3.389 -10.245 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.262 0.087 -8.646 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.687 4.337 -8.414 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.561 -0.247 -6.869 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.972 4.005 -6.658 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.402 1.724 -5.882 1.00 0.00 H new ATOM 1160 N HIS A 84 12.696 2.668 -12.602 1.00 0.00 N ATOM 1161 CA HIS A 84 12.618 3.124 -14.022 1.00 0.00 C ATOM 1162 C HIS A 84 13.930 3.799 -14.389 1.00 0.00 C ATOM 1163 O HIS A 84 13.971 4.905 -14.889 1.00 0.00 O ATOM 1164 CB HIS A 84 11.451 4.069 -14.256 1.00 0.00 C ATOM 1165 CG HIS A 84 10.466 3.426 -15.192 1.00 0.00 C ATOM 1166 ND1 HIS A 84 10.764 3.178 -16.522 1.00 0.00 N ATOM 1167 CD2 HIS A 84 9.183 2.975 -15.004 1.00 0.00 C ATOM 1168 CE1 HIS A 84 9.683 2.601 -17.079 1.00 0.00 C ATOM 1169 NE2 HIS A 84 8.692 2.453 -16.197 1.00 0.00 N ATOM 0 H HIS A 84 13.439 3.093 -12.048 1.00 0.00 H new ATOM 0 HA HIS A 84 12.450 2.254 -14.657 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.967 4.308 -13.309 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.809 5.009 -14.677 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.638 3.019 -14.073 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.625 2.295 -18.113 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.772 2.045 -16.362 1.00 0.00 H new ATOM 1177 N ASP A 85 15.002 3.105 -14.153 1.00 0.00 N ATOM 1178 CA ASP A 85 16.349 3.639 -14.485 1.00 0.00 C ATOM 1179 C ASP A 85 16.738 4.785 -13.544 1.00 0.00 C ATOM 1180 O ASP A 85 17.729 5.450 -13.766 1.00 0.00 O ATOM 1181 CB ASP A 85 16.347 4.149 -15.929 1.00 0.00 C ATOM 1182 CG ASP A 85 17.631 3.698 -16.631 1.00 0.00 C ATOM 1183 OD1 ASP A 85 18.641 4.362 -16.460 1.00 0.00 O ATOM 1184 OD2 ASP A 85 17.581 2.700 -17.331 1.00 0.00 O ATOM 0 H ASP A 85 15.003 2.174 -13.737 1.00 0.00 H new ATOM 0 HA ASP A 85 17.077 2.836 -14.367 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.476 3.766 -16.460 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.275 5.237 -15.942 1.00 0.00 H new ATOM 1189 N GLU A 86 15.989 5.036 -12.494 1.00 0.00 N ATOM 1190 CA GLU A 86 16.383 6.156 -11.582 1.00 0.00 C ATOM 1191 C GLU A 86 15.290 6.432 -10.528 1.00 0.00 C ATOM 1192 O GLU A 86 14.115 6.402 -10.836 1.00 0.00 O ATOM 1193 CB GLU A 86 16.606 7.416 -12.431 1.00 0.00 C ATOM 1194 CG GLU A 86 16.616 8.668 -11.548 1.00 0.00 C ATOM 1195 CD GLU A 86 17.939 9.412 -11.738 1.00 0.00 C ATOM 1196 OE1 GLU A 86 18.268 9.715 -12.873 1.00 0.00 O ATOM 1197 OE2 GLU A 86 18.602 9.665 -10.746 1.00 0.00 O ATOM 0 H GLU A 86 15.144 4.528 -12.234 1.00 0.00 H new ATOM 0 HA GLU A 86 17.295 5.879 -11.053 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.551 7.336 -12.968 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.819 7.500 -13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.780 9.317 -11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.489 8.390 -10.502 1.00 0.00 H new ATOM 1204 N PRO A 87 15.723 6.730 -9.313 1.00 0.00 N ATOM 1205 CA PRO A 87 14.824 7.066 -8.166 1.00 0.00 C ATOM 1206 C PRO A 87 14.565 8.570 -8.141 1.00 0.00 C ATOM 1207 O PRO A 87 13.439 9.029 -8.104 1.00 0.00 O ATOM 1208 CB PRO A 87 15.654 6.651 -6.958 1.00 0.00 C ATOM 1209 CG PRO A 87 17.121 6.693 -7.380 1.00 0.00 C ATOM 1210 CD PRO A 87 17.169 6.765 -8.913 1.00 0.00 C ATOM 0 HA PRO A 87 13.850 6.579 -8.208 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.476 7.324 -6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.378 5.650 -6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.620 7.558 -6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.646 5.807 -7.023 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.658 7.677 -9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.723 5.927 -9.337 1.00 0.00 H new ATOM 1218 N GLU A 88 15.622 9.319 -8.152 1.00 0.00 N ATOM 1219 CA GLU A 88 15.529 10.806 -8.117 1.00 0.00 C ATOM 1220 C GLU A 88 14.303 11.315 -8.882 1.00 0.00 C ATOM 1221 O GLU A 88 13.683 12.278 -8.481 1.00 0.00 O ATOM 1222 CB GLU A 88 16.790 11.401 -8.743 1.00 0.00 C ATOM 1223 CG GLU A 88 17.704 11.941 -7.641 1.00 0.00 C ATOM 1224 CD GLU A 88 18.322 10.772 -6.871 1.00 0.00 C ATOM 1225 OE1 GLU A 88 18.991 9.965 -7.494 1.00 0.00 O ATOM 1226 OE2 GLU A 88 18.114 10.704 -5.671 1.00 0.00 O ATOM 0 H GLU A 88 16.575 8.958 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 88 15.432 11.114 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.313 10.641 -9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.523 12.202 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.489 12.559 -8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.136 12.577 -6.962 1.00 0.00 H new ATOM 1233 N LEU A 89 13.946 10.710 -9.985 1.00 0.00 N ATOM 1234 CA LEU A 89 12.769 11.224 -10.736 1.00 0.00 C ATOM 1235 C LEU A 89 12.031 10.074 -11.422 1.00 0.00 C ATOM 1236 O LEU A 89 11.666 10.172 -12.577 1.00 0.00 O ATOM 1237 CB LEU A 89 13.238 12.219 -11.803 1.00 0.00 C ATOM 1238 CG LEU A 89 14.298 13.156 -11.216 1.00 0.00 C ATOM 1239 CD1 LEU A 89 14.968 13.941 -12.346 1.00 0.00 C ATOM 1240 CD2 LEU A 89 13.636 14.135 -10.243 1.00 0.00 C ATOM 0 H LEU A 89 14.410 9.897 -10.390 1.00 0.00 H new ATOM 0 HA LEU A 89 12.095 11.716 -10.034 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.649 11.682 -12.658 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.391 12.799 -12.169 1.00 0.00 H new ATOM 0 HG LEU A 89 15.046 12.567 -10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.722 14.608 -11.928 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.442 13.247 -13.040 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.218 14.528 -12.876 1.00 0.00 H new ATOM 0 HD21 LEU A 89 14.392 14.801 -9.826 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.886 14.723 -10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 89 13.158 13.579 -9.436 1.00 0.00 H new ATOM 1252 N ALA A 90 11.797 8.984 -10.740 1.00 0.00 N ATOM 1253 CA ALA A 90 11.069 7.865 -11.402 1.00 0.00 C ATOM 1254 C ALA A 90 9.564 8.103 -11.315 1.00 0.00 C ATOM 1255 O ALA A 90 8.768 7.214 -11.542 1.00 0.00 O ATOM 1256 CB ALA A 90 11.396 6.546 -10.708 1.00 0.00 C ATOM 0 H ALA A 90 12.073 8.822 -9.771 1.00 0.00 H new ATOM 0 HA ALA A 90 11.378 7.819 -12.446 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.859 5.734 -11.199 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.468 6.360 -10.767 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.094 6.601 -9.662 1.00 0.00 H new ATOM 1262 N LYS A 91 9.180 9.286 -10.948 1.00 0.00 N ATOM 1263 CA LYS A 91 7.758 9.611 -10.783 1.00 0.00 C ATOM 1264 C LYS A 91 7.124 8.577 -9.897 1.00 0.00 C ATOM 1265 O LYS A 91 7.703 7.564 -9.553 1.00 0.00 O ATOM 1266 CB LYS A 91 6.985 9.641 -12.084 1.00 0.00 C ATOM 1267 CG LYS A 91 7.931 9.901 -13.258 1.00 0.00 C ATOM 1268 CD LYS A 91 8.712 11.191 -13.001 1.00 0.00 C ATOM 1269 CE LYS A 91 8.488 12.166 -14.159 1.00 0.00 C ATOM 1270 NZ LYS A 91 7.055 12.577 -14.191 1.00 0.00 N ATOM 0 H LYS A 91 9.817 10.058 -10.752 1.00 0.00 H new ATOM 0 HA LYS A 91 7.718 10.612 -10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.467 8.693 -12.229 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.222 10.419 -12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.619 9.064 -13.378 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.364 9.984 -14.185 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.388 11.643 -12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.775 10.970 -12.898 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.126 13.042 -14.040 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.764 11.696 -15.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.974 13.520 -14.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.510 11.891 -14.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.681 12.607 -13.221 1.00 0.00 H new ATOM 1284 N TYR A 92 5.948 8.865 -9.504 1.00 0.00 N ATOM 1285 CA TYR A 92 5.206 7.997 -8.599 1.00 0.00 C ATOM 1286 C TYR A 92 3.719 8.335 -8.708 1.00 0.00 C ATOM 1287 O TYR A 92 3.324 9.244 -9.409 1.00 0.00 O ATOM 1288 CB TYR A 92 5.710 8.336 -7.217 1.00 0.00 C ATOM 1289 CG TYR A 92 7.221 8.199 -7.181 1.00 0.00 C ATOM 1290 CD1 TYR A 92 7.817 6.933 -7.055 1.00 0.00 C ATOM 1291 CD2 TYR A 92 8.033 9.336 -7.314 1.00 0.00 C ATOM 1292 CE1 TYR A 92 9.214 6.811 -7.059 1.00 0.00 C ATOM 1293 CE2 TYR A 92 9.427 9.210 -7.313 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.017 7.948 -7.187 1.00 0.00 C ATOM 1295 OH TYR A 92 11.391 7.827 -7.192 1.00 0.00 O ATOM 0 H TYR A 92 5.445 9.707 -9.786 1.00 0.00 H new ATOM 0 HA TYR A 92 5.338 6.939 -8.826 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.420 9.353 -6.952 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.257 7.673 -6.480 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.199 6.053 -6.955 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.581 10.311 -7.417 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.670 5.837 -6.963 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.048 10.088 -7.410 1.00 0.00 H new ATOM 0 HH TYR A 92 11.783 8.567 -7.702 1.00 0.00 H new ATOM 1305 N THR A 93 2.905 7.622 -8.001 1.00 0.00 N ATOM 1306 CA THR A 93 1.447 7.894 -8.026 1.00 0.00 C ATOM 1307 C THR A 93 0.951 7.973 -6.584 1.00 0.00 C ATOM 1308 O THR A 93 1.450 7.294 -5.705 1.00 0.00 O ATOM 1309 CB THR A 93 0.709 6.785 -8.802 1.00 0.00 C ATOM 1310 OG1 THR A 93 -0.469 7.330 -9.380 1.00 0.00 O ATOM 1311 CG2 THR A 93 0.323 5.620 -7.879 1.00 0.00 C ATOM 0 H THR A 93 3.188 6.850 -7.397 1.00 0.00 H new ATOM 0 HA THR A 93 1.248 8.838 -8.534 1.00 0.00 H new ATOM 0 HB THR A 93 1.376 6.403 -9.575 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.943 6.631 -9.877 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.196 4.855 -8.456 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.223 5.193 -7.436 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.333 5.984 -7.088 1.00 0.00 H new ATOM 1319 N THR A 94 -0.021 8.794 -6.332 1.00 0.00 N ATOM 1320 CA THR A 94 -0.544 8.916 -4.948 1.00 0.00 C ATOM 1321 C THR A 94 -1.683 7.932 -4.773 1.00 0.00 C ATOM 1322 O THR A 94 -2.765 8.111 -5.295 1.00 0.00 O ATOM 1323 CB THR A 94 -1.044 10.342 -4.700 1.00 0.00 C ATOM 1324 OG1 THR A 94 -0.018 11.265 -5.030 1.00 0.00 O ATOM 1325 CG2 THR A 94 -1.423 10.502 -3.225 1.00 0.00 C ATOM 0 H THR A 94 -0.478 9.388 -7.024 1.00 0.00 H new ATOM 0 HA THR A 94 0.249 8.698 -4.233 1.00 0.00 H new ATOM 0 HB THR A 94 -1.919 10.534 -5.321 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.337 12.178 -4.874 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.779 11.517 -3.049 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.211 9.792 -2.973 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.549 10.311 -2.602 1.00 0.00 H new ATOM 1333 N CYS A 95 -1.443 6.882 -4.051 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.499 5.877 -3.855 1.00 0.00 C ATOM 1335 C CYS A 95 -2.900 5.854 -2.385 1.00 0.00 C ATOM 1336 O CYS A 95 -2.089 6.106 -1.500 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.953 4.526 -4.274 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.303 3.476 -4.855 1.00 0.00 S ATOM 0 H CYS A 95 -0.556 6.680 -3.589 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.378 6.117 -4.454 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.212 4.652 -5.063 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.446 4.051 -3.434 1.00 0.00 H new ATOM 1343 N THR A 96 -4.145 5.563 -2.119 1.00 0.00 N ATOM 1344 CA THR A 96 -4.617 5.528 -0.715 1.00 0.00 C ATOM 1345 C THR A 96 -5.282 4.181 -0.431 1.00 0.00 C ATOM 1346 O THR A 96 -6.098 3.699 -1.201 1.00 0.00 O ATOM 1347 CB THR A 96 -5.630 6.652 -0.487 1.00 0.00 C ATOM 1348 OG1 THR A 96 -5.146 7.853 -1.073 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.834 6.861 1.015 1.00 0.00 C ATOM 0 H THR A 96 -4.854 5.348 -2.820 1.00 0.00 H new ATOM 0 HA THR A 96 -3.767 5.662 -0.046 1.00 0.00 H new ATOM 0 HB THR A 96 -6.581 6.382 -0.947 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.796 8.572 -0.928 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.556 7.662 1.176 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.208 5.940 1.463 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.884 7.130 1.477 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.939 3.573 0.673 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.536 2.266 1.035 1.00 0.00 C ATOM 1359 C PHE A 97 -6.405 2.450 2.274 1.00 0.00 C ATOM 1360 O PHE A 97 -5.983 3.034 3.251 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.439 1.256 1.372 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.290 1.301 0.357 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.461 1.844 -0.930 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -2.032 0.782 0.711 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.396 1.862 -1.830 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -0.975 0.805 -0.188 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.149 1.344 -1.462 1.00 0.00 C ATOM 0 H PHE A 97 -4.262 3.935 1.344 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.124 1.901 0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.051 1.461 2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.864 0.253 1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.419 2.248 -1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.887 0.360 1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.534 2.278 -2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.014 0.404 0.100 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.326 1.362 -2.161 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.604 1.945 2.264 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.455 2.094 3.477 1.00 0.00 C ATOM 1379 C VAL A 98 -8.878 0.700 3.928 1.00 0.00 C ATOM 1380 O VAL A 98 -9.699 0.057 3.304 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.676 2.955 3.149 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.799 2.686 4.155 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.282 4.432 3.212 1.00 0.00 C ATOM 0 H VAL A 98 -8.028 1.443 1.484 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.904 2.587 4.278 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.030 2.706 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.662 3.305 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.082 1.634 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.453 2.927 5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.149 5.050 2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.925 4.671 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.491 4.629 2.488 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.299 0.207 4.988 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.652 -1.165 5.436 1.00 0.00 C ATOM 1395 C VAL A 99 -9.439 -1.132 6.747 1.00 0.00 C ATOM 1396 O VAL A 99 -8.972 -0.653 7.755 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.362 -1.989 5.602 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.495 -2.966 6.774 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.124 -2.757 4.312 1.00 0.00 C ATOM 0 H VAL A 99 -7.604 0.691 5.557 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.288 -1.630 4.683 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.523 -1.325 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.574 -3.540 6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.679 -2.409 7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.327 -3.646 6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.214 -3.350 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.970 -3.418 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.017 -2.055 3.485 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.620 -1.678 6.746 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.421 -1.702 7.995 1.00 0.00 C ATOM 1411 C TYR A 100 -11.161 -3.022 8.733 1.00 0.00 C ATOM 1412 O TYR A 100 -11.340 -4.092 8.182 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.900 -1.586 7.650 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.600 -0.747 8.688 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.376 -0.987 10.047 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.467 0.276 8.290 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.022 -0.204 11.009 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -15.112 1.059 9.250 1.00 0.00 C ATOM 1419 CZ TYR A 100 -14.891 0.820 10.612 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.528 1.589 11.561 1.00 0.00 O ATOM 0 H TYR A 100 -11.064 -2.108 5.935 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.136 -0.866 8.634 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.019 -1.136 6.664 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.351 -2.577 7.605 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.705 -1.776 10.353 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.638 0.461 7.240 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -13.851 -0.389 12.059 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -15.781 1.849 8.942 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.190 1.043 12.034 1.00 0.00 H new ATOM 1430 N SER A 101 -10.739 -2.963 9.971 1.00 0.00 N ATOM 1431 CA SER A 101 -10.475 -4.213 10.728 1.00 0.00 C ATOM 1432 C SER A 101 -11.403 -4.249 11.957 1.00 0.00 C ATOM 1433 O SER A 101 -11.453 -3.311 12.739 1.00 0.00 O ATOM 1434 CB SER A 101 -9.010 -4.230 11.152 1.00 0.00 C ATOM 1435 OG SER A 101 -8.476 -5.530 10.965 1.00 0.00 O ATOM 0 H SER A 101 -10.567 -2.100 10.486 1.00 0.00 H new ATOM 0 HA SER A 101 -10.671 -5.091 10.112 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.443 -3.505 10.567 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.920 -3.936 12.198 1.00 0.00 H new ATOM 0 HG SER A 101 -7.534 -5.539 11.236 1.00 0.00 H new ATOM 1441 N ILE A 102 -12.145 -5.323 12.125 1.00 0.00 N ATOM 1442 CA ILE A 102 -13.079 -5.449 13.291 1.00 0.00 C ATOM 1443 C ILE A 102 -12.456 -6.467 14.268 1.00 0.00 C ATOM 1444 O ILE A 102 -12.401 -7.645 13.961 1.00 0.00 O ATOM 1445 CB ILE A 102 -14.441 -5.974 12.808 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.730 -5.467 11.383 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -15.548 -5.486 13.752 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.215 -4.013 11.427 1.00 0.00 C ATOM 0 H ILE A 102 -12.141 -6.125 11.495 1.00 0.00 H new ATOM 0 HA ILE A 102 -13.228 -4.483 13.774 1.00 0.00 H new ATOM 0 HB ILE A 102 -14.415 -7.064 12.804 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -13.829 -5.539 10.774 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -15.485 -6.096 10.911 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -16.512 -5.860 13.407 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -15.356 -5.855 14.760 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -15.564 -4.396 13.761 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.416 -3.666 10.414 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -16.128 -3.952 12.019 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -14.446 -3.387 11.879 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.978 -5.988 15.398 1.00 0.00 N ATOM 1461 CA PRO A 103 -11.309 -6.841 16.446 1.00 0.00 C ATOM 1462 C PRO A 103 -12.256 -7.876 17.069 1.00 0.00 C ATOM 1463 O PRO A 103 -11.957 -9.053 17.081 1.00 0.00 O ATOM 1464 CB PRO A 103 -10.839 -5.821 17.477 1.00 0.00 C ATOM 1465 CG PRO A 103 -11.702 -4.587 17.285 1.00 0.00 C ATOM 1466 CD PRO A 103 -12.042 -4.544 15.797 1.00 0.00 C ATOM 0 HA PRO A 103 -10.501 -7.443 16.030 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -10.944 -6.215 18.488 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -9.785 -5.583 17.335 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -12.606 -4.644 17.891 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -11.170 -3.686 17.591 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -13.030 -4.119 15.620 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -11.330 -3.938 15.237 1.00 0.00 H new ATOM 1474 N TRP A 104 -13.378 -7.476 17.608 1.00 0.00 N ATOM 1475 CA TRP A 104 -14.283 -8.493 18.229 1.00 0.00 C ATOM 1476 C TRP A 104 -14.725 -9.537 17.179 1.00 0.00 C ATOM 1477 O TRP A 104 -15.358 -10.520 17.513 1.00 0.00 O ATOM 1478 CB TRP A 104 -15.517 -7.806 18.836 1.00 0.00 C ATOM 1479 CG TRP A 104 -16.378 -7.247 17.751 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -17.282 -7.950 17.032 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -16.445 -5.878 17.263 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -17.874 -7.109 16.110 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -17.395 -5.820 16.216 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -15.774 -4.696 17.618 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -17.665 -4.631 15.542 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -16.048 -3.497 16.946 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.991 -3.465 15.909 1.00 0.00 C ATOM 0 H TRP A 104 -13.704 -6.510 17.646 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.735 -9.003 19.021 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -16.086 -8.521 19.430 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -15.204 -7.009 19.510 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -17.505 -8.999 17.158 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -18.578 -7.405 15.434 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -15.043 -4.711 18.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.390 -4.612 14.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.530 -2.593 17.229 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.196 -2.538 15.394 1.00 0.00 H new ATOM 1498 N LEU A 105 -14.419 -9.333 15.919 1.00 0.00 N ATOM 1499 CA LEU A 105 -14.834 -10.288 14.871 1.00 0.00 C ATOM 1500 C LEU A 105 -13.611 -10.754 14.080 1.00 0.00 C ATOM 1501 O LEU A 105 -13.727 -11.538 13.158 1.00 0.00 O ATOM 1502 CB LEU A 105 -15.729 -9.521 13.937 1.00 0.00 C ATOM 1503 CG LEU A 105 -17.038 -10.247 13.615 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -17.451 -9.911 12.181 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -16.882 -11.766 13.748 1.00 0.00 C ATOM 0 H LEU A 105 -13.891 -8.529 15.579 1.00 0.00 H new ATOM 0 HA LEU A 105 -15.329 -11.156 15.308 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.959 -8.552 14.380 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.192 -9.327 13.009 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.798 -9.918 14.324 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -18.383 -10.423 11.941 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -17.594 -8.835 12.086 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -16.671 -10.235 11.492 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -17.829 -12.251 13.513 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -16.114 -12.115 13.057 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.591 -12.014 14.769 1.00 0.00 H new ATOM 1517 N ASN A 106 -12.445 -10.273 14.427 1.00 0.00 N ATOM 1518 CA ASN A 106 -11.219 -10.666 13.698 1.00 0.00 C ATOM 1519 C ASN A 106 -11.526 -10.770 12.208 1.00 0.00 C ATOM 1520 O ASN A 106 -11.292 -11.782 11.576 1.00 0.00 O ATOM 1521 CB ASN A 106 -10.752 -11.996 14.255 1.00 0.00 C ATOM 1522 CG ASN A 106 -9.289 -12.234 13.875 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -9.003 -12.824 12.852 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -8.343 -11.800 14.663 1.00 0.00 N ATOM 0 H ASN A 106 -12.296 -9.618 15.194 1.00 0.00 H new ATOM 0 HA ASN A 106 -10.431 -9.924 13.826 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.861 -12.005 15.339 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -11.374 -12.802 13.865 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.365 -11.956 14.420 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.582 -11.305 15.522 1.00 0.00 H new ATOM 1531 N GLN A 107 -12.062 -9.720 11.650 1.00 0.00 N ATOM 1532 CA GLN A 107 -12.407 -9.738 10.200 1.00 0.00 C ATOM 1533 C GLN A 107 -11.946 -8.437 9.537 1.00 0.00 C ATOM 1534 O GLN A 107 -12.387 -7.360 9.882 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.923 -9.879 10.039 1.00 0.00 C ATOM 1536 CG GLN A 107 -14.244 -10.363 8.624 1.00 0.00 C ATOM 1537 CD GLN A 107 -14.529 -11.865 8.650 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -15.291 -12.364 7.845 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -13.947 -12.612 9.547 1.00 0.00 N ATOM 0 H GLN A 107 -12.276 -8.849 12.136 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.906 -10.581 9.724 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -14.313 -10.584 10.773 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.410 -8.922 10.226 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.107 -9.825 8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.407 -10.152 7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.308 -12.193 10.222 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.131 -13.615 9.573 1.00 0.00 H new ATOM 1548 N ILE A 108 -11.066 -8.536 8.583 1.00 0.00 N ATOM 1549 CA ILE A 108 -10.567 -7.318 7.884 1.00 0.00 C ATOM 1550 C ILE A 108 -11.316 -7.172 6.552 1.00 0.00 C ATOM 1551 O ILE A 108 -11.870 -8.122 6.036 1.00 0.00 O ATOM 1552 CB ILE A 108 -9.053 -7.483 7.657 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -8.285 -6.610 8.647 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -8.653 -7.116 6.220 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.817 -6.494 8.221 1.00 0.00 C ATOM 0 H ILE A 108 -10.667 -9.415 8.254 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.741 -6.419 8.476 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.802 -8.532 7.817 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.737 -5.619 8.696 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.348 -7.039 9.647 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.578 -7.245 6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.178 -7.765 5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.919 -6.078 6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.279 -5.869 8.934 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -6.366 -7.486 8.195 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.760 -6.044 7.230 1.00 0.00 H new ATOM 1567 N LYS A 109 -11.338 -5.992 5.994 1.00 0.00 N ATOM 1568 CA LYS A 109 -12.053 -5.806 4.699 1.00 0.00 C ATOM 1569 C LYS A 109 -11.456 -4.625 3.932 1.00 0.00 C ATOM 1570 O LYS A 109 -11.457 -3.502 4.400 1.00 0.00 O ATOM 1571 CB LYS A 109 -13.535 -5.535 4.972 1.00 0.00 C ATOM 1572 CG LYS A 109 -14.228 -5.146 3.664 1.00 0.00 C ATOM 1573 CD LYS A 109 -15.691 -5.590 3.712 1.00 0.00 C ATOM 1574 CE LYS A 109 -16.570 -4.526 3.053 1.00 0.00 C ATOM 1575 NZ LYS A 109 -17.893 -5.117 2.711 1.00 0.00 N ATOM 0 H LYS A 109 -10.896 -5.155 6.375 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.945 -6.711 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.006 -6.421 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.641 -4.735 5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.168 -4.068 3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.722 -5.613 2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.809 -6.544 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.001 -5.744 4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.701 -3.679 3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.086 -4.146 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.491 -4.394 2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.759 -5.911 2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.355 -5.459 3.578 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.960 -4.867 2.747 1.00 0.00 N ATOM 1590 CA LEU A 110 -10.383 -3.756 1.939 1.00 0.00 C ATOM 1591 C LEU A 110 -11.498 -2.790 1.570 1.00 0.00 C ATOM 1592 O LEU A 110 -12.663 -3.135 1.601 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.741 -4.316 0.674 1.00 0.00 C ATOM 1594 CG LEU A 110 -8.437 -3.566 0.395 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.568 -3.550 1.655 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.685 -4.271 -0.724 1.00 0.00 C ATOM 0 H LEU A 110 -10.930 -5.786 2.305 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.620 -3.235 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.543 -5.381 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.422 -4.211 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.665 -2.541 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.641 -3.015 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.105 -3.051 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.338 -4.573 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.755 -3.741 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.461 -5.295 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.300 -4.283 -1.624 1.00 0.00 H new ATOM 1608 N LEU A 111 -11.167 -1.576 1.235 1.00 0.00 N ATOM 1609 CA LEU A 111 -12.241 -0.608 0.887 1.00 0.00 C ATOM 1610 C LEU A 111 -11.710 0.440 -0.078 1.00 0.00 C ATOM 1611 O LEU A 111 -11.855 0.334 -1.280 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.732 0.085 2.162 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.903 -0.701 2.757 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -13.562 -1.118 4.190 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -15.156 0.176 2.769 1.00 0.00 C ATOM 0 H LEU A 111 -10.214 -1.216 1.187 1.00 0.00 H new ATOM 0 HA LEU A 111 -13.063 -1.145 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.921 0.152 2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -13.043 1.105 1.937 1.00 0.00 H new ATOM 0 HG LEU A 111 -14.087 -1.589 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.396 -1.678 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.670 -1.744 4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.377 -0.229 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.989 -0.385 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.972 1.065 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.401 0.474 1.750 1.00 0.00 H new ATOM 1627 N GLU A 112 -11.107 1.458 0.445 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.571 2.536 -0.438 1.00 0.00 C ATOM 1629 C GLU A 112 -9.130 2.223 -0.831 1.00 0.00 C ATOM 1630 O GLU A 112 -8.206 2.933 -0.484 1.00 0.00 O ATOM 1631 CB GLU A 112 -10.628 3.883 0.286 1.00 0.00 C ATOM 1632 CG GLU A 112 -11.175 4.950 -0.664 1.00 0.00 C ATOM 1633 CD GLU A 112 -12.624 4.615 -1.030 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -13.227 3.833 -0.315 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -13.101 5.147 -2.018 1.00 0.00 O ATOM 0 H GLU A 112 -10.958 1.598 1.444 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.183 2.588 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.263 3.807 1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.633 4.164 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.126 5.931 -0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.563 4.998 -1.565 1.00 0.00 H new ATOM 1642 N SER A 113 -8.937 1.172 -1.576 1.00 0.00 N ATOM 1643 CA SER A 113 -7.565 0.807 -2.026 1.00 0.00 C ATOM 1644 C SER A 113 -7.446 1.146 -3.508 1.00 0.00 C ATOM 1645 O SER A 113 -7.640 0.306 -4.365 1.00 0.00 O ATOM 1646 CB SER A 113 -7.336 -0.694 -1.820 1.00 0.00 C ATOM 1647 OG SER A 113 -8.542 -1.396 -2.084 1.00 0.00 O ATOM 0 H SER A 113 -9.676 0.545 -1.895 1.00 0.00 H new ATOM 0 HA SER A 113 -6.820 1.357 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.545 -1.047 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.007 -0.886 -0.799 1.00 0.00 H new ATOM 0 HG SER A 113 -8.864 -1.168 -2.981 1.00 0.00 H new ATOM 1653 N LYS A 114 -7.138 2.374 -3.818 1.00 0.00 N ATOM 1654 CA LYS A 114 -7.023 2.765 -5.252 1.00 0.00 C ATOM 1655 C LYS A 114 -6.183 4.032 -5.366 1.00 0.00 C ATOM 1656 O LYS A 114 -5.947 4.720 -4.399 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.419 3.023 -5.825 1.00 0.00 C ATOM 1658 CG LYS A 114 -9.233 1.730 -5.793 1.00 0.00 C ATOM 1659 CD LYS A 114 -10.531 1.924 -6.579 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.410 1.240 -7.941 1.00 0.00 C ATOM 1661 NZ LYS A 114 -11.768 0.897 -8.450 1.00 0.00 N ATOM 0 H LYS A 114 -6.962 3.121 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.545 1.961 -5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.923 3.797 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.341 3.390 -6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.654 0.913 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.457 1.454 -4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -11.371 1.506 -6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.733 2.987 -6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.902 1.898 -8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.805 0.338 -7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -11.684 0.432 -9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.237 0.254 -7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.331 1.766 -8.548 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.723 4.344 -6.545 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.888 5.564 -6.715 1.00 0.00 C ATOM 1677 C CYS A 115 -5.619 6.556 -7.620 1.00 0.00 C ATOM 1678 O CYS A 115 -6.020 6.230 -8.720 1.00 0.00 O ATOM 1679 CB CYS A 115 -3.544 5.186 -7.348 1.00 0.00 C ATOM 1680 SG CYS A 115 -3.085 3.499 -6.863 1.00 0.00 S ATOM 0 H CYS A 115 -5.889 3.808 -7.397 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.710 6.021 -5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.611 5.256 -8.434 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.773 5.888 -7.030 1.00 0.00 H new ATOM 1685 N GLN A 116 -5.800 7.767 -7.166 1.00 0.00 N ATOM 1686 CA GLN A 116 -6.509 8.776 -8.004 1.00 0.00 C ATOM 1687 C GLN A 116 -5.601 9.218 -9.153 1.00 0.00 C ATOM 1688 CB GLN A 116 -6.869 9.990 -7.145 1.00 0.00 C ATOM 1689 CG GLN A 116 -7.671 10.987 -7.984 1.00 0.00 C ATOM 1690 CD GLN A 116 -8.817 11.558 -7.145 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -9.545 10.821 -6.509 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -9.008 12.848 -7.119 1.00 0.00 N ATOM 0 H GLN A 116 -5.489 8.100 -6.254 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.419 8.334 -8.410 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.451 9.676 -6.278 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -5.963 10.463 -6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.022 11.793 -8.328 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -8.067 10.495 -8.872 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -8.396 13.465 -7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.769 13.240 -6.564 1.00 0.00 H new TER 1701 GLN A 116