USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 832 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 84 ASN : amide:sc= -0.0239 K(o=0.95,f=-2.3!) USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0.979 USER MOD Set 2.1: A 63 HIS :FLIP no HE2:sc= -1.72 F(o=-6.7,f=-4.7) USER MOD Set 2.2: A 79 TYR OH : rot 158:sc= -2.96! USER MOD Set 3.1: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 72 SER OG : rot 89:sc= 0.0254 USER MOD Set 4.1: A 15 ASN : amide:sc= 0.918 K(o=2.2,f=-3.8!) USER MOD Set 4.2: A 28 THR OG1 : rot 131:sc= 1.29 USER MOD Single : A 1 VAL N :NH3+ 150:sc= -0.204 (180deg=-1.87!) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0924) USER MOD Single : A 4 GLN :FLIP amide:sc= 1.1 F(o=-0.013,f=1.1) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.127 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc=-0.00512 X(o=-0.0051,f=-0.0051) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -2.84 F(o=-4.7!,f=-2.8) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.295 USER MOD Single : A 22 THR OG1 : rot 56:sc= -0.841! USER MOD Single : A 25 SER OG : rot 128:sc= -0.235 USER MOD Single : A 29 TYR OH : rot -81:sc= -1.34! USER MOD Single : A 30 SER OG : rot -78:sc= -2.73! USER MOD Single : A 32 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 33 SER OG : rot -66:sc= 0.19 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 43:sc= -2.32 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 68:sc= 1.13 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -177:sc= -6.07! USER MOD Single : A 57 GLN : amide:sc= -0.474 K(o=-0.47,f=-2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.215 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0814 F(o=-1.1,f=-0.081) USER MOD Single : A 73 SER OG : rot 180:sc=-0.00214 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.246 USER MOD Single : A 80 SER OG : rot 180:sc= -0.222 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -2.35! C(o=-2.4!,f=-4.1!) USER MOD Single : A 88 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0372) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.127) USER MOD Single : A 96 SER OG : rot -47:sc= 0.157! USER MOD Single : A 98 SER OG : rot -131:sc= -1.16 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 66:sc= 0.885 USER MOD Single : A 101 SER OG : rot 180:sc= -0.823 USER MOD Single : A 104 SER OG : rot 180:sc= -0.0222 USER MOD Single : A 107 ASN : amide:sc= -4.64! C(o=-4.6!,f=-6.4!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.34! USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -22.003 22.910 -29.035 1.00 0.00 N ATOM 2 CA VAL A 1 -21.473 24.255 -28.670 1.00 0.00 C ATOM 3 C VAL A 1 -20.743 24.186 -27.326 1.00 0.00 C ATOM 4 O VAL A 1 -21.013 23.332 -26.505 1.00 0.00 O ATOM 5 CB VAL A 1 -22.707 25.153 -28.566 1.00 0.00 C ATOM 6 CG1 VAL A 1 -23.730 24.516 -27.624 1.00 0.00 C ATOM 7 CG2 VAL A 1 -22.294 26.521 -28.019 1.00 0.00 C ATOM 0 H1 VAL A 1 -22.866 23.020 -29.605 1.00 0.00 H new ATOM 0 H2 VAL A 1 -21.288 22.393 -29.586 1.00 0.00 H new ATOM 0 H3 VAL A 1 -22.225 22.378 -28.170 1.00 0.00 H new ATOM 0 HA VAL A 1 -20.758 24.631 -29.402 1.00 0.00 H new ATOM 0 HB VAL A 1 -23.152 25.272 -29.554 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -24.608 25.158 -27.552 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -24.025 23.541 -28.012 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -23.288 24.394 -26.635 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -23.172 27.163 -27.944 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -21.848 26.399 -27.032 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -21.567 26.977 -28.691 1.00 0.00 H new ATOM 19 N LYS A 2 -19.822 25.080 -27.093 1.00 0.00 N ATOM 20 CA LYS A 2 -19.078 25.065 -25.801 1.00 0.00 C ATOM 21 C LYS A 2 -18.423 26.425 -25.554 1.00 0.00 C ATOM 22 O LYS A 2 -18.330 27.251 -26.439 1.00 0.00 O ATOM 23 CB LYS A 2 -18.014 23.978 -25.962 1.00 0.00 C ATOM 24 CG LYS A 2 -17.185 24.257 -27.217 1.00 0.00 C ATOM 25 CD LYS A 2 -15.848 23.520 -27.119 1.00 0.00 C ATOM 26 CE LYS A 2 -15.448 23.002 -28.502 1.00 0.00 C ATOM 27 NZ LYS A 2 -15.046 24.217 -29.266 1.00 0.00 N ATOM 0 H LYS A 2 -19.552 25.820 -27.741 1.00 0.00 H new ATOM 0 HA LYS A 2 -19.733 24.867 -24.952 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -17.368 23.954 -25.084 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -18.487 22.999 -26.036 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -17.728 23.931 -28.104 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -17.015 25.328 -27.323 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.079 24.189 -26.733 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.929 22.690 -26.417 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.627 22.288 -28.434 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.278 22.488 -28.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.540 23.933 -30.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.894 24.761 -29.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.423 24.807 -28.678 1.00 0.00 H new ATOM 41 N CYS A 3 -17.970 26.662 -24.355 1.00 0.00 N ATOM 42 CA CYS A 3 -17.323 27.968 -24.047 1.00 0.00 C ATOM 43 C CYS A 3 -15.944 27.739 -23.432 1.00 0.00 C ATOM 44 O CYS A 3 -15.739 27.937 -22.250 1.00 0.00 O ATOM 45 CB CYS A 3 -18.251 28.634 -23.037 1.00 0.00 C ATOM 46 SG CYS A 3 -19.230 29.906 -23.866 1.00 0.00 S ATOM 0 H CYS A 3 -18.020 26.007 -23.574 1.00 0.00 H new ATOM 0 HA CYS A 3 -17.178 28.580 -24.937 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -18.908 27.891 -22.586 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -17.669 29.077 -22.229 1.00 0.00 H new ATOM 51 N GLN A 4 -14.997 27.321 -24.221 1.00 0.00 N ATOM 52 CA GLN A 4 -13.634 27.079 -23.674 1.00 0.00 C ATOM 53 C GLN A 4 -13.073 28.360 -23.065 1.00 0.00 C ATOM 54 O GLN A 4 -13.705 29.398 -23.073 1.00 0.00 O ATOM 55 CB GLN A 4 -12.786 26.645 -24.870 1.00 0.00 C ATOM 56 CG GLN A 4 -13.063 27.568 -26.058 1.00 0.00 C ATOM 57 CD GLN A 4 -11.737 28.019 -26.674 1.00 0.00 C ATOM 58 OE1 GLN A 4 -11.339 27.487 -27.797 1.00 0.00 O flip ATOM 59 NE2 GLN A 4 -11.056 28.863 -26.126 1.00 0.00 N flip ATOM 0 H GLN A 4 -15.106 27.137 -25.218 1.00 0.00 H new ATOM 0 HA GLN A 4 -13.641 26.325 -22.887 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.728 26.678 -24.610 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -13.016 25.613 -25.137 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -13.664 27.048 -26.804 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -13.638 28.435 -25.732 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.368 29.279 -25.248 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.173 29.156 -26.544 1.00 0.00 H new ATOM 68 N SER A 5 -11.886 28.291 -22.540 1.00 0.00 N ATOM 69 CA SER A 5 -11.270 29.501 -21.928 1.00 0.00 C ATOM 70 C SER A 5 -11.511 30.721 -22.821 1.00 0.00 C ATOM 71 O SER A 5 -11.487 30.620 -24.032 1.00 0.00 O ATOM 72 CB SER A 5 -9.777 29.185 -21.839 1.00 0.00 C ATOM 73 OG SER A 5 -9.119 29.694 -22.992 1.00 0.00 O ATOM 0 H SER A 5 -11.312 27.448 -22.507 1.00 0.00 H new ATOM 0 HA SER A 5 -11.693 29.733 -20.951 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.353 29.629 -20.938 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.625 28.108 -21.765 1.00 0.00 H new ATOM 0 HG SER A 5 -8.161 29.494 -22.937 1.00 0.00 H new ATOM 79 N PRO A 6 -11.739 31.836 -22.186 1.00 0.00 N ATOM 80 CA PRO A 6 -11.994 33.099 -22.923 1.00 0.00 C ATOM 81 C PRO A 6 -10.704 33.619 -23.561 1.00 0.00 C ATOM 82 O PRO A 6 -9.623 33.204 -23.204 1.00 0.00 O ATOM 83 CB PRO A 6 -12.471 34.055 -21.834 1.00 0.00 C ATOM 84 CG PRO A 6 -11.886 33.519 -20.568 1.00 0.00 C ATOM 85 CD PRO A 6 -11.782 32.025 -20.732 1.00 0.00 C ATOM 0 HA PRO A 6 -12.712 32.981 -23.734 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.132 35.073 -22.026 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.559 34.086 -21.784 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.905 33.956 -20.380 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.516 33.771 -19.715 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.887 31.631 -20.251 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.635 31.513 -20.287 1.00 0.00 H new ATOM 93 N PRO A 7 -10.868 34.525 -24.483 1.00 0.00 N ATOM 94 CA PRO A 7 -9.702 35.127 -25.174 1.00 0.00 C ATOM 95 C PRO A 7 -8.959 36.079 -24.231 1.00 0.00 C ATOM 96 O PRO A 7 -9.440 36.411 -23.165 1.00 0.00 O ATOM 97 CB PRO A 7 -10.330 35.895 -26.334 1.00 0.00 C ATOM 98 CG PRO A 7 -11.730 36.186 -25.891 1.00 0.00 C ATOM 99 CD PRO A 7 -12.141 35.068 -24.968 1.00 0.00 C ATOM 0 HA PRO A 7 -8.970 34.389 -25.504 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.782 36.814 -26.542 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.320 35.304 -27.250 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.781 37.147 -25.379 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.401 36.245 -26.748 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.758 35.434 -24.147 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.724 34.311 -25.492 1.00 0.00 H new ATOM 107 N SER A 8 -7.796 36.526 -24.617 1.00 0.00 N ATOM 108 CA SER A 8 -7.030 37.463 -23.743 1.00 0.00 C ATOM 109 C SER A 8 -7.624 38.868 -23.844 1.00 0.00 C ATOM 110 O SER A 8 -8.560 39.104 -24.582 1.00 0.00 O ATOM 111 CB SER A 8 -5.599 37.445 -24.285 1.00 0.00 C ATOM 112 OG SER A 8 -5.480 36.436 -25.280 1.00 0.00 O ATOM 0 H SER A 8 -7.342 36.284 -25.498 1.00 0.00 H new ATOM 0 HA SER A 8 -7.065 37.171 -22.693 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.347 38.418 -24.707 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.895 37.256 -23.475 1.00 0.00 H new ATOM 0 HG SER A 8 -4.564 36.426 -25.628 1.00 0.00 H new ATOM 118 N ILE A 9 -7.089 39.803 -23.111 1.00 0.00 N ATOM 119 CA ILE A 9 -7.634 41.193 -23.177 1.00 0.00 C ATOM 120 C ILE A 9 -6.537 42.234 -23.095 1.00 0.00 C ATOM 121 O ILE A 9 -5.360 41.946 -23.184 1.00 0.00 O ATOM 122 CB ILE A 9 -8.578 41.370 -21.989 1.00 0.00 C ATOM 123 CG1 ILE A 9 -8.149 40.504 -20.798 1.00 0.00 C ATOM 124 CG2 ILE A 9 -9.983 41.002 -22.425 1.00 0.00 C ATOM 125 CD1 ILE A 9 -8.091 41.383 -19.548 1.00 0.00 C ATOM 0 H ILE A 9 -6.304 39.670 -22.473 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.146 41.331 -24.129 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.545 42.410 -21.664 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.854 39.686 -20.652 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.175 40.054 -20.989 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.668 41.124 -21.586 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.292 41.652 -23.243 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.000 39.965 -22.760 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.787 40.780 -18.693 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.369 42.186 -19.701 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.075 41.811 -19.358 1.00 0.00 H new ATOM 137 N SER A 10 -6.942 43.457 -22.943 1.00 0.00 N ATOM 138 CA SER A 10 -5.967 44.566 -22.871 1.00 0.00 C ATOM 139 C SER A 10 -5.003 44.383 -21.696 1.00 0.00 C ATOM 140 O SER A 10 -5.189 44.943 -20.634 1.00 0.00 O ATOM 141 CB SER A 10 -6.812 45.825 -22.683 1.00 0.00 C ATOM 142 OG SER A 10 -6.075 46.954 -23.132 1.00 0.00 O ATOM 0 H SER A 10 -7.920 43.737 -22.865 1.00 0.00 H new ATOM 0 HA SER A 10 -5.347 44.615 -23.766 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.744 45.739 -23.242 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.079 45.944 -21.633 1.00 0.00 H new ATOM 0 HG SER A 10 -6.614 47.764 -23.015 1.00 0.00 H new ATOM 148 N ASN A 11 -3.966 43.613 -21.881 1.00 0.00 N ATOM 149 CA ASN A 11 -2.982 43.405 -20.779 1.00 0.00 C ATOM 150 C ASN A 11 -3.687 42.908 -19.513 1.00 0.00 C ATOM 151 O ASN A 11 -3.625 43.530 -18.472 1.00 0.00 O ATOM 152 CB ASN A 11 -2.359 44.781 -20.539 1.00 0.00 C ATOM 153 CG ASN A 11 -1.844 45.347 -21.863 1.00 0.00 C ATOM 154 OD1 ASN A 11 -2.205 46.440 -22.252 1.00 0.00 O ATOM 155 ND2 ASN A 11 -1.009 44.643 -22.578 1.00 0.00 N ATOM 0 H ASN A 11 -3.757 43.118 -22.748 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.234 42.655 -21.036 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.098 45.456 -20.106 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.541 44.702 -19.823 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.660 45.011 -23.463 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.706 43.725 -22.252 1.00 0.00 H new ATOM 162 N GLY A 12 -4.351 41.788 -19.593 1.00 0.00 N ATOM 163 CA GLY A 12 -5.050 41.251 -18.392 1.00 0.00 C ATOM 164 C GLY A 12 -5.296 39.752 -18.573 1.00 0.00 C ATOM 165 O GLY A 12 -5.508 39.277 -19.671 1.00 0.00 O ATOM 0 H GLY A 12 -4.440 41.222 -20.437 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.449 41.427 -17.500 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.997 41.771 -18.246 1.00 0.00 H new ATOM 169 N ARG A 13 -5.269 39.003 -17.505 1.00 0.00 N ATOM 170 CA ARG A 13 -5.498 37.533 -17.615 1.00 0.00 C ATOM 171 C ARG A 13 -6.963 37.192 -17.380 1.00 0.00 C ATOM 172 O ARG A 13 -7.819 38.051 -17.304 1.00 0.00 O ATOM 173 CB ARG A 13 -4.639 36.906 -16.519 1.00 0.00 C ATOM 174 CG ARG A 13 -3.414 36.240 -17.143 1.00 0.00 C ATOM 175 CD ARG A 13 -2.491 35.734 -16.033 1.00 0.00 C ATOM 176 NE ARG A 13 -1.150 35.618 -16.668 1.00 0.00 N ATOM 177 CZ ARG A 13 -0.203 34.950 -16.070 1.00 0.00 C ATOM 178 NH1 ARG A 13 -0.082 33.667 -16.274 1.00 0.00 N ATOM 179 NH2 ARG A 13 0.620 35.565 -15.266 1.00 0.00 N ATOM 0 H ARG A 13 -5.098 39.345 -16.559 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.239 37.165 -18.608 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.327 37.670 -15.807 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.221 36.171 -15.963 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.722 35.412 -17.781 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.883 36.950 -17.777 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.470 36.426 -15.191 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.829 34.772 -15.647 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.972 36.060 -17.570 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.728 33.187 -16.901 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.658 33.144 -15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.522 36.568 -15.106 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.361 35.043 -14.798 1.00 0.00 H new ATOM 193 N HIS A 14 -7.243 35.931 -17.261 1.00 0.00 N ATOM 194 CA HIS A 14 -8.645 35.486 -17.025 1.00 0.00 C ATOM 195 C HIS A 14 -8.964 35.526 -15.527 1.00 0.00 C ATOM 196 O HIS A 14 -8.577 36.438 -14.825 1.00 0.00 O ATOM 197 CB HIS A 14 -8.697 34.047 -17.537 1.00 0.00 C ATOM 198 CG HIS A 14 -8.296 34.000 -18.985 1.00 0.00 C ATOM 199 ND1 HIS A 14 -7.601 34.880 -19.779 1.00 0.00 N flip ATOM 200 CD2 HIS A 14 -8.615 32.926 -19.799 1.00 0.00 C flip ATOM 201 CE1 HIS A 14 -7.489 34.359 -21.065 1.00 0.00 C flip ATOM 202 NE2 HIS A 14 -8.118 33.181 -21.021 1.00 0.00 N flip ATOM 0 H HIS A 14 -6.557 35.179 -17.317 1.00 0.00 H new ATOM 0 HA HIS A 14 -9.370 36.126 -17.528 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.031 33.418 -16.946 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.703 33.646 -17.417 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.164 32.044 -19.505 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.999 34.810 -21.915 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -8.210 32.552 -21.818 1.00 0.00 H new ATOM 210 N ASN A 15 -9.664 34.540 -15.030 1.00 0.00 N ATOM 211 CA ASN A 15 -10.004 34.521 -13.580 1.00 0.00 C ATOM 212 C ASN A 15 -8.882 33.850 -12.782 1.00 0.00 C ATOM 213 O ASN A 15 -8.346 34.416 -11.850 1.00 0.00 O ATOM 214 CB ASN A 15 -11.289 33.699 -13.488 1.00 0.00 C ATOM 215 CG ASN A 15 -11.819 33.741 -12.055 1.00 0.00 C ATOM 216 OD1 ASN A 15 -11.473 34.622 -11.293 1.00 0.00 O ATOM 217 ND2 ASN A 15 -12.649 32.819 -11.652 1.00 0.00 N ATOM 0 H ASN A 15 -10.014 33.747 -15.568 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.129 35.524 -13.172 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.037 34.095 -14.175 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.096 32.668 -13.786 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.008 32.838 -10.697 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.939 32.079 -12.292 1.00 0.00 H new ATOM 224 N GLY A 16 -8.524 32.647 -13.140 1.00 0.00 N ATOM 225 CA GLY A 16 -7.440 31.940 -12.402 1.00 0.00 C ATOM 226 C GLY A 16 -7.134 30.610 -13.093 1.00 0.00 C ATOM 227 O GLY A 16 -5.998 30.187 -13.169 1.00 0.00 O ATOM 0 H GLY A 16 -8.936 32.123 -13.912 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.544 32.560 -12.370 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.743 31.764 -11.370 1.00 0.00 H new ATOM 231 N TYR A 17 -8.139 29.946 -13.598 1.00 0.00 N ATOM 232 CA TYR A 17 -7.898 28.642 -14.282 1.00 0.00 C ATOM 233 C TYR A 17 -9.193 28.119 -14.910 1.00 0.00 C ATOM 234 O TYR A 17 -9.850 27.251 -14.370 1.00 0.00 O ATOM 235 CB TYR A 17 -7.424 27.699 -13.178 1.00 0.00 C ATOM 236 CG TYR A 17 -6.860 26.444 -13.797 1.00 0.00 C ATOM 237 CD1 TYR A 17 -5.934 26.534 -14.843 1.00 0.00 C ATOM 238 CD2 TYR A 17 -7.262 25.189 -13.324 1.00 0.00 C ATOM 239 CE1 TYR A 17 -5.410 25.369 -15.417 1.00 0.00 C ATOM 240 CE2 TYR A 17 -6.738 24.024 -13.897 1.00 0.00 C ATOM 241 CZ TYR A 17 -5.812 24.114 -14.943 1.00 0.00 C ATOM 242 OH TYR A 17 -5.296 22.965 -15.507 1.00 0.00 O ATOM 0 H TYR A 17 -9.113 30.248 -13.567 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.170 28.731 -15.088 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.665 28.189 -12.567 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.254 27.450 -12.517 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.624 27.502 -15.207 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.976 25.120 -12.517 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.696 25.438 -16.225 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.048 23.056 -13.532 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.679 22.181 -15.061 1.00 0.00 H new ATOM 252 N GLU A 18 -9.564 28.636 -16.049 1.00 0.00 N ATOM 253 CA GLU A 18 -10.813 28.164 -16.710 1.00 0.00 C ATOM 254 C GLU A 18 -10.472 27.336 -17.947 1.00 0.00 C ATOM 255 O GLU A 18 -9.322 27.192 -18.312 1.00 0.00 O ATOM 256 CB GLU A 18 -11.548 29.437 -17.119 1.00 0.00 C ATOM 257 CG GLU A 18 -11.579 30.410 -15.941 1.00 0.00 C ATOM 258 CD GLU A 18 -10.287 31.227 -15.923 1.00 0.00 C ATOM 259 OE1 GLU A 18 -9.843 31.619 -16.990 1.00 0.00 O ATOM 260 OE2 GLU A 18 -9.764 31.446 -14.845 1.00 0.00 O ATOM 0 H GLU A 18 -9.056 29.365 -16.550 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.413 27.534 -16.054 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.051 29.898 -17.972 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.564 29.198 -17.433 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.440 31.073 -16.025 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.689 29.862 -15.005 1.00 0.00 H new ATOM 267 N ASP A 19 -11.466 26.808 -18.605 1.00 0.00 N ATOM 268 CA ASP A 19 -11.200 26.003 -19.830 1.00 0.00 C ATOM 269 C ASP A 19 -12.502 25.442 -20.411 1.00 0.00 C ATOM 270 O ASP A 19 -12.587 25.149 -21.585 1.00 0.00 O ATOM 271 CB ASP A 19 -10.281 24.865 -19.382 1.00 0.00 C ATOM 272 CG ASP A 19 -9.287 24.543 -20.501 1.00 0.00 C ATOM 273 OD1 ASP A 19 -9.639 24.737 -21.653 1.00 0.00 O ATOM 274 OD2 ASP A 19 -8.191 24.109 -20.187 1.00 0.00 O ATOM 0 H ASP A 19 -12.449 26.899 -18.348 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.745 26.609 -20.613 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.746 25.150 -18.476 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.871 23.981 -19.139 1.00 0.00 H new ATOM 279 N PHE A 20 -13.515 25.290 -19.605 1.00 0.00 N ATOM 280 CA PHE A 20 -14.804 24.752 -20.126 1.00 0.00 C ATOM 281 C PHE A 20 -15.969 25.477 -19.452 1.00 0.00 C ATOM 282 O PHE A 20 -16.461 25.061 -18.421 1.00 0.00 O ATOM 283 CB PHE A 20 -14.801 23.270 -19.756 1.00 0.00 C ATOM 284 CG PHE A 20 -14.009 22.496 -20.783 1.00 0.00 C ATOM 285 CD1 PHE A 20 -14.485 22.381 -22.094 1.00 0.00 C ATOM 286 CD2 PHE A 20 -12.799 21.892 -20.422 1.00 0.00 C ATOM 287 CE1 PHE A 20 -13.751 21.662 -23.045 1.00 0.00 C ATOM 288 CE2 PHE A 20 -12.065 21.174 -21.373 1.00 0.00 C ATOM 289 CZ PHE A 20 -12.541 21.058 -22.684 1.00 0.00 C ATOM 0 H PHE A 20 -13.507 25.514 -18.610 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.913 24.893 -21.201 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -14.366 23.132 -18.766 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -15.823 22.894 -19.710 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -15.419 22.847 -22.372 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -12.432 21.980 -19.410 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -14.118 21.573 -24.057 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -11.131 20.709 -21.095 1.00 0.00 H new ATOM 0 HZ PHE A 20 -11.975 20.503 -23.417 1.00 0.00 H new ATOM 299 N TYR A 21 -16.400 26.567 -20.019 1.00 0.00 N ATOM 300 CA TYR A 21 -17.518 27.335 -19.407 1.00 0.00 C ATOM 301 C TYR A 21 -18.847 27.005 -20.083 1.00 0.00 C ATOM 302 O TYR A 21 -19.904 27.387 -19.623 1.00 0.00 O ATOM 303 CB TYR A 21 -17.139 28.785 -19.627 1.00 0.00 C ATOM 304 CG TYR A 21 -16.429 29.257 -18.387 1.00 0.00 C ATOM 305 CD1 TYR A 21 -15.382 28.491 -17.860 1.00 0.00 C ATOM 306 CD2 TYR A 21 -16.822 30.432 -17.749 1.00 0.00 C ATOM 307 CE1 TYR A 21 -14.727 28.907 -16.699 1.00 0.00 C ATOM 308 CE2 TYR A 21 -16.170 30.848 -16.586 1.00 0.00 C ATOM 309 CZ TYR A 21 -15.120 30.087 -16.060 1.00 0.00 C ATOM 310 OH TYR A 21 -14.476 30.498 -14.911 1.00 0.00 O ATOM 0 H TYR A 21 -16.025 26.960 -20.882 1.00 0.00 H new ATOM 0 HA TYR A 21 -17.657 27.097 -18.352 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -16.494 28.885 -20.500 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -18.026 29.390 -19.815 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -15.081 27.578 -18.352 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -17.631 31.021 -18.154 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.917 28.318 -16.295 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.477 31.758 -16.092 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.872 31.337 -14.596 1.00 0.00 H new ATOM 320 N THR A 22 -18.796 26.294 -21.166 1.00 0.00 N ATOM 321 CA THR A 22 -20.045 25.923 -21.885 1.00 0.00 C ATOM 322 C THR A 22 -21.013 27.106 -21.978 1.00 0.00 C ATOM 323 O THR A 22 -20.968 27.885 -22.909 1.00 0.00 O ATOM 324 CB THR A 22 -20.659 24.786 -21.065 1.00 0.00 C ATOM 325 OG1 THR A 22 -20.411 25.011 -19.684 1.00 0.00 O ATOM 326 CG2 THR A 22 -20.038 23.454 -21.486 1.00 0.00 C ATOM 0 H THR A 22 -17.936 25.949 -21.591 1.00 0.00 H new ATOM 0 HA THR A 22 -19.837 25.624 -22.912 1.00 0.00 H new ATOM 0 HB THR A 22 -21.734 24.753 -21.241 1.00 0.00 H new ATOM 0 HG1 THR A 22 -20.762 25.889 -19.427 1.00 0.00 H new ATOM 0 HG21 THR A 22 -20.477 22.646 -20.900 1.00 0.00 H new ATOM 0 HG22 THR A 22 -20.231 23.281 -22.545 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.962 23.484 -21.314 1.00 0.00 H new ATOM 334 N ASP A 23 -21.906 27.235 -21.038 1.00 0.00 N ATOM 335 CA ASP A 23 -22.886 28.356 -21.102 1.00 0.00 C ATOM 336 C ASP A 23 -23.369 28.726 -19.697 1.00 0.00 C ATOM 337 O ASP A 23 -23.741 27.877 -18.911 1.00 0.00 O ATOM 338 CB ASP A 23 -24.033 27.801 -21.952 1.00 0.00 C ATOM 339 CG ASP A 23 -25.318 28.591 -21.683 1.00 0.00 C ATOM 340 OD1 ASP A 23 -25.213 29.759 -21.350 1.00 0.00 O ATOM 341 OD2 ASP A 23 -26.384 28.011 -21.816 1.00 0.00 O ATOM 0 H ASP A 23 -22.001 26.617 -20.232 1.00 0.00 H new ATOM 0 HA ASP A 23 -22.462 29.267 -21.525 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -23.775 27.861 -23.009 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -24.190 26.747 -21.722 1.00 0.00 H new ATOM 346 N GLY A 24 -23.364 29.991 -19.379 1.00 0.00 N ATOM 347 CA GLY A 24 -23.821 30.423 -18.029 1.00 0.00 C ATOM 348 C GLY A 24 -22.615 30.522 -17.096 1.00 0.00 C ATOM 349 O GLY A 24 -22.633 30.023 -15.988 1.00 0.00 O ATOM 0 H GLY A 24 -23.063 30.745 -19.997 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -24.325 31.387 -18.094 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -24.545 29.711 -17.632 1.00 0.00 H new ATOM 353 N SER A 25 -21.563 31.159 -17.534 1.00 0.00 N ATOM 354 CA SER A 25 -20.358 31.280 -16.662 1.00 0.00 C ATOM 355 C SER A 25 -19.626 32.594 -16.944 1.00 0.00 C ATOM 356 O SER A 25 -19.738 33.162 -18.012 1.00 0.00 O ATOM 357 CB SER A 25 -19.500 30.071 -17.019 1.00 0.00 C ATOM 358 OG SER A 25 -20.256 28.885 -16.812 1.00 0.00 O ATOM 0 H SER A 25 -21.485 31.598 -18.451 1.00 0.00 H new ATOM 0 HA SER A 25 -20.605 31.296 -15.601 1.00 0.00 H new ATOM 0 HB2 SER A 25 -19.176 30.134 -18.058 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.600 30.055 -16.405 1.00 0.00 H new ATOM 0 HG SER A 25 -20.225 28.332 -17.621 1.00 0.00 H new ATOM 364 N VAL A 26 -18.900 33.097 -15.980 1.00 0.00 N ATOM 365 CA VAL A 26 -18.192 34.392 -16.185 1.00 0.00 C ATOM 366 C VAL A 26 -16.718 34.291 -15.807 1.00 0.00 C ATOM 367 O VAL A 26 -16.324 33.493 -14.980 1.00 0.00 O ATOM 368 CB VAL A 26 -18.922 35.368 -15.263 1.00 0.00 C ATOM 369 CG1 VAL A 26 -18.088 36.636 -15.069 1.00 0.00 C ATOM 370 CG2 VAL A 26 -20.267 35.732 -15.886 1.00 0.00 C ATOM 0 H VAL A 26 -18.768 32.668 -15.064 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.206 34.705 -17.229 1.00 0.00 H new ATOM 0 HB VAL A 26 -19.077 34.898 -14.292 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -18.619 37.323 -14.410 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.128 36.375 -14.624 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -17.922 37.114 -16.035 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -20.794 36.428 -15.233 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -20.104 36.198 -16.858 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -20.866 34.830 -16.012 1.00 0.00 H new ATOM 380 N VAL A 27 -15.900 35.102 -16.419 1.00 0.00 N ATOM 381 CA VAL A 27 -14.445 35.061 -16.115 1.00 0.00 C ATOM 382 C VAL A 27 -13.941 36.404 -15.638 1.00 0.00 C ATOM 383 O VAL A 27 -13.892 37.362 -16.384 1.00 0.00 O ATOM 384 CB VAL A 27 -13.778 34.709 -17.435 1.00 0.00 C ATOM 385 CG1 VAL A 27 -12.275 34.991 -17.357 1.00 0.00 C ATOM 386 CG2 VAL A 27 -13.998 33.239 -17.697 1.00 0.00 C ATOM 0 H VAL A 27 -16.178 35.792 -17.117 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.229 34.345 -15.322 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.205 35.310 -18.238 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.807 34.735 -18.308 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.114 36.048 -17.146 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.833 34.391 -16.562 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.527 32.963 -18.641 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -13.558 32.655 -16.888 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.067 33.035 -17.752 1.00 0.00 H new ATOM 396 N THR A 28 -13.520 36.482 -14.417 1.00 0.00 N ATOM 397 CA THR A 28 -12.978 37.766 -13.944 1.00 0.00 C ATOM 398 C THR A 28 -11.623 37.968 -14.610 1.00 0.00 C ATOM 399 O THR A 28 -10.644 37.342 -14.256 1.00 0.00 O ATOM 400 CB THR A 28 -12.847 37.638 -12.426 1.00 0.00 C ATOM 401 OG1 THR A 28 -13.312 36.360 -12.012 1.00 0.00 O ATOM 402 CG2 THR A 28 -13.683 38.728 -11.759 1.00 0.00 C ATOM 0 H THR A 28 -13.528 35.723 -13.736 1.00 0.00 H new ATOM 0 HA THR A 28 -13.608 38.621 -14.187 1.00 0.00 H new ATOM 0 HB THR A 28 -11.802 37.748 -12.138 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.652 35.949 -11.416 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.594 38.643 -10.676 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.324 39.707 -12.077 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.728 38.613 -12.048 1.00 0.00 H new ATOM 410 N TYR A 29 -11.569 38.812 -15.597 1.00 0.00 N ATOM 411 CA TYR A 29 -10.286 39.027 -16.318 1.00 0.00 C ATOM 412 C TYR A 29 -9.273 39.715 -15.398 1.00 0.00 C ATOM 413 O TYR A 29 -9.486 40.822 -14.945 1.00 0.00 O ATOM 414 CB TYR A 29 -10.639 39.962 -17.480 1.00 0.00 C ATOM 415 CG TYR A 29 -11.015 39.187 -18.724 1.00 0.00 C ATOM 416 CD1 TYR A 29 -11.073 37.785 -18.719 1.00 0.00 C ATOM 417 CD2 TYR A 29 -11.309 39.891 -19.897 1.00 0.00 C ATOM 418 CE1 TYR A 29 -11.420 37.098 -19.887 1.00 0.00 C ATOM 419 CE2 TYR A 29 -11.659 39.204 -21.061 1.00 0.00 C ATOM 420 CZ TYR A 29 -11.713 37.809 -21.059 1.00 0.00 C ATOM 421 OH TYR A 29 -12.056 37.132 -22.212 1.00 0.00 O ATOM 0 H TYR A 29 -12.357 39.363 -15.937 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.843 38.089 -16.654 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.467 40.608 -17.189 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.790 40.610 -17.697 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.850 37.237 -17.815 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.265 40.970 -19.902 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -11.462 36.019 -19.886 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.888 39.752 -21.963 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.244 36.817 -22.660 1.00 0.00 H new ATOM 431 N SER A 30 -8.170 39.074 -15.126 1.00 0.00 N ATOM 432 CA SER A 30 -7.146 39.703 -14.244 1.00 0.00 C ATOM 433 C SER A 30 -6.410 40.802 -15.013 1.00 0.00 C ATOM 434 O SER A 30 -6.337 40.778 -16.224 1.00 0.00 O ATOM 435 CB SER A 30 -6.183 38.575 -13.868 1.00 0.00 C ATOM 436 OG SER A 30 -6.476 37.420 -14.643 1.00 0.00 O ATOM 0 H SER A 30 -7.934 38.145 -15.475 1.00 0.00 H new ATOM 0 HA SER A 30 -7.587 40.162 -13.360 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.154 38.889 -14.040 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.273 38.345 -12.806 1.00 0.00 H new ATOM 0 HG SER A 30 -7.265 36.970 -14.275 1.00 0.00 H new ATOM 442 N CYS A 31 -5.870 41.769 -14.324 1.00 0.00 N ATOM 443 CA CYS A 31 -5.146 42.866 -15.029 1.00 0.00 C ATOM 444 C CYS A 31 -3.754 43.061 -14.424 1.00 0.00 C ATOM 445 O CYS A 31 -3.522 42.767 -13.268 1.00 0.00 O ATOM 446 CB CYS A 31 -6.006 44.111 -14.807 1.00 0.00 C ATOM 447 SG CYS A 31 -7.716 43.755 -15.280 1.00 0.00 S ATOM 0 H CYS A 31 -5.898 41.848 -13.307 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.002 42.651 -16.088 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.962 44.414 -13.761 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.620 44.943 -15.396 1.00 0.00 H new ATOM 452 N ASN A 32 -2.826 43.558 -15.195 1.00 0.00 N ATOM 453 CA ASN A 32 -1.452 43.774 -14.659 1.00 0.00 C ATOM 454 C ASN A 32 -1.528 44.486 -13.306 1.00 0.00 C ATOM 455 O ASN A 32 -2.560 45.000 -12.923 1.00 0.00 O ATOM 456 CB ASN A 32 -0.755 44.658 -15.695 1.00 0.00 C ATOM 457 CG ASN A 32 0.577 44.021 -16.096 1.00 0.00 C ATOM 458 OD1 ASN A 32 1.615 44.645 -16.001 1.00 0.00 O ATOM 459 ND2 ASN A 32 0.592 42.795 -16.545 1.00 0.00 N ATOM 0 H ASN A 32 -2.959 43.823 -16.171 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.915 42.839 -14.500 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.391 44.779 -16.572 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.585 45.653 -15.284 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.475 42.362 -16.816 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.279 42.270 -16.625 1.00 0.00 H new ATOM 466 N SER A 33 -0.447 44.519 -12.579 1.00 0.00 N ATOM 467 CA SER A 33 -0.465 45.197 -11.250 1.00 0.00 C ATOM 468 C SER A 33 -0.620 46.711 -11.425 1.00 0.00 C ATOM 469 O SER A 33 0.334 47.415 -11.690 1.00 0.00 O ATOM 470 CB SER A 33 0.887 44.867 -10.620 1.00 0.00 C ATOM 471 OG SER A 33 1.241 45.895 -9.703 1.00 0.00 O ATOM 0 H SER A 33 0.447 44.107 -12.845 1.00 0.00 H new ATOM 0 HA SER A 33 -1.298 44.864 -10.630 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.837 43.907 -10.106 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.649 44.776 -11.394 1.00 0.00 H new ATOM 0 HG SER A 33 1.395 46.730 -10.192 1.00 0.00 H new ATOM 477 N GLY A 34 -1.814 47.217 -11.274 1.00 0.00 N ATOM 478 CA GLY A 34 -2.027 48.685 -11.428 1.00 0.00 C ATOM 479 C GLY A 34 -2.988 48.946 -12.590 1.00 0.00 C ATOM 480 O GLY A 34 -3.156 50.067 -13.028 1.00 0.00 O ATOM 0 H GLY A 34 -2.651 46.678 -11.051 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.433 49.102 -10.507 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.075 49.183 -11.611 1.00 0.00 H new ATOM 484 N TYR A 35 -3.622 47.922 -13.092 1.00 0.00 N ATOM 485 CA TYR A 35 -4.572 48.118 -14.224 1.00 0.00 C ATOM 486 C TYR A 35 -6.016 48.002 -13.728 1.00 0.00 C ATOM 487 O TYR A 35 -6.430 46.979 -13.219 1.00 0.00 O ATOM 488 CB TYR A 35 -4.247 46.999 -15.216 1.00 0.00 C ATOM 489 CG TYR A 35 -3.212 47.483 -16.209 1.00 0.00 C ATOM 490 CD1 TYR A 35 -2.368 48.554 -15.885 1.00 0.00 C ATOM 491 CD2 TYR A 35 -3.097 46.857 -17.457 1.00 0.00 C ATOM 492 CE1 TYR A 35 -1.411 48.997 -16.807 1.00 0.00 C ATOM 493 CE2 TYR A 35 -2.140 47.300 -18.378 1.00 0.00 C ATOM 494 CZ TYR A 35 -1.297 48.370 -18.053 1.00 0.00 C ATOM 495 OH TYR A 35 -0.354 48.807 -18.961 1.00 0.00 O ATOM 0 H TYR A 35 -3.524 46.960 -12.768 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.474 49.103 -14.681 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.873 46.125 -14.683 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.152 46.690 -15.740 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.456 49.038 -14.924 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.747 46.032 -17.709 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.761 49.822 -16.556 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.052 46.816 -19.340 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.407 48.263 -19.775 1.00 0.00 H new ATOM 505 N SER A 36 -6.785 49.046 -13.873 1.00 0.00 N ATOM 506 CA SER A 36 -8.202 49.006 -13.412 1.00 0.00 C ATOM 507 C SER A 36 -9.022 48.050 -14.278 1.00 0.00 C ATOM 508 O SER A 36 -8.850 47.984 -15.479 1.00 0.00 O ATOM 509 CB SER A 36 -8.713 50.436 -13.580 1.00 0.00 C ATOM 510 OG SER A 36 -9.996 50.543 -12.977 1.00 0.00 O ATOM 0 H SER A 36 -6.492 49.928 -14.292 1.00 0.00 H new ATOM 0 HA SER A 36 -8.285 48.654 -12.384 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.020 51.140 -13.119 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.771 50.693 -14.638 1.00 0.00 H new ATOM 0 HG SER A 36 -9.993 50.076 -12.116 1.00 0.00 H new ATOM 516 N LEU A 37 -9.927 47.323 -13.683 1.00 0.00 N ATOM 517 CA LEU A 37 -10.771 46.393 -14.482 1.00 0.00 C ATOM 518 C LEU A 37 -12.094 47.079 -14.824 1.00 0.00 C ATOM 519 O LEU A 37 -12.936 47.285 -13.973 1.00 0.00 O ATOM 520 CB LEU A 37 -11.009 45.177 -13.584 1.00 0.00 C ATOM 521 CG LEU A 37 -11.843 44.142 -14.345 1.00 0.00 C ATOM 522 CD1 LEU A 37 -10.938 43.010 -14.833 1.00 0.00 C ATOM 523 CD2 LEU A 37 -12.917 43.568 -13.419 1.00 0.00 C ATOM 0 H LEU A 37 -10.118 47.333 -12.681 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.298 46.102 -15.420 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.057 44.742 -13.281 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.526 45.479 -12.673 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.318 44.622 -15.201 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.534 42.275 -15.374 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.173 43.415 -15.495 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.461 42.531 -13.978 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.510 42.832 -13.962 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.441 43.091 -12.562 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.566 44.372 -13.072 1.00 0.00 H new ATOM 535 N ILE A 38 -12.280 47.438 -16.062 1.00 0.00 N ATOM 536 CA ILE A 38 -13.551 48.116 -16.458 1.00 0.00 C ATOM 537 C ILE A 38 -14.454 47.116 -17.178 1.00 0.00 C ATOM 538 O ILE A 38 -13.998 46.311 -17.956 1.00 0.00 O ATOM 539 CB ILE A 38 -13.172 49.272 -17.409 1.00 0.00 C ATOM 540 CG1 ILE A 38 -11.667 49.556 -17.384 1.00 0.00 C ATOM 541 CG2 ILE A 38 -13.897 50.542 -16.971 1.00 0.00 C ATOM 542 CD1 ILE A 38 -11.247 49.931 -15.964 1.00 0.00 C ATOM 0 H ILE A 38 -11.610 47.293 -16.818 1.00 0.00 H new ATOM 0 HA ILE A 38 -14.086 48.497 -15.588 1.00 0.00 H new ATOM 0 HB ILE A 38 -13.460 48.977 -18.418 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.114 48.678 -17.719 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -11.427 50.366 -18.072 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.632 51.361 -17.640 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -14.974 50.377 -17.008 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.603 50.796 -15.953 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.176 50.134 -15.943 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.791 50.821 -15.647 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.474 49.107 -15.288 1.00 0.00 H new ATOM 554 N GLY A 39 -15.728 47.155 -16.924 1.00 0.00 N ATOM 555 CA GLY A 39 -16.645 46.194 -17.602 1.00 0.00 C ATOM 556 C GLY A 39 -17.620 45.604 -16.581 1.00 0.00 C ATOM 557 O GLY A 39 -18.082 46.285 -15.687 1.00 0.00 O ATOM 0 H GLY A 39 -16.176 47.806 -16.280 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.196 46.700 -18.395 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.069 45.397 -18.072 1.00 0.00 H new ATOM 561 N ASN A 40 -17.937 44.342 -16.703 1.00 0.00 N ATOM 562 CA ASN A 40 -18.883 43.718 -15.733 1.00 0.00 C ATOM 563 C ASN A 40 -18.147 42.722 -14.840 1.00 0.00 C ATOM 564 O ASN A 40 -18.549 41.585 -14.696 1.00 0.00 O ATOM 565 CB ASN A 40 -19.934 43.012 -16.588 1.00 0.00 C ATOM 566 CG ASN A 40 -21.317 43.586 -16.276 1.00 0.00 C ATOM 567 OD1 ASN A 40 -21.953 43.185 -15.321 1.00 0.00 O ATOM 568 ND2 ASN A 40 -21.813 44.516 -17.046 1.00 0.00 N ATOM 0 H ASN A 40 -17.583 43.719 -17.429 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.337 44.455 -15.071 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.705 43.142 -17.646 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -19.920 41.940 -16.389 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -22.734 44.906 -16.846 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -21.279 44.853 -17.847 1.00 0.00 H new ATOM 575 N SER A 41 -17.085 43.171 -14.234 1.00 0.00 N ATOM 576 CA SER A 41 -16.277 42.305 -13.315 1.00 0.00 C ATOM 577 C SER A 41 -16.411 40.818 -13.666 1.00 0.00 C ATOM 578 O SER A 41 -16.834 40.021 -12.851 1.00 0.00 O ATOM 579 CB SER A 41 -16.854 42.574 -11.927 1.00 0.00 C ATOM 580 OG SER A 41 -18.043 41.813 -11.758 1.00 0.00 O ATOM 0 H SER A 41 -16.731 44.122 -14.336 1.00 0.00 H new ATOM 0 HA SER A 41 -15.214 42.533 -13.386 1.00 0.00 H new ATOM 0 HB2 SER A 41 -16.126 42.309 -11.160 1.00 0.00 H new ATOM 0 HB3 SER A 41 -17.068 43.636 -11.809 1.00 0.00 H new ATOM 0 HG SER A 41 -17.820 40.859 -11.729 1.00 0.00 H new ATOM 586 N GLY A 42 -16.055 40.431 -14.862 1.00 0.00 N ATOM 587 CA GLY A 42 -16.168 38.990 -15.231 1.00 0.00 C ATOM 588 C GLY A 42 -16.824 38.841 -16.604 1.00 0.00 C ATOM 589 O GLY A 42 -17.939 39.272 -16.818 1.00 0.00 O ATOM 0 H GLY A 42 -15.694 41.044 -15.593 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.179 38.532 -15.242 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.756 38.461 -14.481 1.00 0.00 H new ATOM 593 N VAL A 43 -16.154 38.207 -17.532 1.00 0.00 N ATOM 594 CA VAL A 43 -16.776 38.013 -18.878 1.00 0.00 C ATOM 595 C VAL A 43 -18.038 37.183 -18.694 1.00 0.00 C ATOM 596 O VAL A 43 -18.329 36.739 -17.606 1.00 0.00 O ATOM 597 CB VAL A 43 -15.785 37.226 -19.741 1.00 0.00 C ATOM 598 CG1 VAL A 43 -16.034 37.559 -21.212 1.00 0.00 C ATOM 599 CG2 VAL A 43 -14.347 37.591 -19.394 1.00 0.00 C ATOM 0 H VAL A 43 -15.217 37.820 -17.420 1.00 0.00 H new ATOM 0 HA VAL A 43 -17.016 38.967 -19.348 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.932 36.162 -19.554 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.333 37.003 -21.835 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.054 37.284 -21.480 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.893 38.628 -21.372 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -13.665 37.018 -20.021 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.190 38.656 -19.566 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.156 37.361 -18.346 1.00 0.00 H new ATOM 609 N LEU A 44 -18.780 36.940 -19.731 1.00 0.00 N ATOM 610 CA LEU A 44 -19.997 36.107 -19.556 1.00 0.00 C ATOM 611 C LEU A 44 -20.202 35.195 -20.758 1.00 0.00 C ATOM 612 O LEU A 44 -20.823 35.570 -21.733 1.00 0.00 O ATOM 613 CB LEU A 44 -21.162 37.089 -19.427 1.00 0.00 C ATOM 614 CG LEU A 44 -22.488 36.319 -19.475 1.00 0.00 C ATOM 615 CD1 LEU A 44 -22.965 36.021 -18.053 1.00 0.00 C ATOM 616 CD2 LEU A 44 -23.541 37.158 -20.200 1.00 0.00 C ATOM 0 H LEU A 44 -18.603 37.275 -20.678 1.00 0.00 H new ATOM 0 HA LEU A 44 -19.915 35.464 -18.680 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -21.084 37.642 -18.491 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.125 37.821 -20.233 1.00 0.00 H new ATOM 0 HG LEU A 44 -22.339 35.381 -20.009 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -23.907 35.474 -18.092 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -22.217 35.419 -17.537 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -23.111 36.957 -17.515 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -24.483 36.610 -20.234 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -23.687 38.098 -19.668 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -23.205 37.365 -21.216 1.00 0.00 H new ATOM 628 N CYS A 45 -19.718 33.990 -20.689 1.00 0.00 N ATOM 629 CA CYS A 45 -19.935 33.065 -21.825 1.00 0.00 C ATOM 630 C CYS A 45 -21.315 32.437 -21.676 1.00 0.00 C ATOM 631 O CYS A 45 -21.560 31.646 -20.780 1.00 0.00 O ATOM 632 CB CYS A 45 -18.841 32.007 -21.731 1.00 0.00 C ATOM 633 SG CYS A 45 -18.272 31.617 -23.404 1.00 0.00 S ATOM 0 H CYS A 45 -19.188 33.611 -19.904 1.00 0.00 H new ATOM 0 HA CYS A 45 -19.891 33.567 -22.791 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -18.012 32.372 -21.125 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -19.222 31.110 -21.242 1.00 0.00 H new ATOM 638 N SER A 46 -22.225 32.805 -22.530 1.00 0.00 N ATOM 639 CA SER A 46 -23.604 32.249 -22.431 1.00 0.00 C ATOM 640 C SER A 46 -24.078 31.742 -23.795 1.00 0.00 C ATOM 641 O SER A 46 -24.537 32.503 -24.624 1.00 0.00 O ATOM 642 CB SER A 46 -24.470 33.418 -21.963 1.00 0.00 C ATOM 643 OG SER A 46 -25.842 33.064 -22.081 1.00 0.00 O ATOM 0 H SER A 46 -22.076 33.466 -23.292 1.00 0.00 H new ATOM 0 HA SER A 46 -23.655 31.402 -21.747 1.00 0.00 H new ATOM 0 HB2 SER A 46 -24.235 33.668 -20.928 1.00 0.00 H new ATOM 0 HB3 SER A 46 -24.259 34.304 -22.561 1.00 0.00 H new ATOM 0 HG SER A 46 -26.400 33.811 -21.780 1.00 0.00 H new ATOM 649 N GLY A 47 -23.977 30.464 -24.033 1.00 0.00 N ATOM 650 CA GLY A 47 -24.430 29.913 -25.342 1.00 0.00 C ATOM 651 C GLY A 47 -23.217 29.581 -26.213 1.00 0.00 C ATOM 652 O GLY A 47 -23.320 29.472 -27.419 1.00 0.00 O ATOM 0 H GLY A 47 -23.601 29.777 -23.379 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.030 29.017 -25.182 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -25.067 30.637 -25.851 1.00 0.00 H new ATOM 656 N GLY A 48 -22.068 29.417 -25.616 1.00 0.00 N ATOM 657 CA GLY A 48 -20.854 29.089 -26.416 1.00 0.00 C ATOM 658 C GLY A 48 -20.235 30.376 -26.965 1.00 0.00 C ATOM 659 O GLY A 48 -19.349 30.343 -27.797 1.00 0.00 O ATOM 0 H GLY A 48 -21.918 29.496 -24.610 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -20.129 28.561 -25.796 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -21.117 28.422 -27.237 1.00 0.00 H new ATOM 663 N GLU A 49 -20.692 31.512 -26.512 1.00 0.00 N ATOM 664 CA GLU A 49 -20.124 32.795 -27.021 1.00 0.00 C ATOM 665 C GLU A 49 -19.828 33.754 -25.865 1.00 0.00 C ATOM 666 O GLU A 49 -20.719 34.191 -25.164 1.00 0.00 O ATOM 667 CB GLU A 49 -21.206 33.377 -27.927 1.00 0.00 C ATOM 668 CG GLU A 49 -21.110 32.734 -29.311 1.00 0.00 C ATOM 669 CD GLU A 49 -22.511 32.367 -29.804 1.00 0.00 C ATOM 670 OE1 GLU A 49 -23.287 31.868 -29.006 1.00 0.00 O ATOM 671 OE2 GLU A 49 -22.783 32.590 -30.972 1.00 0.00 O ATOM 0 H GLU A 49 -21.430 31.608 -25.815 1.00 0.00 H new ATOM 0 HA GLU A 49 -19.183 32.639 -27.549 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -22.191 33.196 -27.498 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -21.086 34.457 -28.007 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -20.636 33.422 -30.011 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -20.484 31.843 -29.267 1.00 0.00 H new ATOM 678 N TRP A 50 -18.584 34.091 -25.671 1.00 0.00 N ATOM 679 CA TRP A 50 -18.226 35.031 -24.571 1.00 0.00 C ATOM 680 C TRP A 50 -18.760 36.428 -24.888 1.00 0.00 C ATOM 681 O TRP A 50 -18.717 36.876 -26.016 1.00 0.00 O ATOM 682 CB TRP A 50 -16.697 35.045 -24.551 1.00 0.00 C ATOM 683 CG TRP A 50 -16.192 33.808 -23.889 1.00 0.00 C ATOM 684 CD1 TRP A 50 -15.664 32.741 -24.531 1.00 0.00 C ATOM 685 CD2 TRP A 50 -16.155 33.493 -22.470 1.00 0.00 C ATOM 686 NE1 TRP A 50 -15.309 31.788 -23.595 1.00 0.00 N ATOM 687 CE2 TRP A 50 -15.591 32.205 -22.309 1.00 0.00 C ATOM 688 CE3 TRP A 50 -16.555 34.194 -21.319 1.00 0.00 C ATOM 689 CZ2 TRP A 50 -15.429 31.633 -21.050 1.00 0.00 C ATOM 690 CZ3 TRP A 50 -16.392 33.621 -20.049 1.00 0.00 C ATOM 691 CH2 TRP A 50 -15.830 32.342 -19.918 1.00 0.00 C ATOM 0 H TRP A 50 -17.798 33.756 -26.227 1.00 0.00 H new ATOM 0 HA TRP A 50 -18.648 34.730 -23.612 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -16.311 35.108 -25.568 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -16.339 35.926 -24.019 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -15.540 32.649 -25.600 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -14.890 30.887 -23.826 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -16.990 35.178 -21.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -14.996 30.648 -20.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -16.700 34.166 -19.169 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -15.708 31.905 -18.938 1.00 0.00 H new ATOM 702 N SER A 51 -19.264 37.123 -23.907 1.00 0.00 N ATOM 703 CA SER A 51 -19.796 38.488 -24.175 1.00 0.00 C ATOM 704 C SER A 51 -19.602 39.406 -22.963 1.00 0.00 C ATOM 705 O SER A 51 -19.598 38.971 -21.827 1.00 0.00 O ATOM 706 CB SER A 51 -21.283 38.281 -24.453 1.00 0.00 C ATOM 707 OG SER A 51 -21.573 38.693 -25.782 1.00 0.00 O ATOM 0 H SER A 51 -19.330 36.809 -22.939 1.00 0.00 H new ATOM 0 HA SER A 51 -19.279 38.966 -25.007 1.00 0.00 H new ATOM 0 HB2 SER A 51 -21.547 37.232 -24.319 1.00 0.00 H new ATOM 0 HB3 SER A 51 -21.881 38.853 -23.744 1.00 0.00 H new ATOM 0 HG SER A 51 -22.527 38.560 -25.965 1.00 0.00 H new ATOM 713 N ASP A 52 -19.456 40.679 -23.210 1.00 0.00 N ATOM 714 CA ASP A 52 -19.278 41.663 -22.101 1.00 0.00 C ATOM 715 C ASP A 52 -17.977 41.420 -21.335 1.00 0.00 C ATOM 716 O ASP A 52 -17.990 41.089 -20.166 1.00 0.00 O ATOM 717 CB ASP A 52 -20.487 41.461 -21.188 1.00 0.00 C ATOM 718 CG ASP A 52 -21.195 42.800 -20.979 1.00 0.00 C ATOM 719 OD1 ASP A 52 -21.792 43.287 -21.925 1.00 0.00 O ATOM 720 OD2 ASP A 52 -21.130 43.317 -19.875 1.00 0.00 O ATOM 0 H ASP A 52 -19.452 41.086 -24.145 1.00 0.00 H new ATOM 0 HA ASP A 52 -19.214 42.682 -22.482 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -21.174 40.739 -21.630 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -20.168 41.052 -20.229 1.00 0.00 H new ATOM 725 N PRO A 53 -16.897 41.622 -22.028 1.00 0.00 N ATOM 726 CA PRO A 53 -15.555 41.465 -21.440 1.00 0.00 C ATOM 727 C PRO A 53 -15.079 42.810 -20.882 1.00 0.00 C ATOM 728 O PRO A 53 -15.239 43.831 -21.520 1.00 0.00 O ATOM 729 CB PRO A 53 -14.706 41.059 -22.636 1.00 0.00 C ATOM 730 CG PRO A 53 -15.422 41.606 -23.846 1.00 0.00 C ATOM 731 CD PRO A 53 -16.823 42.007 -23.430 1.00 0.00 C ATOM 0 HA PRO A 53 -15.513 40.748 -20.620 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.699 41.468 -22.559 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.606 39.975 -22.696 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.885 42.465 -24.249 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -15.461 40.856 -24.636 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -16.987 43.077 -23.559 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -17.578 41.494 -24.025 1.00 0.00 H new ATOM 739 N PRO A 54 -14.510 42.771 -19.711 1.00 0.00 N ATOM 740 CA PRO A 54 -14.014 44.008 -19.078 1.00 0.00 C ATOM 741 C PRO A 54 -12.649 44.398 -19.647 1.00 0.00 C ATOM 742 O PRO A 54 -12.109 43.736 -20.511 1.00 0.00 O ATOM 743 CB PRO A 54 -13.924 43.643 -17.602 1.00 0.00 C ATOM 744 CG PRO A 54 -13.769 42.152 -17.564 1.00 0.00 C ATOM 745 CD PRO A 54 -14.279 41.591 -18.875 1.00 0.00 C ATOM 0 HA PRO A 54 -14.658 44.870 -19.254 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.077 44.137 -17.127 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.819 43.958 -17.065 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.723 41.882 -17.416 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.328 41.733 -16.728 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -13.551 40.919 -19.329 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -15.196 41.019 -18.733 1.00 0.00 H new ATOM 753 N THR A 55 -12.103 45.487 -19.185 1.00 0.00 N ATOM 754 CA THR A 55 -10.789 45.949 -19.710 1.00 0.00 C ATOM 755 C THR A 55 -9.769 46.116 -18.587 1.00 0.00 C ATOM 756 O THR A 55 -10.102 46.468 -17.473 1.00 0.00 O ATOM 757 CB THR A 55 -11.090 47.312 -20.333 1.00 0.00 C ATOM 758 OG1 THR A 55 -11.970 48.030 -19.483 1.00 0.00 O ATOM 759 CG2 THR A 55 -11.752 47.121 -21.694 1.00 0.00 C ATOM 0 H THR A 55 -12.512 46.080 -18.463 1.00 0.00 H new ATOM 0 HA THR A 55 -10.363 45.234 -20.414 1.00 0.00 H new ATOM 0 HB THR A 55 -10.160 47.866 -20.457 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.203 48.886 -19.901 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.965 48.095 -22.135 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.082 46.565 -22.350 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.683 46.567 -21.571 1.00 0.00 H new ATOM 767 N CYS A 56 -8.521 45.899 -18.888 1.00 0.00 N ATOM 768 CA CYS A 56 -7.464 46.081 -17.859 1.00 0.00 C ATOM 769 C CYS A 56 -6.633 47.300 -18.231 1.00 0.00 C ATOM 770 O CYS A 56 -5.552 47.197 -18.776 1.00 0.00 O ATOM 771 CB CYS A 56 -6.627 44.801 -17.898 1.00 0.00 C ATOM 772 SG CYS A 56 -7.613 43.419 -17.269 1.00 0.00 S ATOM 0 H CYS A 56 -8.187 45.603 -19.805 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.862 46.245 -16.858 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.303 44.596 -18.918 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.727 44.924 -17.296 1.00 0.00 H new ATOM 777 N GLN A 57 -7.154 48.458 -17.953 1.00 0.00 N ATOM 778 CA GLN A 57 -6.429 49.708 -18.300 1.00 0.00 C ATOM 779 C GLN A 57 -5.982 50.432 -17.033 1.00 0.00 C ATOM 780 O GLN A 57 -5.882 49.849 -15.973 1.00 0.00 O ATOM 781 CB GLN A 57 -7.421 50.584 -19.089 1.00 0.00 C ATOM 782 CG GLN A 57 -8.819 49.949 -19.154 1.00 0.00 C ATOM 783 CD GLN A 57 -9.721 50.794 -20.055 1.00 0.00 C ATOM 784 OE1 GLN A 57 -10.199 50.324 -21.069 1.00 0.00 O ATOM 785 NE2 GLN A 57 -9.978 52.031 -19.727 1.00 0.00 N ATOM 0 H GLN A 57 -8.056 48.594 -17.497 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.536 49.493 -18.887 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.490 51.566 -18.621 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.045 50.738 -20.100 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.751 48.932 -19.541 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.247 49.882 -18.154 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.578 52.427 -18.876 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.579 52.602 -20.321 1.00 0.00 H new ATOM 794 N ILE A 58 -5.713 51.703 -17.136 1.00 0.00 N ATOM 795 CA ILE A 58 -5.274 52.474 -15.941 1.00 0.00 C ATOM 796 C ILE A 58 -6.297 53.574 -15.657 1.00 0.00 C ATOM 797 O ILE A 58 -6.627 54.361 -16.521 1.00 0.00 O ATOM 798 CB ILE A 58 -3.905 53.082 -16.298 1.00 0.00 C ATOM 799 CG1 ILE A 58 -3.253 52.321 -17.462 1.00 0.00 C ATOM 800 CG2 ILE A 58 -2.989 52.992 -15.081 1.00 0.00 C ATOM 801 CD1 ILE A 58 -3.681 52.952 -18.788 1.00 0.00 C ATOM 0 H ILE A 58 -5.779 52.242 -17.999 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.195 51.849 -15.051 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.054 54.120 -16.595 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.168 52.350 -17.367 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.547 51.272 -17.435 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.017 53.420 -15.325 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.431 53.544 -14.251 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.864 51.947 -14.796 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.218 52.412 -19.614 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.766 52.900 -18.883 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.364 53.995 -18.814 1.00 0.00 H new ATOM 813 N VAL A 59 -6.817 53.627 -14.463 1.00 0.00 N ATOM 814 CA VAL A 59 -7.835 54.674 -14.151 1.00 0.00 C ATOM 815 C VAL A 59 -7.369 55.590 -13.046 1.00 0.00 C ATOM 816 O VAL A 59 -8.070 55.804 -12.080 1.00 0.00 O ATOM 817 CB VAL A 59 -9.065 53.932 -13.657 1.00 0.00 C ATOM 818 CG1 VAL A 59 -9.543 52.930 -14.708 1.00 0.00 C ATOM 819 CG2 VAL A 59 -8.711 53.211 -12.360 1.00 0.00 C ATOM 0 H VAL A 59 -6.585 52.998 -13.694 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.024 55.282 -15.036 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.873 54.641 -13.477 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.425 52.407 -14.338 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.794 53.459 -15.627 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.751 52.208 -14.909 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.585 52.673 -11.993 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.902 52.505 -12.546 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.393 53.939 -11.614 1.00 0.00 H new ATOM 829 N LYS A 60 -6.225 56.155 -13.170 1.00 0.00 N ATOM 830 CA LYS A 60 -5.787 57.072 -12.093 1.00 0.00 C ATOM 831 C LYS A 60 -6.794 58.210 -12.007 1.00 0.00 C ATOM 832 O LYS A 60 -7.769 58.228 -12.728 1.00 0.00 O ATOM 833 CB LYS A 60 -4.401 57.576 -12.499 1.00 0.00 C ATOM 834 CG LYS A 60 -3.462 56.387 -12.708 1.00 0.00 C ATOM 835 CD LYS A 60 -2.149 56.875 -13.325 1.00 0.00 C ATOM 836 CE LYS A 60 -1.010 56.689 -12.320 1.00 0.00 C ATOM 837 NZ LYS A 60 0.087 57.566 -12.816 1.00 0.00 N ATOM 0 H LYS A 60 -5.578 56.033 -13.949 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.733 56.594 -11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.470 58.162 -13.415 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.003 58.235 -11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.267 55.892 -11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.931 55.650 -13.360 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.936 56.320 -14.238 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.234 57.925 -13.603 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.320 56.974 -11.315 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.692 55.648 -12.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.905 57.493 -12.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.366 57.266 -13.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.243 58.552 -12.845 1.00 0.00 H new ATOM 851 N CYS A 61 -6.602 59.139 -11.123 1.00 0.00 N ATOM 852 CA CYS A 61 -7.608 60.233 -11.010 1.00 0.00 C ATOM 853 C CYS A 61 -6.968 61.611 -10.863 1.00 0.00 C ATOM 854 O CYS A 61 -5.822 61.741 -10.480 1.00 0.00 O ATOM 855 CB CYS A 61 -8.395 59.889 -9.754 1.00 0.00 C ATOM 856 SG CYS A 61 -9.315 58.364 -10.038 1.00 0.00 S ATOM 0 H CYS A 61 -5.810 59.194 -10.483 1.00 0.00 H new ATOM 0 HA CYS A 61 -8.221 60.294 -11.909 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.719 59.769 -8.907 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.079 60.700 -9.504 1.00 0.00 H new ATOM 861 N PRO A 62 -7.770 62.599 -11.162 1.00 0.00 N ATOM 862 CA PRO A 62 -7.341 64.006 -11.057 1.00 0.00 C ATOM 863 C PRO A 62 -7.539 64.506 -9.627 1.00 0.00 C ATOM 864 O PRO A 62 -6.599 64.702 -8.883 1.00 0.00 O ATOM 865 CB PRO A 62 -8.287 64.733 -12.009 1.00 0.00 C ATOM 866 CG PRO A 62 -9.512 63.873 -12.110 1.00 0.00 C ATOM 867 CD PRO A 62 -9.154 62.485 -11.632 1.00 0.00 C ATOM 0 HA PRO A 62 -6.290 64.158 -11.301 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.536 65.724 -11.630 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.826 64.872 -12.987 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.318 64.287 -11.505 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.870 63.840 -13.139 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.818 62.158 -10.832 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.240 61.755 -12.436 1.00 0.00 H new ATOM 875 N HIS A 63 -8.768 64.716 -9.250 1.00 0.00 N ATOM 876 CA HIS A 63 -9.077 65.209 -7.880 1.00 0.00 C ATOM 877 C HIS A 63 -10.523 65.699 -7.835 1.00 0.00 C ATOM 878 O HIS A 63 -10.915 66.541 -8.616 1.00 0.00 O ATOM 879 CB HIS A 63 -8.135 66.382 -7.646 1.00 0.00 C ATOM 880 CG HIS A 63 -7.208 66.079 -6.503 1.00 0.00 C ATOM 881 ND1 HIS A 63 -7.306 65.210 -5.446 1.00 0.00 N flip ATOM 882 CD2 HIS A 63 -5.999 66.735 -6.343 1.00 0.00 C flip ATOM 883 CE1 HIS A 63 -6.178 65.324 -4.640 1.00 0.00 C flip ATOM 884 NE2 HIS A 63 -5.423 66.258 -5.226 1.00 0.00 N flip ATOM 0 H HIS A 63 -9.584 64.564 -9.843 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.954 64.432 -7.126 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.558 66.581 -8.549 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.710 67.283 -7.430 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -8.087 64.577 -5.277 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.593 67.492 -6.997 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.959 64.776 -3.736 1.00 0.00 H new ATOM 892 N PRO A 64 -11.268 65.158 -6.921 1.00 0.00 N ATOM 893 CA PRO A 64 -12.682 65.553 -6.777 1.00 0.00 C ATOM 894 C PRO A 64 -12.772 66.902 -6.062 1.00 0.00 C ATOM 895 O PRO A 64 -13.270 67.004 -4.959 1.00 0.00 O ATOM 896 CB PRO A 64 -13.276 64.438 -5.930 1.00 0.00 C ATOM 897 CG PRO A 64 -12.126 63.869 -5.158 1.00 0.00 C ATOM 898 CD PRO A 64 -10.870 64.140 -5.947 1.00 0.00 C ATOM 0 HA PRO A 64 -13.204 65.675 -7.726 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.047 64.821 -5.261 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.745 63.677 -6.554 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.064 64.326 -4.170 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.259 62.798 -5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.066 64.497 -5.304 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.507 63.238 -6.440 1.00 0.00 H new ATOM 906 N THR A 65 -12.284 67.935 -6.689 1.00 0.00 N ATOM 907 CA THR A 65 -12.326 69.287 -6.057 1.00 0.00 C ATOM 908 C THR A 65 -13.699 69.926 -6.263 1.00 0.00 C ATOM 909 O THR A 65 -14.457 69.527 -7.124 1.00 0.00 O ATOM 910 CB THR A 65 -11.248 70.098 -6.775 1.00 0.00 C ATOM 911 OG1 THR A 65 -10.840 69.413 -7.952 1.00 0.00 O ATOM 912 CG2 THR A 65 -10.050 70.280 -5.847 1.00 0.00 C ATOM 0 H THR A 65 -11.856 67.903 -7.614 1.00 0.00 H new ATOM 0 HA THR A 65 -12.154 69.242 -4.982 1.00 0.00 H new ATOM 0 HB THR A 65 -11.649 71.074 -7.048 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.150 69.935 -8.412 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.279 70.858 -6.357 1.00 0.00 H new ATOM 0 HG22 THR A 65 -10.364 70.808 -4.947 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.650 69.304 -5.574 1.00 0.00 H new ATOM 920 N ILE A 66 -14.030 70.914 -5.478 1.00 0.00 N ATOM 921 CA ILE A 66 -15.362 71.562 -5.638 1.00 0.00 C ATOM 922 C ILE A 66 -15.346 72.983 -5.067 1.00 0.00 C ATOM 923 O ILE A 66 -14.432 73.379 -4.372 1.00 0.00 O ATOM 924 CB ILE A 66 -16.343 70.655 -4.876 1.00 0.00 C ATOM 925 CG1 ILE A 66 -17.564 71.445 -4.403 1.00 0.00 C ATOM 926 CG2 ILE A 66 -15.662 70.035 -3.659 1.00 0.00 C ATOM 927 CD1 ILE A 66 -18.575 70.466 -3.802 1.00 0.00 C ATOM 0 H ILE A 66 -13.441 71.298 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.648 71.666 -6.685 1.00 0.00 H new ATOM 0 HB ILE A 66 -16.663 69.870 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -17.270 72.188 -3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -18.011 71.986 -5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -16.371 69.396 -3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -14.809 69.440 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.320 70.826 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -19.453 71.014 -3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -18.873 69.740 -4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.121 69.945 -2.959 1.00 0.00 H new ATOM 939 N SER A 67 -16.355 73.751 -5.372 1.00 0.00 N ATOM 940 CA SER A 67 -16.413 75.156 -4.869 1.00 0.00 C ATOM 941 C SER A 67 -16.838 75.187 -3.400 1.00 0.00 C ATOM 942 O SER A 67 -17.982 74.945 -3.069 1.00 0.00 O ATOM 943 CB SER A 67 -17.460 75.847 -5.742 1.00 0.00 C ATOM 944 OG SER A 67 -16.834 76.874 -6.502 1.00 0.00 O ATOM 0 H SER A 67 -17.146 73.467 -5.950 1.00 0.00 H new ATOM 0 HA SER A 67 -15.442 75.648 -4.924 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.932 75.123 -6.406 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.249 76.269 -5.119 1.00 0.00 H new ATOM 0 HG SER A 67 -17.502 77.318 -7.064 1.00 0.00 H new ATOM 950 N ASN A 68 -15.923 75.493 -2.519 1.00 0.00 N ATOM 951 CA ASN A 68 -16.264 75.553 -1.067 1.00 0.00 C ATOM 952 C ASN A 68 -17.213 74.411 -0.688 1.00 0.00 C ATOM 953 O ASN A 68 -18.147 74.593 0.066 1.00 0.00 O ATOM 954 CB ASN A 68 -16.951 76.906 -0.880 1.00 0.00 C ATOM 955 CG ASN A 68 -15.899 77.978 -0.588 1.00 0.00 C ATOM 956 OD1 ASN A 68 -14.707 77.865 -1.108 1.00 0.00 O flip ATOM 957 ND2 ASN A 68 -16.164 78.926 0.124 1.00 0.00 N flip ATOM 0 H ASN A 68 -14.951 75.705 -2.743 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.383 75.449 -0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -17.512 77.167 -1.777 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -17.667 76.852 -0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -17.095 79.014 0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.455 79.634 0.316 1.00 0.00 H new ATOM 964 N GLY A 69 -16.981 73.236 -1.202 1.00 0.00 N ATOM 965 CA GLY A 69 -17.871 72.089 -0.864 1.00 0.00 C ATOM 966 C GLY A 69 -17.074 70.786 -0.955 1.00 0.00 C ATOM 967 O GLY A 69 -17.593 69.752 -1.326 1.00 0.00 O ATOM 0 H GLY A 69 -16.215 73.020 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -18.276 72.212 0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.719 72.058 -1.548 1.00 0.00 H new ATOM 971 N TYR A 70 -15.811 70.844 -0.632 1.00 0.00 N ATOM 972 CA TYR A 70 -14.941 69.632 -0.696 1.00 0.00 C ATOM 973 C TYR A 70 -15.606 68.410 -0.098 1.00 0.00 C ATOM 974 O TYR A 70 -16.740 68.425 0.327 1.00 0.00 O ATOM 975 CB TYR A 70 -13.690 69.963 0.118 1.00 0.00 C ATOM 976 CG TYR A 70 -14.008 69.959 1.601 1.00 0.00 C ATOM 977 CD1 TYR A 70 -15.025 70.779 2.113 1.00 0.00 C ATOM 978 CD2 TYR A 70 -13.279 69.133 2.468 1.00 0.00 C ATOM 979 CE1 TYR A 70 -15.309 70.770 3.485 1.00 0.00 C ATOM 980 CE2 TYR A 70 -13.564 69.126 3.839 1.00 0.00 C ATOM 981 CZ TYR A 70 -14.579 69.945 4.347 1.00 0.00 C ATOM 982 OH TYR A 70 -14.860 69.938 5.697 1.00 0.00 O ATOM 0 H TYR A 70 -15.337 71.692 -0.322 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.723 69.395 -1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.907 69.235 -0.094 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.305 70.940 -0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -15.589 71.417 1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.496 68.500 2.078 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -16.093 71.401 3.878 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -13.001 68.489 4.504 1.00 0.00 H new ATOM 0 HH TYR A 70 -14.262 69.309 6.152 1.00 0.00 H new ATOM 992 N LEU A 71 -14.866 67.354 -0.055 1.00 0.00 N ATOM 993 CA LEU A 71 -15.391 66.086 0.522 1.00 0.00 C ATOM 994 C LEU A 71 -14.656 65.762 1.827 1.00 0.00 C ATOM 995 O LEU A 71 -13.599 66.293 2.104 1.00 0.00 O ATOM 996 CB LEU A 71 -15.186 65.001 -0.562 1.00 0.00 C ATOM 997 CG LEU A 71 -13.765 65.007 -1.153 1.00 0.00 C ATOM 998 CD1 LEU A 71 -13.678 66.056 -2.254 1.00 0.00 C ATOM 999 CD2 LEU A 71 -12.712 65.295 -0.078 1.00 0.00 C ATOM 0 H LEU A 71 -13.906 67.306 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 71 -16.448 66.153 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.391 64.021 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.908 65.154 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.562 64.018 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.672 66.061 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.397 65.820 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.903 67.038 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.720 65.292 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.904 66.271 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.761 64.527 0.694 1.00 0.00 H new ATOM 1011 N SER A 72 -15.211 64.915 2.644 1.00 0.00 N ATOM 1012 CA SER A 72 -14.536 64.590 3.931 1.00 0.00 C ATOM 1013 C SER A 72 -14.723 63.110 4.272 1.00 0.00 C ATOM 1014 O SER A 72 -14.768 62.729 5.425 1.00 0.00 O ATOM 1015 CB SER A 72 -15.230 65.470 4.969 1.00 0.00 C ATOM 1016 OG SER A 72 -14.247 66.117 5.768 1.00 0.00 O ATOM 0 H SER A 72 -16.096 64.436 2.480 1.00 0.00 H new ATOM 0 HA SER A 72 -13.462 64.770 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.858 66.211 4.474 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.885 64.865 5.596 1.00 0.00 H new ATOM 0 HG SER A 72 -13.990 66.964 5.348 1.00 0.00 H new ATOM 1022 N SER A 73 -14.837 62.273 3.278 1.00 0.00 N ATOM 1023 CA SER A 73 -15.028 60.819 3.547 1.00 0.00 C ATOM 1024 C SER A 73 -13.782 60.031 3.138 1.00 0.00 C ATOM 1025 O SER A 73 -12.909 59.772 3.943 1.00 0.00 O ATOM 1026 CB SER A 73 -16.224 60.416 2.687 1.00 0.00 C ATOM 1027 OG SER A 73 -16.380 59.004 2.731 1.00 0.00 O ATOM 0 H SER A 73 -14.806 62.532 2.292 1.00 0.00 H new ATOM 0 HA SER A 73 -15.195 60.614 4.604 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.128 60.905 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.074 60.745 1.659 1.00 0.00 H new ATOM 0 HG SER A 73 -17.148 58.742 2.181 1.00 0.00 H new ATOM 1033 N GLY A 74 -13.693 59.645 1.896 1.00 0.00 N ATOM 1034 CA GLY A 74 -12.505 58.870 1.441 1.00 0.00 C ATOM 1035 C GLY A 74 -11.758 59.650 0.362 1.00 0.00 C ATOM 1036 O GLY A 74 -11.774 59.296 -0.800 1.00 0.00 O ATOM 0 H GLY A 74 -14.391 59.832 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.843 58.674 2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.819 57.902 1.051 1.00 0.00 H new ATOM 1040 N PHE A 75 -11.097 60.705 0.740 1.00 0.00 N ATOM 1041 CA PHE A 75 -10.340 61.506 -0.261 1.00 0.00 C ATOM 1042 C PHE A 75 -8.853 61.135 -0.214 1.00 0.00 C ATOM 1043 O PHE A 75 -8.390 60.492 0.707 1.00 0.00 O ATOM 1044 CB PHE A 75 -10.554 62.965 0.149 1.00 0.00 C ATOM 1045 CG PHE A 75 -9.489 63.835 -0.487 1.00 0.00 C ATOM 1046 CD1 PHE A 75 -8.199 63.873 0.056 1.00 0.00 C ATOM 1047 CD2 PHE A 75 -9.790 64.595 -1.624 1.00 0.00 C ATOM 1048 CE1 PHE A 75 -7.212 64.670 -0.538 1.00 0.00 C ATOM 1049 CE2 PHE A 75 -8.803 65.391 -2.218 1.00 0.00 C ATOM 1050 CZ PHE A 75 -7.514 65.428 -1.675 1.00 0.00 C ATOM 0 H PHE A 75 -11.047 61.049 1.699 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.678 61.324 -1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -11.544 63.299 -0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.513 63.058 1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.965 63.288 0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.785 64.567 -2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.217 64.700 -0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.037 65.976 -3.095 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.752 66.041 -2.133 1.00 0.00 H new ATOM 1060 N LYS A 76 -8.104 61.539 -1.204 1.00 0.00 N ATOM 1061 CA LYS A 76 -6.648 61.217 -1.225 1.00 0.00 C ATOM 1062 C LYS A 76 -5.964 61.984 -2.359 1.00 0.00 C ATOM 1063 O LYS A 76 -6.605 62.443 -3.282 1.00 0.00 O ATOM 1064 CB LYS A 76 -6.580 59.711 -1.480 1.00 0.00 C ATOM 1065 CG LYS A 76 -5.460 59.101 -0.636 1.00 0.00 C ATOM 1066 CD LYS A 76 -4.143 59.153 -1.414 1.00 0.00 C ATOM 1067 CE LYS A 76 -3.023 59.641 -0.492 1.00 0.00 C ATOM 1068 NZ LYS A 76 -2.010 58.548 -0.501 1.00 0.00 N ATOM 0 H LYS A 76 -8.439 62.080 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.145 61.495 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.533 59.246 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.399 59.518 -2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.361 59.646 0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.703 58.069 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.901 58.165 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.240 59.821 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.596 60.577 -0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.394 59.826 0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.210 58.811 0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.443 57.671 -0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.669 58.399 -1.472 1.00 0.00 H new ATOM 1082 N ARG A 77 -4.670 62.126 -2.306 1.00 0.00 N ATOM 1083 CA ARG A 77 -3.970 62.862 -3.396 1.00 0.00 C ATOM 1084 C ARG A 77 -4.394 62.291 -4.750 1.00 0.00 C ATOM 1085 O ARG A 77 -4.476 62.992 -5.739 1.00 0.00 O ATOM 1086 CB ARG A 77 -2.482 62.617 -3.152 1.00 0.00 C ATOM 1087 CG ARG A 77 -1.973 63.608 -2.107 1.00 0.00 C ATOM 1088 CD ARG A 77 -0.508 63.307 -1.779 1.00 0.00 C ATOM 1089 NE ARG A 77 0.261 63.792 -2.959 1.00 0.00 N ATOM 1090 CZ ARG A 77 1.559 63.914 -2.887 1.00 0.00 C ATOM 1091 NH1 ARG A 77 2.232 63.209 -2.020 1.00 0.00 N ATOM 1092 NH2 ARG A 77 2.184 64.740 -3.681 1.00 0.00 N ATOM 0 H ARG A 77 -4.070 61.768 -1.562 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.205 63.926 -3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.321 61.595 -2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.925 62.733 -4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.070 64.627 -2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.579 63.541 -1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.195 63.817 -0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.351 62.241 -1.617 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.226 64.029 -3.823 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.744 62.563 -1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.246 63.304 -1.963 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.658 65.292 -4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 77 3.198 64.834 -3.623 1.00 0.00 H new ATOM 1106 N SER A 78 -4.669 61.019 -4.789 1.00 0.00 N ATOM 1107 CA SER A 78 -5.098 60.378 -6.066 1.00 0.00 C ATOM 1108 C SER A 78 -6.130 59.283 -5.776 1.00 0.00 C ATOM 1109 O SER A 78 -6.364 58.925 -4.640 1.00 0.00 O ATOM 1110 CB SER A 78 -3.825 59.774 -6.657 1.00 0.00 C ATOM 1111 OG SER A 78 -2.721 60.619 -6.360 1.00 0.00 O ATOM 0 H SER A 78 -4.615 60.390 -3.988 1.00 0.00 H new ATOM 0 HA SER A 78 -5.564 61.086 -6.751 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.656 58.779 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.930 59.660 -7.736 1.00 0.00 H new ATOM 0 HG SER A 78 -1.903 60.233 -6.737 1.00 0.00 H new ATOM 1117 N TYR A 79 -6.746 58.748 -6.794 1.00 0.00 N ATOM 1118 CA TYR A 79 -7.761 57.676 -6.573 1.00 0.00 C ATOM 1119 C TYR A 79 -7.682 56.639 -7.703 1.00 0.00 C ATOM 1120 O TYR A 79 -6.609 56.209 -8.079 1.00 0.00 O ATOM 1121 CB TYR A 79 -9.115 58.391 -6.581 1.00 0.00 C ATOM 1122 CG TYR A 79 -9.021 59.693 -5.819 1.00 0.00 C ATOM 1123 CD1 TYR A 79 -8.471 60.831 -6.429 1.00 0.00 C ATOM 1124 CD2 TYR A 79 -9.492 59.766 -4.505 1.00 0.00 C ATOM 1125 CE1 TYR A 79 -8.397 62.035 -5.722 1.00 0.00 C ATOM 1126 CE2 TYR A 79 -9.415 60.968 -3.800 1.00 0.00 C ATOM 1127 CZ TYR A 79 -8.869 62.102 -4.408 1.00 0.00 C ATOM 1128 OH TYR A 79 -8.800 63.288 -3.712 1.00 0.00 O ATOM 0 H TYR A 79 -6.592 59.006 -7.769 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.600 57.140 -5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.427 58.583 -7.608 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.875 57.752 -6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.105 60.777 -7.444 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.916 58.891 -4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -7.976 62.912 -6.191 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.777 61.022 -2.784 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.453 63.277 -2.981 1.00 0.00 H new ATOM 1138 N SER A 80 -8.798 56.228 -8.249 1.00 0.00 N ATOM 1139 CA SER A 80 -8.742 55.218 -9.348 1.00 0.00 C ATOM 1140 C SER A 80 -10.105 55.099 -10.065 1.00 0.00 C ATOM 1141 O SER A 80 -10.714 56.082 -10.429 1.00 0.00 O ATOM 1142 CB SER A 80 -8.380 53.911 -8.646 1.00 0.00 C ATOM 1143 OG SER A 80 -9.499 53.451 -7.901 1.00 0.00 O ATOM 0 H SER A 80 -9.732 56.542 -7.987 1.00 0.00 H new ATOM 0 HA SER A 80 -8.021 55.489 -10.120 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.084 53.161 -9.380 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.527 54.064 -7.985 1.00 0.00 H new ATOM 0 HG SER A 80 -9.270 52.611 -7.451 1.00 0.00 H new ATOM 1149 N TYR A 81 -10.576 53.896 -10.291 1.00 0.00 N ATOM 1150 CA TYR A 81 -11.880 53.712 -11.005 1.00 0.00 C ATOM 1151 C TYR A 81 -13.057 53.749 -10.015 1.00 0.00 C ATOM 1152 O TYR A 81 -14.164 53.366 -10.341 1.00 0.00 O ATOM 1153 CB TYR A 81 -11.735 52.339 -11.692 1.00 0.00 C ATOM 1154 CG TYR A 81 -12.897 51.423 -11.372 1.00 0.00 C ATOM 1155 CD1 TYR A 81 -13.031 50.887 -10.086 1.00 0.00 C ATOM 1156 CD2 TYR A 81 -13.832 51.108 -12.364 1.00 0.00 C ATOM 1157 CE1 TYR A 81 -14.103 50.036 -9.791 1.00 0.00 C ATOM 1158 CE2 TYR A 81 -14.904 50.257 -12.069 1.00 0.00 C ATOM 1159 CZ TYR A 81 -15.039 49.721 -10.783 1.00 0.00 C ATOM 1160 OH TYR A 81 -16.094 48.882 -10.494 1.00 0.00 O ATOM 0 H TYR A 81 -10.113 53.031 -10.011 1.00 0.00 H new ATOM 0 HA TYR A 81 -12.092 54.504 -11.723 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.669 52.478 -12.771 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.804 51.870 -11.373 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.308 51.130 -9.322 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -13.727 51.521 -13.356 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.208 49.623 -8.799 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.627 50.014 -12.834 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.650 48.768 -11.293 1.00 0.00 H new ATOM 1170 N ASN A 82 -12.839 54.212 -8.816 1.00 0.00 N ATOM 1171 CA ASN A 82 -13.960 54.263 -7.837 1.00 0.00 C ATOM 1172 C ASN A 82 -13.648 55.245 -6.705 1.00 0.00 C ATOM 1173 O ASN A 82 -13.526 56.434 -6.929 1.00 0.00 O ATOM 1174 CB ASN A 82 -14.089 52.830 -7.318 1.00 0.00 C ATOM 1175 CG ASN A 82 -15.392 52.685 -6.532 1.00 0.00 C ATOM 1176 OD1 ASN A 82 -16.442 53.079 -6.998 1.00 0.00 O ATOM 1177 ND2 ASN A 82 -15.369 52.132 -5.350 1.00 0.00 N ATOM 0 H ASN A 82 -11.941 54.555 -8.474 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.889 54.614 -8.286 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -14.075 52.128 -8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.239 52.585 -6.681 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.233 52.031 -4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.487 51.801 -4.959 1.00 0.00 H new ATOM 1184 N ASP A 83 -13.545 54.780 -5.491 1.00 0.00 N ATOM 1185 CA ASP A 83 -13.274 55.720 -4.373 1.00 0.00 C ATOM 1186 C ASP A 83 -14.330 56.822 -4.387 1.00 0.00 C ATOM 1187 O ASP A 83 -14.087 57.926 -4.832 1.00 0.00 O ATOM 1188 CB ASP A 83 -11.888 56.297 -4.653 1.00 0.00 C ATOM 1189 CG ASP A 83 -10.823 55.255 -4.308 1.00 0.00 C ATOM 1190 OD1 ASP A 83 -11.124 54.076 -4.401 1.00 0.00 O ATOM 1191 OD2 ASP A 83 -9.726 55.654 -3.956 1.00 0.00 O ATOM 0 H ASP A 83 -13.636 53.799 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.308 55.237 -3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.806 56.583 -5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.733 57.201 -4.063 1.00 0.00 H new ATOM 1196 N ASN A 84 -15.509 56.521 -3.923 1.00 0.00 N ATOM 1197 CA ASN A 84 -16.589 57.542 -3.933 1.00 0.00 C ATOM 1198 C ASN A 84 -16.312 58.627 -2.889 1.00 0.00 C ATOM 1199 O ASN A 84 -16.399 58.390 -1.700 1.00 0.00 O ATOM 1200 CB ASN A 84 -17.862 56.775 -3.580 1.00 0.00 C ATOM 1201 CG ASN A 84 -19.007 57.764 -3.360 1.00 0.00 C ATOM 1202 OD1 ASN A 84 -19.279 58.158 -2.243 1.00 0.00 O ATOM 1203 ND2 ASN A 84 -19.694 58.186 -4.386 1.00 0.00 N ATOM 0 H ASN A 84 -15.771 55.613 -3.538 1.00 0.00 H new ATOM 0 HA ASN A 84 -16.667 58.045 -4.897 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.115 56.081 -4.381 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -17.703 56.180 -2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -20.459 58.847 -4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -19.466 57.855 -5.324 1.00 0.00 H new ATOM 1210 N VAL A 85 -15.983 59.817 -3.315 1.00 0.00 N ATOM 1211 CA VAL A 85 -15.712 60.899 -2.326 1.00 0.00 C ATOM 1212 C VAL A 85 -17.009 61.618 -1.950 1.00 0.00 C ATOM 1213 O VAL A 85 -17.669 62.207 -2.783 1.00 0.00 O ATOM 1214 CB VAL A 85 -14.750 61.866 -3.007 1.00 0.00 C ATOM 1215 CG1 VAL A 85 -13.376 61.205 -3.139 1.00 0.00 C ATOM 1216 CG2 VAL A 85 -15.278 62.239 -4.393 1.00 0.00 C ATOM 0 H VAL A 85 -15.891 60.085 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 85 -15.288 60.496 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.664 62.771 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.686 61.894 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.998 60.951 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.465 60.298 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -14.585 62.930 -4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.372 61.339 -5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -16.254 62.714 -4.295 1.00 0.00 H new ATOM 1226 N ASP A 86 -17.370 61.587 -0.697 1.00 0.00 N ATOM 1227 CA ASP A 86 -18.616 62.284 -0.264 1.00 0.00 C ATOM 1228 C ASP A 86 -18.315 63.773 -0.098 1.00 0.00 C ATOM 1229 O ASP A 86 -17.350 64.150 0.535 1.00 0.00 O ATOM 1230 CB ASP A 86 -18.996 61.650 1.076 1.00 0.00 C ATOM 1231 CG ASP A 86 -20.513 61.458 1.135 1.00 0.00 C ATOM 1232 OD1 ASP A 86 -21.181 61.886 0.208 1.00 0.00 O ATOM 1233 OD2 ASP A 86 -20.981 60.886 2.106 1.00 0.00 O ATOM 0 H ASP A 86 -16.858 61.110 0.045 1.00 0.00 H new ATOM 0 HA ASP A 86 -19.429 62.188 -0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -18.492 60.691 1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -18.666 62.285 1.898 1.00 0.00 H new ATOM 1238 N PHE A 87 -19.108 64.624 -0.684 1.00 0.00 N ATOM 1239 CA PHE A 87 -18.826 66.078 -0.579 1.00 0.00 C ATOM 1240 C PHE A 87 -19.487 66.706 0.643 1.00 0.00 C ATOM 1241 O PHE A 87 -20.589 66.369 1.027 1.00 0.00 O ATOM 1242 CB PHE A 87 -19.348 66.680 -1.876 1.00 0.00 C ATOM 1243 CG PHE A 87 -18.301 66.441 -2.927 1.00 0.00 C ATOM 1244 CD1 PHE A 87 -17.097 67.151 -2.876 1.00 0.00 C ATOM 1245 CD2 PHE A 87 -18.513 65.487 -3.925 1.00 0.00 C ATOM 1246 CE1 PHE A 87 -16.102 66.905 -3.823 1.00 0.00 C ATOM 1247 CE2 PHE A 87 -17.520 65.246 -4.878 1.00 0.00 C ATOM 1248 CZ PHE A 87 -16.314 65.954 -4.824 1.00 0.00 C ATOM 0 H PHE A 87 -19.934 64.376 -1.228 1.00 0.00 H new ATOM 0 HA PHE A 87 -17.761 66.267 -0.445 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -20.293 66.218 -2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -19.537 67.747 -1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.937 67.889 -2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -19.442 64.937 -3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.170 67.449 -3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.683 64.514 -5.655 1.00 0.00 H new ATOM 0 HZ PHE A 87 -15.545 65.765 -5.558 1.00 0.00 H new ATOM 1258 N LYS A 88 -18.790 67.620 1.251 1.00 0.00 N ATOM 1259 CA LYS A 88 -19.306 68.309 2.459 1.00 0.00 C ATOM 1260 C LYS A 88 -19.368 69.813 2.201 1.00 0.00 C ATOM 1261 O LYS A 88 -18.404 70.523 2.407 1.00 0.00 O ATOM 1262 CB LYS A 88 -18.265 68.002 3.532 1.00 0.00 C ATOM 1263 CG LYS A 88 -18.909 67.194 4.660 1.00 0.00 C ATOM 1264 CD LYS A 88 -19.147 68.101 5.869 1.00 0.00 C ATOM 1265 CE LYS A 88 -18.338 67.583 7.061 1.00 0.00 C ATOM 1266 NZ LYS A 88 -19.095 66.398 7.552 1.00 0.00 N ATOM 0 H LYS A 88 -17.863 67.924 0.953 1.00 0.00 H new ATOM 0 HA LYS A 88 -20.308 67.986 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -17.436 67.442 3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -17.851 68.930 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -19.853 66.767 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -18.264 66.361 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.854 69.124 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -20.208 68.123 6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.326 67.309 6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.247 68.343 7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.964 66.303 8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -20.106 66.521 7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.744 65.541 7.078 1.00 0.00 H new ATOM 1280 N CYS A 89 -20.483 70.306 1.741 1.00 0.00 N ATOM 1281 CA CYS A 89 -20.583 71.766 1.463 1.00 0.00 C ATOM 1282 C CYS A 89 -19.924 72.569 2.585 1.00 0.00 C ATOM 1283 O CYS A 89 -20.178 72.349 3.753 1.00 0.00 O ATOM 1284 CB CYS A 89 -22.076 72.063 1.394 1.00 0.00 C ATOM 1285 SG CYS A 89 -22.403 73.029 -0.097 1.00 0.00 S ATOM 0 H CYS A 89 -21.326 69.765 1.546 1.00 0.00 H new ATOM 0 HA CYS A 89 -20.074 72.041 0.539 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -22.646 71.134 1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -22.393 72.614 2.279 1.00 0.00 H new ATOM 1290 N LYS A 90 -19.076 73.497 2.236 1.00 0.00 N ATOM 1291 CA LYS A 90 -18.394 74.314 3.281 1.00 0.00 C ATOM 1292 C LYS A 90 -19.393 74.716 4.371 1.00 0.00 C ATOM 1293 O LYS A 90 -19.567 74.022 5.352 1.00 0.00 O ATOM 1294 CB LYS A 90 -17.875 75.549 2.545 1.00 0.00 C ATOM 1295 CG LYS A 90 -16.480 75.260 1.987 1.00 0.00 C ATOM 1296 CD LYS A 90 -15.456 75.301 3.123 1.00 0.00 C ATOM 1297 CE LYS A 90 -14.689 73.978 3.168 1.00 0.00 C ATOM 1298 NZ LYS A 90 -13.533 74.235 4.071 1.00 0.00 N ATOM 0 H LYS A 90 -18.826 73.725 1.274 1.00 0.00 H new ATOM 0 HA LYS A 90 -17.589 73.768 3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -18.554 75.816 1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -17.838 76.401 3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -16.465 74.282 1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -16.222 75.995 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.764 76.130 2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.959 75.474 4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.315 73.171 3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.355 73.681 2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.958 73.372 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.951 75.003 3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.882 74.509 5.012 1.00 0.00 H new ATOM 1312 N TYR A 91 -20.050 75.832 4.206 1.00 0.00 N ATOM 1313 CA TYR A 91 -21.036 76.276 5.234 1.00 0.00 C ATOM 1314 C TYR A 91 -22.114 77.159 4.595 1.00 0.00 C ATOM 1315 O TYR A 91 -21.893 77.787 3.581 1.00 0.00 O ATOM 1316 CB TYR A 91 -20.217 77.080 6.244 1.00 0.00 C ATOM 1317 CG TYR A 91 -20.083 76.297 7.527 1.00 0.00 C ATOM 1318 CD1 TYR A 91 -19.097 75.311 7.646 1.00 0.00 C ATOM 1319 CD2 TYR A 91 -20.944 76.558 8.600 1.00 0.00 C ATOM 1320 CE1 TYR A 91 -18.971 74.586 8.836 1.00 0.00 C ATOM 1321 CE2 TYR A 91 -20.818 75.833 9.791 1.00 0.00 C ATOM 1322 CZ TYR A 91 -19.832 74.847 9.909 1.00 0.00 C ATOM 1323 OH TYR A 91 -19.708 74.132 11.083 1.00 0.00 O ATOM 0 H TYR A 91 -19.947 76.455 3.405 1.00 0.00 H new ATOM 0 HA TYR A 91 -21.551 75.436 5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -19.231 77.299 5.835 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -20.700 78.037 6.439 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -18.433 75.110 6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -21.705 77.319 8.509 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -18.210 73.825 8.927 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -21.482 76.035 10.619 1.00 0.00 H new ATOM 0 HH TYR A 91 -20.382 74.438 11.725 1.00 0.00 H new ATOM 1333 N GLY A 92 -23.278 77.211 5.184 1.00 0.00 N ATOM 1334 CA GLY A 92 -24.370 78.053 4.614 1.00 0.00 C ATOM 1335 C GLY A 92 -24.418 77.863 3.099 1.00 0.00 C ATOM 1336 O GLY A 92 -24.761 78.764 2.361 1.00 0.00 O ATOM 0 H GLY A 92 -23.521 76.706 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -25.327 77.776 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -24.199 79.102 4.855 1.00 0.00 H new ATOM 1340 N TYR A 93 -24.071 76.695 2.632 1.00 0.00 N ATOM 1341 CA TYR A 93 -24.085 76.436 1.163 1.00 0.00 C ATOM 1342 C TYR A 93 -24.543 75.001 0.880 1.00 0.00 C ATOM 1343 O TYR A 93 -24.246 74.086 1.622 1.00 0.00 O ATOM 1344 CB TYR A 93 -22.634 76.631 0.721 1.00 0.00 C ATOM 1345 CG TYR A 93 -22.257 78.093 0.801 1.00 0.00 C ATOM 1346 CD1 TYR A 93 -23.165 79.077 0.393 1.00 0.00 C ATOM 1347 CD2 TYR A 93 -20.994 78.462 1.280 1.00 0.00 C ATOM 1348 CE1 TYR A 93 -22.811 80.430 0.466 1.00 0.00 C ATOM 1349 CE2 TYR A 93 -20.640 79.814 1.353 1.00 0.00 C ATOM 1350 CZ TYR A 93 -21.548 80.798 0.946 1.00 0.00 C ATOM 1351 OH TYR A 93 -21.199 82.131 1.019 1.00 0.00 O ATOM 0 H TYR A 93 -23.777 75.905 3.207 1.00 0.00 H new ATOM 0 HA TYR A 93 -24.770 77.096 0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -21.971 76.042 1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -22.505 76.270 -0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -24.139 78.793 0.022 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -20.293 77.703 1.593 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -23.512 81.189 0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -19.666 80.098 1.723 1.00 0.00 H new ATOM 0 HH TYR A 93 -20.289 82.212 1.375 1.00 0.00 H new ATOM 1361 N LYS A 94 -25.261 74.799 -0.194 1.00 0.00 N ATOM 1362 CA LYS A 94 -25.732 73.425 -0.536 1.00 0.00 C ATOM 1363 C LYS A 94 -25.051 72.955 -1.825 1.00 0.00 C ATOM 1364 O LYS A 94 -24.875 73.716 -2.756 1.00 0.00 O ATOM 1365 CB LYS A 94 -27.242 73.556 -0.737 1.00 0.00 C ATOM 1366 CG LYS A 94 -27.524 74.289 -2.050 1.00 0.00 C ATOM 1367 CD LYS A 94 -28.960 74.818 -2.038 1.00 0.00 C ATOM 1368 CE LYS A 94 -29.144 75.829 -3.171 1.00 0.00 C ATOM 1369 NZ LYS A 94 -29.202 75.007 -4.412 1.00 0.00 N ATOM 0 H LYS A 94 -25.542 75.528 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 94 -25.495 72.696 0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -27.704 72.569 -0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -27.684 74.101 0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -26.822 75.113 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -27.380 73.615 -2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -29.663 73.993 -2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -29.177 75.288 -1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -30.057 76.409 -3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -28.317 76.539 -3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -28.409 75.262 -5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -29.138 73.999 -4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -30.100 75.186 -4.905 1.00 0.00 H new ATOM 1383 N LEU A 95 -24.652 71.715 -1.884 1.00 0.00 N ATOM 1384 CA LEU A 95 -23.967 71.211 -3.111 1.00 0.00 C ATOM 1385 C LEU A 95 -24.923 71.181 -4.302 1.00 0.00 C ATOM 1386 O LEU A 95 -25.867 70.417 -4.340 1.00 0.00 O ATOM 1387 CB LEU A 95 -23.511 69.792 -2.766 1.00 0.00 C ATOM 1388 CG LEU A 95 -22.374 69.853 -1.750 1.00 0.00 C ATOM 1389 CD1 LEU A 95 -22.714 68.963 -0.553 1.00 0.00 C ATOM 1390 CD2 LEU A 95 -21.076 69.367 -2.395 1.00 0.00 C ATOM 0 H LEU A 95 -24.769 71.029 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 95 -23.135 71.856 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -24.345 69.220 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -23.180 69.276 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 95 -22.244 70.882 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -21.903 69.005 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -23.636 69.314 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -22.846 67.935 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -20.268 69.413 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -21.201 68.339 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -20.833 70.003 -3.246 1.00 0.00 H new ATOM 1402 N SER A 96 -24.662 71.992 -5.287 1.00 0.00 N ATOM 1403 CA SER A 96 -25.523 72.004 -6.495 1.00 0.00 C ATOM 1404 C SER A 96 -24.943 71.040 -7.529 1.00 0.00 C ATOM 1405 O SER A 96 -24.022 71.373 -8.249 1.00 0.00 O ATOM 1406 CB SER A 96 -25.471 73.444 -7.009 1.00 0.00 C ATOM 1407 OG SER A 96 -25.155 73.440 -8.396 1.00 0.00 O ATOM 0 H SER A 96 -23.883 72.651 -5.305 1.00 0.00 H new ATOM 0 HA SER A 96 -26.547 71.692 -6.291 1.00 0.00 H new ATOM 0 HB2 SER A 96 -26.430 73.935 -6.845 1.00 0.00 H new ATOM 0 HB3 SER A 96 -24.723 74.012 -6.456 1.00 0.00 H new ATOM 0 HG SER A 96 -24.394 72.844 -8.556 1.00 0.00 H new ATOM 1413 N GLY A 97 -25.459 69.845 -7.603 1.00 0.00 N ATOM 1414 CA GLY A 97 -24.921 68.870 -8.591 1.00 0.00 C ATOM 1415 C GLY A 97 -24.854 67.474 -7.973 1.00 0.00 C ATOM 1416 O GLY A 97 -25.243 66.499 -8.585 1.00 0.00 O ATOM 0 H GLY A 97 -26.226 69.503 -7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -25.555 68.853 -9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -23.928 69.180 -8.915 1.00 0.00 H new ATOM 1420 N SER A 98 -24.356 67.361 -6.772 1.00 0.00 N ATOM 1421 CA SER A 98 -24.263 66.011 -6.140 1.00 0.00 C ATOM 1422 C SER A 98 -23.717 66.091 -4.714 1.00 0.00 C ATOM 1423 O SER A 98 -23.528 67.153 -4.154 1.00 0.00 O ATOM 1424 CB SER A 98 -23.289 65.238 -7.027 1.00 0.00 C ATOM 1425 OG SER A 98 -23.332 63.859 -6.683 1.00 0.00 O ATOM 0 H SER A 98 -24.012 68.136 -6.204 1.00 0.00 H new ATOM 0 HA SER A 98 -25.242 65.538 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 98 -23.551 65.371 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 98 -22.278 65.625 -6.900 1.00 0.00 H new ATOM 0 HG SER A 98 -22.419 63.523 -6.562 1.00 0.00 H new ATOM 1431 N SER A 99 -23.467 64.953 -4.133 1.00 0.00 N ATOM 1432 CA SER A 99 -22.926 64.902 -2.741 1.00 0.00 C ATOM 1433 C SER A 99 -21.950 63.726 -2.587 1.00 0.00 C ATOM 1434 O SER A 99 -21.051 63.761 -1.776 1.00 0.00 O ATOM 1435 CB SER A 99 -24.148 64.709 -1.845 1.00 0.00 C ATOM 1436 OG SER A 99 -25.101 63.897 -2.519 1.00 0.00 O ATOM 0 H SER A 99 -23.615 64.042 -4.567 1.00 0.00 H new ATOM 0 HA SER A 99 -22.372 65.805 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 99 -23.854 64.241 -0.905 1.00 0.00 H new ATOM 0 HB3 SER A 99 -24.587 65.675 -1.596 1.00 0.00 H new ATOM 0 HG SER A 99 -25.886 63.770 -1.946 1.00 0.00 H new ATOM 1442 N SER A 100 -22.114 62.686 -3.362 1.00 0.00 N ATOM 1443 CA SER A 100 -21.187 61.521 -3.258 1.00 0.00 C ATOM 1444 C SER A 100 -20.721 61.105 -4.658 1.00 0.00 C ATOM 1445 O SER A 100 -21.405 60.390 -5.363 1.00 0.00 O ATOM 1446 CB SER A 100 -22.014 60.410 -2.613 1.00 0.00 C ATOM 1447 OG SER A 100 -22.926 59.888 -3.570 1.00 0.00 O ATOM 0 H SER A 100 -22.850 62.593 -4.062 1.00 0.00 H new ATOM 0 HA SER A 100 -20.294 61.748 -2.675 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.359 59.619 -2.248 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.556 60.798 -1.751 1.00 0.00 H new ATOM 0 HG SER A 100 -22.428 59.439 -4.285 1.00 0.00 H new ATOM 1453 N SER A 101 -19.566 61.556 -5.069 1.00 0.00 N ATOM 1454 CA SER A 101 -19.065 61.196 -6.429 1.00 0.00 C ATOM 1455 C SER A 101 -17.987 60.122 -6.349 1.00 0.00 C ATOM 1456 O SER A 101 -17.411 59.876 -5.309 1.00 0.00 O ATOM 1457 CB SER A 101 -18.486 62.491 -6.995 1.00 0.00 C ATOM 1458 OG SER A 101 -19.479 63.507 -6.956 1.00 0.00 O ATOM 0 H SER A 101 -18.948 62.157 -4.524 1.00 0.00 H new ATOM 0 HA SER A 101 -19.859 60.790 -7.056 1.00 0.00 H new ATOM 0 HB2 SER A 101 -17.614 62.796 -6.416 1.00 0.00 H new ATOM 0 HB3 SER A 101 -18.149 62.335 -8.020 1.00 0.00 H new ATOM 0 HG SER A 101 -19.109 64.340 -7.317 1.00 0.00 H new ATOM 1464 N THR A 102 -17.720 59.478 -7.451 1.00 0.00 N ATOM 1465 CA THR A 102 -16.688 58.409 -7.467 1.00 0.00 C ATOM 1466 C THR A 102 -15.810 58.543 -8.712 1.00 0.00 C ATOM 1467 O THR A 102 -16.297 58.782 -9.799 1.00 0.00 O ATOM 1468 CB THR A 102 -17.486 57.108 -7.510 1.00 0.00 C ATOM 1469 OG1 THR A 102 -18.700 57.272 -6.790 1.00 0.00 O ATOM 1470 CG2 THR A 102 -16.663 55.995 -6.879 1.00 0.00 C ATOM 0 H THR A 102 -18.177 59.649 -8.347 1.00 0.00 H new ATOM 0 HA THR A 102 -16.022 58.456 -6.606 1.00 0.00 H new ATOM 0 HB THR A 102 -17.714 56.851 -8.544 1.00 0.00 H new ATOM 0 HG1 THR A 102 -19.213 56.437 -6.819 1.00 0.00 H new ATOM 0 HG21 THR A 102 -17.228 55.064 -6.907 1.00 0.00 H new ATOM 0 HG22 THR A 102 -15.733 55.872 -7.433 1.00 0.00 H new ATOM 0 HG23 THR A 102 -16.437 56.251 -5.844 1.00 0.00 H new ATOM 1478 N CYS A 103 -14.520 58.391 -8.570 1.00 0.00 N ATOM 1479 CA CYS A 103 -13.636 58.516 -9.762 1.00 0.00 C ATOM 1480 C CYS A 103 -13.707 57.249 -10.611 1.00 0.00 C ATOM 1481 O CYS A 103 -13.037 56.274 -10.348 1.00 0.00 O ATOM 1482 CB CYS A 103 -12.221 58.708 -9.228 1.00 0.00 C ATOM 1483 SG CYS A 103 -11.126 59.013 -10.634 1.00 0.00 S ATOM 0 H CYS A 103 -14.046 58.188 -7.690 1.00 0.00 H new ATOM 0 HA CYS A 103 -13.941 59.351 -10.392 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -12.188 59.545 -8.531 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.898 57.823 -8.679 1.00 0.00 H new ATOM 1488 N SER A 104 -14.516 57.265 -11.627 1.00 0.00 N ATOM 1489 CA SER A 104 -14.647 56.069 -12.512 1.00 0.00 C ATOM 1490 C SER A 104 -13.348 55.814 -13.272 1.00 0.00 C ATOM 1491 O SER A 104 -12.360 56.490 -13.064 1.00 0.00 O ATOM 1492 CB SER A 104 -15.774 56.433 -13.478 1.00 0.00 C ATOM 1493 OG SER A 104 -16.886 55.575 -13.252 1.00 0.00 O ATOM 0 H SER A 104 -15.099 58.060 -11.889 1.00 0.00 H new ATOM 0 HA SER A 104 -14.857 55.159 -11.951 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.068 57.473 -13.336 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.430 56.337 -14.508 1.00 0.00 H new ATOM 0 HG SER A 104 -17.610 55.808 -13.870 1.00 0.00 H new ATOM 1499 N PRO A 105 -13.392 54.829 -14.131 1.00 0.00 N ATOM 1500 CA PRO A 105 -12.205 54.469 -14.924 1.00 0.00 C ATOM 1501 C PRO A 105 -12.015 55.448 -16.078 1.00 0.00 C ATOM 1502 O PRO A 105 -12.900 55.666 -16.881 1.00 0.00 O ATOM 1503 CB PRO A 105 -12.508 53.064 -15.418 1.00 0.00 C ATOM 1504 CG PRO A 105 -14.000 52.947 -15.409 1.00 0.00 C ATOM 1505 CD PRO A 105 -14.541 53.971 -14.439 1.00 0.00 C ATOM 0 HA PRO A 105 -11.278 54.509 -14.352 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -12.109 52.906 -16.420 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -12.052 52.314 -14.771 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -14.402 53.118 -16.408 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -14.302 51.943 -15.111 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.357 54.544 -14.880 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -14.934 53.497 -13.540 1.00 0.00 H new ATOM 1513 N GLY A 106 -10.864 56.050 -16.150 1.00 0.00 N ATOM 1514 CA GLY A 106 -10.598 57.032 -17.230 1.00 0.00 C ATOM 1515 C GLY A 106 -10.050 58.320 -16.608 1.00 0.00 C ATOM 1516 O GLY A 106 -9.631 59.223 -17.303 1.00 0.00 O ATOM 0 H GLY A 106 -10.091 55.902 -15.501 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.881 56.623 -17.942 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.514 57.241 -17.783 1.00 0.00 H new ATOM 1520 N ASN A 107 -10.052 58.397 -15.296 1.00 0.00 N ATOM 1521 CA ASN A 107 -9.532 59.608 -14.580 1.00 0.00 C ATOM 1522 C ASN A 107 -10.566 60.733 -14.586 1.00 0.00 C ATOM 1523 O ASN A 107 -10.659 61.503 -15.522 1.00 0.00 O ATOM 1524 CB ASN A 107 -8.261 60.038 -15.321 1.00 0.00 C ATOM 1525 CG ASN A 107 -7.441 58.803 -15.702 1.00 0.00 C ATOM 1526 OD1 ASN A 107 -7.486 57.797 -15.022 1.00 0.00 O ATOM 1527 ND2 ASN A 107 -6.687 58.838 -16.767 1.00 0.00 N ATOM 0 H ASN A 107 -10.398 57.660 -14.682 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.322 59.381 -13.535 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.524 60.602 -16.216 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.667 60.700 -14.690 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.135 58.021 -17.028 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.649 59.683 -17.338 1.00 0.00 H new ATOM 1534 N THR A 108 -11.337 60.839 -13.536 1.00 0.00 N ATOM 1535 CA THR A 108 -12.361 61.919 -13.464 1.00 0.00 C ATOM 1536 C THR A 108 -13.175 61.820 -12.174 1.00 0.00 C ATOM 1537 O THR A 108 -12.768 61.204 -11.208 1.00 0.00 O ATOM 1538 CB THR A 108 -13.266 61.701 -14.671 1.00 0.00 C ATOM 1539 OG1 THR A 108 -13.014 60.424 -15.241 1.00 0.00 O ATOM 1540 CG2 THR A 108 -12.981 62.789 -15.694 1.00 0.00 C ATOM 0 H THR A 108 -11.301 60.222 -12.724 1.00 0.00 H new ATOM 0 HA THR A 108 -11.897 62.905 -13.468 1.00 0.00 H new ATOM 0 HB THR A 108 -14.311 61.745 -14.363 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.600 60.290 -16.015 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.621 62.647 -16.565 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.181 63.765 -15.252 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.936 62.736 -16.000 1.00 0.00 H new ATOM 1548 N TRP A 109 -14.324 62.435 -12.157 1.00 0.00 N ATOM 1549 CA TRP A 109 -15.182 62.400 -10.943 1.00 0.00 C ATOM 1550 C TRP A 109 -16.658 62.486 -11.342 1.00 0.00 C ATOM 1551 O TRP A 109 -17.123 63.497 -11.831 1.00 0.00 O ATOM 1552 CB TRP A 109 -14.743 63.619 -10.136 1.00 0.00 C ATOM 1553 CG TRP A 109 -13.556 63.235 -9.312 1.00 0.00 C ATOM 1554 CD1 TRP A 109 -12.330 63.809 -9.380 1.00 0.00 C ATOM 1555 CD2 TRP A 109 -13.461 62.186 -8.308 1.00 0.00 C ATOM 1556 NE1 TRP A 109 -11.496 63.182 -8.470 1.00 0.00 N ATOM 1557 CE2 TRP A 109 -12.148 62.176 -7.785 1.00 0.00 C ATOM 1558 CE3 TRP A 109 -14.384 61.254 -7.803 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 -11.764 61.274 -6.792 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 -14.001 60.345 -6.806 1.00 0.00 C ATOM 1561 CH2 TRP A 109 -12.694 60.353 -6.301 1.00 0.00 C ATOM 0 H TRP A 109 -14.708 62.965 -12.940 1.00 0.00 H new ATOM 0 HA TRP A 109 -15.078 61.480 -10.368 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -14.492 64.445 -10.802 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -15.555 63.962 -9.495 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -12.050 64.621 -10.035 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -10.518 63.433 -8.323 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -15.394 61.238 -8.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -10.756 61.287 -6.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -14.719 59.634 -6.425 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -12.406 59.649 -5.534 1.00 0.00 H new ATOM 1572 N LYS A 110 -17.392 61.421 -11.152 1.00 0.00 N ATOM 1573 CA LYS A 110 -18.837 61.420 -11.528 1.00 0.00 C ATOM 1574 C LYS A 110 -19.713 61.344 -10.266 1.00 0.00 C ATOM 1575 O LYS A 110 -19.523 60.466 -9.448 1.00 0.00 O ATOM 1576 CB LYS A 110 -19.013 60.158 -12.374 1.00 0.00 C ATOM 1577 CG LYS A 110 -18.120 60.248 -13.614 1.00 0.00 C ATOM 1578 CD LYS A 110 -18.860 59.676 -14.824 1.00 0.00 C ATOM 1579 CE LYS A 110 -17.856 58.999 -15.762 1.00 0.00 C ATOM 1580 NZ LYS A 110 -18.219 59.476 -17.126 1.00 0.00 N ATOM 0 H LYS A 110 -17.051 60.548 -10.751 1.00 0.00 H new ATOM 0 HA LYS A 110 -19.130 62.323 -12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -18.754 59.276 -11.789 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -20.056 60.048 -12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.845 61.286 -13.801 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.194 59.697 -13.448 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -19.611 58.957 -14.498 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -19.387 60.471 -15.351 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.832 59.273 -15.508 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.922 57.913 -15.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.574 59.054 -17.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -19.196 59.195 -17.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.140 60.512 -17.164 1.00 0.00 H new ATOM 1594 N PRO A 111 -20.646 62.262 -10.135 1.00 0.00 N ATOM 1595 CA PRO A 111 -20.856 63.326 -11.154 1.00 0.00 C ATOM 1596 C PRO A 111 -19.672 64.293 -11.172 1.00 0.00 C ATOM 1597 O PRO A 111 -18.769 64.192 -10.367 1.00 0.00 O ATOM 1598 CB PRO A 111 -22.133 64.023 -10.691 1.00 0.00 C ATOM 1599 CG PRO A 111 -22.208 63.745 -9.225 1.00 0.00 C ATOM 1600 CD PRO A 111 -21.585 62.392 -9.014 1.00 0.00 C ATOM 0 HA PRO A 111 -20.938 62.937 -12.169 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -22.093 65.094 -10.889 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -23.008 63.634 -11.213 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -21.677 64.509 -8.658 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -23.242 63.754 -8.881 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -21.073 62.333 -8.054 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -22.334 61.600 -9.025 1.00 0.00 H new ATOM 1608 N GLU A 112 -19.662 65.212 -12.100 1.00 0.00 N ATOM 1609 CA GLU A 112 -18.525 66.177 -12.194 1.00 0.00 C ATOM 1610 C GLU A 112 -18.445 67.063 -10.950 1.00 0.00 C ATOM 1611 O GLU A 112 -18.510 68.273 -11.029 1.00 0.00 O ATOM 1612 CB GLU A 112 -18.817 67.015 -13.439 1.00 0.00 C ATOM 1613 CG GLU A 112 -17.857 66.611 -14.560 1.00 0.00 C ATOM 1614 CD GLU A 112 -18.329 67.220 -15.882 1.00 0.00 C ATOM 1615 OE1 GLU A 112 -18.463 68.431 -15.939 1.00 0.00 O ATOM 1616 OE2 GLU A 112 -18.548 66.464 -16.815 1.00 0.00 O ATOM 0 H GLU A 112 -20.394 65.337 -12.800 1.00 0.00 H new ATOM 0 HA GLU A 112 -17.566 65.663 -12.260 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -19.849 66.866 -13.757 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -18.703 68.075 -13.212 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -16.848 66.953 -14.330 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -17.814 65.525 -14.643 1.00 0.00 H new ATOM 1623 N LEU A 113 -18.279 66.457 -9.811 1.00 0.00 N ATOM 1624 CA LEU A 113 -18.165 67.230 -8.540 1.00 0.00 C ATOM 1625 C LEU A 113 -19.374 68.142 -8.332 1.00 0.00 C ATOM 1626 O LEU A 113 -19.921 68.691 -9.266 1.00 0.00 O ATOM 1627 CB LEU A 113 -16.876 68.045 -8.690 1.00 0.00 C ATOM 1628 CG LEU A 113 -15.644 67.229 -8.236 1.00 0.00 C ATOM 1629 CD1 LEU A 113 -15.984 65.738 -8.075 1.00 0.00 C ATOM 1630 CD2 LEU A 113 -14.537 67.378 -9.282 1.00 0.00 C ATOM 0 H LEU A 113 -18.216 65.445 -9.702 1.00 0.00 H new ATOM 0 HA LEU A 113 -18.137 66.576 -7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -16.752 68.347 -9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.949 68.958 -8.099 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.317 67.611 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -15.095 65.195 -7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -16.769 65.622 -7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -16.330 65.339 -9.028 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -13.663 66.806 -8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -14.892 67.005 -10.243 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -14.267 68.430 -9.378 1.00 0.00 H new ATOM 1642 N PRO A 114 -19.750 68.258 -7.091 1.00 0.00 N ATOM 1643 CA PRO A 114 -20.903 69.095 -6.713 1.00 0.00 C ATOM 1644 C PRO A 114 -20.491 70.563 -6.556 1.00 0.00 C ATOM 1645 O PRO A 114 -19.321 70.887 -6.505 1.00 0.00 O ATOM 1646 CB PRO A 114 -21.330 68.504 -5.377 1.00 0.00 C ATOM 1647 CG PRO A 114 -20.118 67.833 -4.808 1.00 0.00 C ATOM 1648 CD PRO A 114 -19.133 67.616 -5.927 1.00 0.00 C ATOM 0 HA PRO A 114 -21.697 69.093 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -21.695 69.282 -4.706 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -22.143 67.791 -5.510 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -19.675 68.448 -4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -20.389 66.882 -4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -18.165 68.061 -5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -18.962 66.554 -6.104 1.00 0.00 H new ATOM 1656 N LYS A 115 -21.445 71.454 -6.483 1.00 0.00 N ATOM 1657 CA LYS A 115 -21.106 72.900 -6.331 1.00 0.00 C ATOM 1658 C LYS A 115 -21.743 73.476 -5.064 1.00 0.00 C ATOM 1659 O LYS A 115 -22.937 73.657 -4.993 1.00 0.00 O ATOM 1660 CB LYS A 115 -21.689 73.573 -7.574 1.00 0.00 C ATOM 1661 CG LYS A 115 -21.597 75.092 -7.421 1.00 0.00 C ATOM 1662 CD LYS A 115 -21.207 75.719 -8.762 1.00 0.00 C ATOM 1663 CE LYS A 115 -19.761 75.344 -9.103 1.00 0.00 C ATOM 1664 NZ LYS A 115 -19.711 75.289 -10.594 1.00 0.00 N ATOM 0 H LYS A 115 -22.442 71.244 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 115 -20.032 73.059 -6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -21.146 73.253 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -22.728 73.273 -7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -22.553 75.493 -7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -20.859 75.347 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -21.878 75.371 -9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -21.310 76.803 -8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.060 76.082 -8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.489 74.384 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -18.749 75.037 -10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -20.382 74.573 -10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.966 76.218 -10.984 1.00 0.00 H new ATOM 1678 N CYS A 116 -20.955 73.778 -4.067 1.00 0.00 N ATOM 1679 CA CYS A 116 -21.528 74.358 -2.817 1.00 0.00 C ATOM 1680 C CYS A 116 -22.118 75.733 -3.124 1.00 0.00 C ATOM 1681 O CYS A 116 -21.409 76.701 -3.312 1.00 0.00 O ATOM 1682 CB CYS A 116 -20.339 74.457 -1.856 1.00 0.00 C ATOM 1683 SG CYS A 116 -20.903 74.386 -0.133 1.00 0.00 S ATOM 0 H CYS A 116 -19.943 73.649 -4.063 1.00 0.00 H new ATOM 0 HA CYS A 116 -22.332 73.759 -2.390 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -19.640 73.644 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -19.800 75.389 -2.030 1.00 0.00 H new ATOM 1688 N VAL A 117 -23.417 75.813 -3.193 1.00 0.00 N ATOM 1689 CA VAL A 117 -24.072 77.114 -3.508 1.00 0.00 C ATOM 1690 C VAL A 117 -24.973 77.553 -2.381 1.00 0.00 C ATOM 1691 O VAL A 117 -25.051 76.926 -1.349 1.00 0.00 O ATOM 1692 CB VAL A 117 -24.909 76.874 -4.758 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -24.026 77.090 -5.963 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -25.460 75.445 -4.778 1.00 0.00 C ATOM 0 H VAL A 117 -24.056 75.032 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 117 -23.325 77.895 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 117 -25.753 77.563 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -24.604 76.924 -6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -23.645 78.111 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -23.190 76.391 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -26.054 75.297 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -24.632 74.736 -4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -26.086 75.284 -3.900 1.00 0.00 H new ATOM 1704 N ARG A 118 -25.658 78.633 -2.577 1.00 0.00 N ATOM 1705 CA ARG A 118 -26.554 79.115 -1.511 1.00 0.00 C ATOM 1706 C ARG A 118 -27.924 78.439 -1.620 1.00 0.00 C ATOM 1707 O ARG A 118 -28.146 77.478 -0.902 1.00 0.00 O ATOM 1708 CB ARG A 118 -26.674 80.624 -1.727 1.00 0.00 C ATOM 1709 CG ARG A 118 -25.619 81.348 -0.888 1.00 0.00 C ATOM 1710 CD ARG A 118 -26.219 82.633 -0.311 1.00 0.00 C ATOM 1711 NE ARG A 118 -27.048 82.185 0.842 1.00 0.00 N ATOM 1712 CZ ARG A 118 -26.502 82.028 2.016 1.00 0.00 C ATOM 1713 NH1 ARG A 118 -25.914 83.034 2.603 1.00 0.00 N ATOM 1714 NH2 ARG A 118 -26.546 80.864 2.605 1.00 0.00 N ATOM 1715 OXT ARG A 118 -28.726 78.894 -2.419 1.00 0.00 O ATOM 0 H ARG A 118 -25.636 79.199 -3.425 1.00 0.00 H new ATOM 0 HA ARG A 118 -26.167 78.883 -0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -26.540 80.862 -2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -27.671 80.963 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -25.274 80.701 -0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -24.750 81.584 -1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -25.439 83.324 0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -26.823 83.155 -1.053 1.00 0.00 H new ATOM 0 HE ARG A 118 -28.043 82.001 0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -25.881 83.944 2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -25.487 82.910 3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -27.007 80.078 2.147 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -26.119 80.741 3.523 1.00 0.00 H new