USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 925 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 82 SER OG : rot 150:sc= 0 USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 40 HIS : no HD1:sc= -6.7! C(o=-15!,f=-20!) USER MOD Set 2.2: A 46 GLN : amide:sc= -0.0711 K(o=-15,f=-16) USER MOD Set 2.3: A 60 MET CE :methyl -142:sc= -8.28! (180deg=-6.01!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0422 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.289 K(o=-0.29,f=-1.9!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.299 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.034) USER MOD Single : A 21 ASN : amide:sc= -2.54 K(o=-2.5,f=-3.2!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 44:sc= 0.258 USER MOD Single : A 25 SER OG : rot 160:sc=-0.00654 USER MOD Single : A 26 GLN : amide:sc= -0.0704 K(o=-0.07,f=-1.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -170:sc= -0.0123 USER MOD Single : A 54 SER OG : rot -66:sc= 1 USER MOD Single : A 55 SER OG : rot 180:sc= -0.388 USER MOD Single : A 64 ASN : amide:sc= -0.692 K(o=-0.69,f=-1.9!) USER MOD Single : A 70 MET CE :methyl -130:sc= -1.65 (180deg=-4.36!) USER MOD Single : A 73 LYS NZ :NH3+ 141:sc= -0.279 (180deg=-2.25!) USER MOD Single : A 75 THR OG1 : rot -114:sc= -0.906! USER MOD Single : A 76 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-3.7!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.8!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0497 USER MOD Single : A 83 SER OG : rot 72:sc= 0.028 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc=-0.00693 USER MOD Single : A 96 ASN : amide:sc= -3.35! K(o=-3.3!,f=-0.96) USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= -0.309 (180deg=-0.48) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.175 K(o=-0.17,f=-2.2!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.647 -17.239 14.882 1.00 0.00 N ATOM 2 CA GLY A 1 5.877 -16.017 15.037 1.00 0.00 C ATOM 3 C GLY A 1 6.791 -14.790 15.046 1.00 0.00 C ATOM 4 O GLY A 1 7.652 -14.658 15.915 1.00 0.00 O ATOM 0 H1 GLY A 1 6.004 -18.056 14.879 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.171 -17.207 13.984 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.318 -17.329 15.672 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.156 -15.932 14.224 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.307 -16.057 15.965 1.00 0.00 H new ATOM 8 N SER A 2 6.574 -13.923 14.068 1.00 0.00 N ATOM 9 CA SER A 2 7.367 -12.711 13.952 1.00 0.00 C ATOM 10 C SER A 2 6.865 -11.867 12.779 1.00 0.00 C ATOM 11 O SER A 2 6.440 -12.406 11.759 1.00 0.00 O ATOM 12 CB SER A 2 8.851 -13.039 13.773 1.00 0.00 C ATOM 13 OG SER A 2 9.650 -12.485 14.815 1.00 0.00 O ATOM 0 H SER A 2 5.860 -14.036 13.348 1.00 0.00 H new ATOM 0 HA SER A 2 7.257 -12.141 14.875 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.983 -14.121 13.751 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.193 -12.657 12.811 1.00 0.00 H new ATOM 0 HG SER A 2 10.590 -12.718 14.665 1.00 0.00 H new ATOM 19 N SER A 3 6.931 -10.556 12.963 1.00 0.00 N ATOM 20 CA SER A 3 6.488 -9.633 11.933 1.00 0.00 C ATOM 21 C SER A 3 7.303 -8.340 12.004 1.00 0.00 C ATOM 22 O SER A 3 7.584 -7.838 13.092 1.00 0.00 O ATOM 23 CB SER A 3 4.995 -9.327 12.072 1.00 0.00 C ATOM 24 OG SER A 3 4.213 -10.515 12.152 1.00 0.00 O ATOM 0 H SER A 3 7.285 -10.112 13.810 1.00 0.00 H new ATOM 0 HA SER A 3 6.646 -10.103 10.962 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.830 -8.723 12.964 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.666 -8.733 11.220 1.00 0.00 H new ATOM 0 HG SER A 3 3.266 -10.278 12.241 1.00 0.00 H new ATOM 30 N GLY A 4 7.661 -7.838 10.831 1.00 0.00 N ATOM 31 CA GLY A 4 8.438 -6.613 10.747 1.00 0.00 C ATOM 32 C GLY A 4 9.924 -6.919 10.548 1.00 0.00 C ATOM 33 O GLY A 4 10.627 -7.245 11.503 1.00 0.00 O ATOM 0 H GLY A 4 7.427 -8.257 9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.075 -6.004 9.920 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.302 -6.029 11.657 1.00 0.00 H new ATOM 37 N SER A 5 10.357 -6.803 9.301 1.00 0.00 N ATOM 38 CA SER A 5 11.746 -7.063 8.965 1.00 0.00 C ATOM 39 C SER A 5 12.427 -5.769 8.515 1.00 0.00 C ATOM 40 O SER A 5 13.416 -5.344 9.111 1.00 0.00 O ATOM 41 CB SER A 5 11.858 -8.129 7.873 1.00 0.00 C ATOM 42 OG SER A 5 12.605 -9.263 8.308 1.00 0.00 O ATOM 0 H SER A 5 9.770 -6.533 8.512 1.00 0.00 H new ATOM 0 HA SER A 5 12.249 -7.440 9.856 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.859 -8.446 7.572 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.334 -7.697 6.992 1.00 0.00 H new ATOM 0 HG SER A 5 12.652 -9.921 7.583 1.00 0.00 H new ATOM 48 N SER A 6 11.871 -5.179 7.467 1.00 0.00 N ATOM 49 CA SER A 6 12.412 -3.942 6.931 1.00 0.00 C ATOM 50 C SER A 6 13.817 -4.184 6.373 1.00 0.00 C ATOM 51 O SER A 6 14.478 -5.152 6.744 1.00 0.00 O ATOM 52 CB SER A 6 12.446 -2.847 7.998 1.00 0.00 C ATOM 53 OG SER A 6 12.187 -1.558 7.449 1.00 0.00 O ATOM 0 H SER A 6 11.051 -5.535 6.975 1.00 0.00 H new ATOM 0 HA SER A 6 11.760 -3.605 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.707 -3.068 8.768 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.422 -2.845 8.484 1.00 0.00 H new ATOM 0 HG SER A 6 12.216 -0.887 8.162 1.00 0.00 H new ATOM 59 N GLY A 7 14.231 -3.286 5.491 1.00 0.00 N ATOM 60 CA GLY A 7 15.545 -3.389 4.879 1.00 0.00 C ATOM 61 C GLY A 7 15.472 -3.121 3.375 1.00 0.00 C ATOM 62 O GLY A 7 15.439 -1.968 2.947 1.00 0.00 O ATOM 0 H GLY A 7 13.680 -2.484 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.225 -2.676 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.955 -4.383 5.055 1.00 0.00 H new ATOM 66 N GLN A 8 15.447 -4.205 2.613 1.00 0.00 N ATOM 67 CA GLN A 8 15.378 -4.102 1.166 1.00 0.00 C ATOM 68 C GLN A 8 13.927 -3.921 0.715 1.00 0.00 C ATOM 69 O GLN A 8 13.588 -2.917 0.090 1.00 0.00 O ATOM 70 CB GLN A 8 16.012 -5.323 0.498 1.00 0.00 C ATOM 71 CG GLN A 8 16.978 -4.903 -0.611 1.00 0.00 C ATOM 72 CD GLN A 8 16.654 -5.622 -1.923 1.00 0.00 C ATOM 73 OE1 GLN A 8 15.543 -6.066 -2.159 1.00 0.00 O ATOM 74 NE2 GLN A 8 17.684 -5.710 -2.760 1.00 0.00 N ATOM 0 H GLN A 8 15.473 -5.160 2.971 1.00 0.00 H new ATOM 0 HA GLN A 8 15.946 -3.225 0.857 1.00 0.00 H new ATOM 0 HB2 GLN A 8 16.544 -5.914 1.243 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.232 -5.961 0.083 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.920 -3.825 -0.759 1.00 0.00 H new ATOM 0 HG3 GLN A 8 18.001 -5.129 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 8 18.588 -5.316 -2.499 1.00 0.00 H new ATOM 0 HE22 GLN A 8 17.570 -6.171 -3.663 1.00 0.00 H new ATOM 83 N LYS A 9 13.110 -4.909 1.049 1.00 0.00 N ATOM 84 CA LYS A 9 11.704 -4.872 0.687 1.00 0.00 C ATOM 85 C LYS A 9 11.030 -3.695 1.395 1.00 0.00 C ATOM 86 O LYS A 9 10.966 -3.658 2.623 1.00 0.00 O ATOM 87 CB LYS A 9 11.041 -6.221 0.971 1.00 0.00 C ATOM 88 CG LYS A 9 10.401 -6.795 -0.294 1.00 0.00 C ATOM 89 CD LYS A 9 9.347 -7.848 0.054 1.00 0.00 C ATOM 90 CE LYS A 9 8.265 -7.919 -1.025 1.00 0.00 C ATOM 91 NZ LYS A 9 7.079 -8.649 -0.523 1.00 0.00 N ATOM 0 H LYS A 9 13.395 -5.740 1.567 1.00 0.00 H new ATOM 0 HA LYS A 9 11.592 -4.707 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.783 -6.920 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.282 -6.102 1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.941 -5.992 -0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.170 -7.240 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.823 -8.823 0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.892 -7.608 1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.978 -6.912 -1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.658 -8.418 -1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.354 -8.688 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.354 -9.616 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.695 -8.157 0.308 1.00 0.00 H new ATOM 105 N ASN A 10 10.545 -2.760 0.590 1.00 0.00 N ATOM 106 CA ASN A 10 9.878 -1.585 1.124 1.00 0.00 C ATOM 107 C ASN A 10 8.879 -2.015 2.200 1.00 0.00 C ATOM 108 O ASN A 10 8.275 -3.082 2.100 1.00 0.00 O ATOM 109 CB ASN A 10 9.106 -0.845 0.030 1.00 0.00 C ATOM 110 CG ASN A 10 10.029 0.084 -0.761 1.00 0.00 C ATOM 111 OD1 ASN A 10 10.405 1.156 -0.315 1.00 0.00 O ATOM 112 ND2 ASN A 10 10.374 -0.386 -1.957 1.00 0.00 N ATOM 0 H ASN A 10 10.601 -2.793 -0.428 1.00 0.00 H new ATOM 0 HA ASN A 10 10.640 -0.924 1.538 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.645 -1.566 -0.645 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.299 -0.266 0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.989 0.159 -2.561 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.024 -1.292 -2.270 1.00 0.00 H new ATOM 119 N PRO A 11 8.732 -1.140 3.231 1.00 0.00 N ATOM 120 CA PRO A 11 7.817 -1.419 4.324 1.00 0.00 C ATOM 121 C PRO A 11 6.365 -1.206 3.891 1.00 0.00 C ATOM 122 O PRO A 11 5.494 -2.015 4.208 1.00 0.00 O ATOM 123 CB PRO A 11 8.245 -0.485 5.444 1.00 0.00 C ATOM 124 CG PRO A 11 9.079 0.602 4.784 1.00 0.00 C ATOM 125 CD PRO A 11 9.431 0.133 3.382 1.00 0.00 C ATOM 0 HA PRO A 11 7.858 -2.458 4.652 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.379 -0.059 5.950 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.824 -1.018 6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.523 1.539 4.745 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.984 0.792 5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.108 0.854 2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.508 0.010 3.264 1.00 0.00 H new ATOM 133 N ASP A 12 6.149 -0.113 3.173 1.00 0.00 N ATOM 134 CA ASP A 12 4.817 0.216 2.693 1.00 0.00 C ATOM 135 C ASP A 12 4.191 -1.022 2.049 1.00 0.00 C ATOM 136 O ASP A 12 4.895 -1.972 1.707 1.00 0.00 O ATOM 137 CB ASP A 12 4.870 1.322 1.638 1.00 0.00 C ATOM 138 CG ASP A 12 5.349 2.682 2.150 1.00 0.00 C ATOM 139 OD1 ASP A 12 4.478 3.457 2.602 1.00 0.00 O ATOM 140 OD2 ASP A 12 6.574 2.917 2.078 1.00 0.00 O ATOM 0 H ASP A 12 6.874 0.556 2.912 1.00 0.00 H new ATOM 0 HA ASP A 12 4.227 0.557 3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.529 1.002 0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.875 1.442 1.209 1.00 0.00 H new ATOM 145 N SER A 13 2.875 -0.973 1.903 1.00 0.00 N ATOM 146 CA SER A 13 2.147 -2.079 1.306 1.00 0.00 C ATOM 147 C SER A 13 2.337 -3.345 2.145 1.00 0.00 C ATOM 148 O SER A 13 3.438 -3.889 2.213 1.00 0.00 O ATOM 149 CB SER A 13 2.600 -2.324 -0.134 1.00 0.00 C ATOM 150 OG SER A 13 2.184 -3.599 -0.616 1.00 0.00 O ATOM 0 H SER A 13 2.294 -0.184 2.188 1.00 0.00 H new ATOM 0 HA SER A 13 1.089 -1.820 1.286 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.196 -1.543 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.686 -2.253 -0.189 1.00 0.00 H new ATOM 0 HG SER A 13 2.492 -3.716 -1.539 1.00 0.00 H new ATOM 156 N TYR A 14 1.247 -3.776 2.763 1.00 0.00 N ATOM 157 CA TYR A 14 1.280 -4.967 3.594 1.00 0.00 C ATOM 158 C TYR A 14 0.527 -6.121 2.929 1.00 0.00 C ATOM 159 O TYR A 14 1.091 -7.193 2.714 1.00 0.00 O ATOM 160 CB TYR A 14 0.568 -4.593 4.896 1.00 0.00 C ATOM 161 CG TYR A 14 1.456 -4.682 6.138 1.00 0.00 C ATOM 162 CD1 TYR A 14 2.319 -3.649 6.445 1.00 0.00 C ATOM 163 CD2 TYR A 14 1.395 -5.794 6.952 1.00 0.00 C ATOM 164 CE1 TYR A 14 3.155 -3.733 7.615 1.00 0.00 C ATOM 165 CE2 TYR A 14 2.231 -5.878 8.122 1.00 0.00 C ATOM 166 CZ TYR A 14 3.070 -4.843 8.395 1.00 0.00 C ATOM 167 OH TYR A 14 3.859 -4.922 9.500 1.00 0.00 O ATOM 0 H TYR A 14 0.336 -3.322 2.705 1.00 0.00 H new ATOM 0 HA TYR A 14 2.307 -5.292 3.757 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.183 -3.577 4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.292 -5.249 5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.367 -2.778 5.808 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.720 -6.602 6.712 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.834 -2.932 7.867 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.192 -6.743 8.768 1.00 0.00 H new ATOM 0 HH TYR A 14 3.691 -5.770 9.962 1.00 0.00 H new ATOM 177 N ASN A 15 -0.735 -5.863 2.622 1.00 0.00 N ATOM 178 CA ASN A 15 -1.571 -6.866 1.985 1.00 0.00 C ATOM 179 C ASN A 15 -2.792 -6.187 1.361 1.00 0.00 C ATOM 180 O ASN A 15 -3.047 -6.336 0.167 1.00 0.00 O ATOM 181 CB ASN A 15 -2.071 -7.893 3.004 1.00 0.00 C ATOM 182 CG ASN A 15 -2.107 -9.296 2.395 1.00 0.00 C ATOM 183 OD1 ASN A 15 -2.607 -9.516 1.305 1.00 0.00 O ATOM 184 ND2 ASN A 15 -1.549 -10.231 3.160 1.00 0.00 N ATOM 0 H ASN A 15 -1.200 -4.973 2.803 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.973 -7.371 1.226 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.421 -7.889 3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.068 -7.615 3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.522 -11.200 2.843 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.148 -9.979 4.063 1.00 0.00 H new ATOM 191 N GLY A 16 -3.513 -5.454 2.197 1.00 0.00 N ATOM 192 CA GLY A 16 -4.701 -4.751 1.742 1.00 0.00 C ATOM 193 C GLY A 16 -4.453 -4.074 0.392 1.00 0.00 C ATOM 194 O GLY A 16 -3.310 -3.950 -0.044 1.00 0.00 O ATOM 0 H GLY A 16 -3.298 -5.332 3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.532 -5.451 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.991 -4.003 2.480 1.00 0.00 H new ATOM 198 N ALA A 17 -5.544 -3.653 -0.231 1.00 0.00 N ATOM 199 CA ALA A 17 -5.460 -2.992 -1.522 1.00 0.00 C ATOM 200 C ALA A 17 -4.467 -1.831 -1.432 1.00 0.00 C ATOM 201 O ALA A 17 -4.634 -0.929 -0.613 1.00 0.00 O ATOM 202 CB ALA A 17 -6.855 -2.533 -1.953 1.00 0.00 C ATOM 0 H ALA A 17 -6.491 -3.757 0.134 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.094 -3.682 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.792 -2.037 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.515 -3.397 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.253 -1.837 -1.215 1.00 0.00 H new ATOM 208 N VAL A 18 -3.455 -1.893 -2.285 1.00 0.00 N ATOM 209 CA VAL A 18 -2.435 -0.858 -2.311 1.00 0.00 C ATOM 210 C VAL A 18 -2.550 -0.068 -3.616 1.00 0.00 C ATOM 211 O VAL A 18 -3.269 -0.471 -4.529 1.00 0.00 O ATOM 212 CB VAL A 18 -1.052 -1.482 -2.111 1.00 0.00 C ATOM 213 CG1 VAL A 18 -0.911 -2.060 -0.701 1.00 0.00 C ATOM 214 CG2 VAL A 18 -0.772 -2.548 -3.171 1.00 0.00 C ATOM 0 H VAL A 18 -3.319 -2.643 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.583 -0.155 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.309 -0.693 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.081 -2.497 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.046 -1.266 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.667 -2.829 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.217 -2.975 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.523 -3.335 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.810 -2.095 -4.162 1.00 0.00 H new ATOM 224 N ARG A 19 -1.832 1.045 -3.662 1.00 0.00 N ATOM 225 CA ARG A 19 -1.845 1.895 -4.840 1.00 0.00 C ATOM 226 C ARG A 19 -0.558 2.719 -4.914 1.00 0.00 C ATOM 227 O ARG A 19 0.022 3.065 -3.886 1.00 0.00 O ATOM 228 CB ARG A 19 -3.048 2.841 -4.823 1.00 0.00 C ATOM 229 CG ARG A 19 -3.390 3.318 -6.236 1.00 0.00 C ATOM 230 CD ARG A 19 -4.543 2.503 -6.825 1.00 0.00 C ATOM 231 NE ARG A 19 -5.088 3.186 -8.020 1.00 0.00 N ATOM 232 CZ ARG A 19 -4.584 3.056 -9.255 1.00 0.00 C ATOM 233 NH1 ARG A 19 -3.521 2.267 -9.465 1.00 0.00 N ATOM 234 NH2 ARG A 19 -5.143 3.714 -10.279 1.00 0.00 N ATOM 0 H ARG A 19 -1.238 1.377 -2.903 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.917 1.249 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.909 2.333 -4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.831 3.700 -4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.661 4.373 -6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.512 3.229 -6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.194 1.506 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.328 2.376 -6.079 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.898 3.794 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.096 1.766 -8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.137 2.168 -10.405 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.952 4.314 -10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.759 3.615 -11.219 1.00 0.00 H new ATOM 248 N GLU A 20 -0.149 3.011 -6.140 1.00 0.00 N ATOM 249 CA GLU A 20 1.059 3.788 -6.362 1.00 0.00 C ATOM 250 C GLU A 20 0.911 5.183 -5.752 1.00 0.00 C ATOM 251 O GLU A 20 1.800 5.652 -5.043 1.00 0.00 O ATOM 252 CB GLU A 20 1.390 3.873 -7.853 1.00 0.00 C ATOM 253 CG GLU A 20 1.728 2.493 -8.419 1.00 0.00 C ATOM 254 CD GLU A 20 1.553 2.466 -9.939 1.00 0.00 C ATOM 255 OE1 GLU A 20 1.945 3.469 -10.573 1.00 0.00 O ATOM 256 OE2 GLU A 20 1.031 1.442 -10.432 1.00 0.00 O ATOM 0 H GLU A 20 -0.633 2.723 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 20 1.889 3.283 -5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.543 4.294 -8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.232 4.548 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.755 2.232 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.085 1.741 -7.962 1.00 0.00 H new ATOM 263 N ASN A 21 -0.218 5.808 -6.051 1.00 0.00 N ATOM 264 CA ASN A 21 -0.494 7.141 -5.541 1.00 0.00 C ATOM 265 C ASN A 21 -0.332 7.144 -4.019 1.00 0.00 C ATOM 266 O ASN A 21 0.479 7.894 -3.479 1.00 0.00 O ATOM 267 CB ASN A 21 -1.926 7.569 -5.865 1.00 0.00 C ATOM 268 CG ASN A 21 -2.072 9.091 -5.798 1.00 0.00 C ATOM 269 OD1 ASN A 21 -1.108 9.836 -5.858 1.00 0.00 O ATOM 270 ND2 ASN A 21 -3.328 9.509 -5.671 1.00 0.00 N ATOM 0 H ASN A 21 -0.953 5.416 -6.640 1.00 0.00 H new ATOM 0 HA ASN A 21 0.204 7.833 -6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.198 7.217 -6.860 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.617 7.103 -5.162 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.530 10.507 -5.618 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.089 8.831 -5.627 1.00 0.00 H new ATOM 277 N TYR A 22 -1.117 6.295 -3.371 1.00 0.00 N ATOM 278 CA TYR A 22 -1.071 6.191 -1.923 1.00 0.00 C ATOM 279 C TYR A 22 -1.478 4.790 -1.461 1.00 0.00 C ATOM 280 O TYR A 22 -2.520 4.277 -1.867 1.00 0.00 O ATOM 281 CB TYR A 22 -2.087 7.205 -1.394 1.00 0.00 C ATOM 282 CG TYR A 22 -3.529 6.919 -1.818 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.292 6.016 -1.106 1.00 0.00 C ATOM 284 CD2 TYR A 22 -4.067 7.566 -2.913 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.649 5.748 -1.506 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.424 7.297 -3.312 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.148 6.401 -2.589 1.00 0.00 C ATOM 288 OH TYR A 22 -7.430 6.148 -2.966 1.00 0.00 O ATOM 0 H TYR A 22 -1.788 5.673 -3.822 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.062 6.381 -1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.036 7.222 -0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.807 8.200 -1.741 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.871 5.511 -0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.470 8.273 -3.470 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.257 5.044 -0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.857 7.796 -4.166 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.651 6.686 -3.754 1.00 0.00 H new ATOM 298 N THR A 23 -0.635 4.211 -0.619 1.00 0.00 N ATOM 299 CA THR A 23 -0.895 2.879 -0.098 1.00 0.00 C ATOM 300 C THR A 23 -1.774 2.958 1.152 1.00 0.00 C ATOM 301 O THR A 23 -1.727 3.943 1.888 1.00 0.00 O ATOM 302 CB THR A 23 0.452 2.197 0.149 1.00 0.00 C ATOM 303 OG1 THR A 23 1.284 3.241 0.647 1.00 0.00 O ATOM 304 CG2 THR A 23 1.136 1.764 -1.150 1.00 0.00 C ATOM 0 H THR A 23 0.228 4.639 -0.284 1.00 0.00 H new ATOM 0 HA THR A 23 -1.455 2.276 -0.813 1.00 0.00 H new ATOM 0 HB THR A 23 0.306 1.328 0.790 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.788 3.768 1.307 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.088 1.286 -0.918 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.496 1.060 -1.681 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.312 2.638 -1.777 1.00 0.00 H new ATOM 312 N TRP A 24 -2.555 1.907 1.355 1.00 0.00 N ATOM 313 CA TRP A 24 -3.443 1.844 2.503 1.00 0.00 C ATOM 314 C TRP A 24 -3.718 0.371 2.808 1.00 0.00 C ATOM 315 O TRP A 24 -3.523 -0.491 1.952 1.00 0.00 O ATOM 316 CB TRP A 24 -4.718 2.652 2.254 1.00 0.00 C ATOM 317 CG TRP A 24 -5.832 1.859 1.566 1.00 0.00 C ATOM 318 CD1 TRP A 24 -6.069 1.739 0.253 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.856 1.076 2.215 1.00 0.00 C ATOM 320 NE1 TRP A 24 -7.167 0.940 0.008 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.661 0.524 1.239 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.095 0.842 3.580 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.758 -0.298 1.525 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.196 0.020 3.849 1.00 0.00 C ATOM 325 CH2 TRP A 24 -9.015 -0.544 2.879 1.00 0.00 C ATOM 0 H TRP A 24 -2.591 1.092 0.743 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.977 2.298 3.377 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.089 3.029 3.207 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.472 3.520 1.642 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.475 2.209 -0.517 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.546 0.699 -0.908 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.478 1.263 4.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.373 -0.719 0.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.425 -0.190 4.883 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.846 -1.170 3.168 1.00 0.00 H new ATOM 336 N SER A 25 -4.167 0.126 4.031 1.00 0.00 N ATOM 337 CA SER A 25 -4.471 -1.228 4.459 1.00 0.00 C ATOM 338 C SER A 25 -5.632 -1.214 5.456 1.00 0.00 C ATOM 339 O SER A 25 -5.942 -0.175 6.038 1.00 0.00 O ATOM 340 CB SER A 25 -3.244 -1.897 5.083 1.00 0.00 C ATOM 341 OG SER A 25 -2.107 -1.831 4.227 1.00 0.00 O ATOM 0 H SER A 25 -4.327 0.843 4.739 1.00 0.00 H new ATOM 0 HA SER A 25 -4.761 -1.807 3.582 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.012 -1.415 6.032 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.472 -2.940 5.303 1.00 0.00 H new ATOM 0 HG SER A 25 -1.292 -1.965 4.755 1.00 0.00 H new ATOM 347 N GLN A 26 -6.242 -2.378 5.622 1.00 0.00 N ATOM 348 CA GLN A 26 -7.362 -2.512 6.538 1.00 0.00 C ATOM 349 C GLN A 26 -6.943 -3.307 7.776 1.00 0.00 C ATOM 350 O GLN A 26 -6.262 -4.325 7.663 1.00 0.00 O ATOM 351 CB GLN A 26 -8.560 -3.166 5.846 1.00 0.00 C ATOM 352 CG GLN A 26 -8.129 -4.401 5.053 1.00 0.00 C ATOM 353 CD GLN A 26 -9.327 -5.302 4.748 1.00 0.00 C ATOM 354 OE1 GLN A 26 -10.437 -5.078 5.203 1.00 0.00 O ATOM 355 NE2 GLN A 26 -9.043 -6.330 3.954 1.00 0.00 N ATOM 0 H GLN A 26 -5.982 -3.237 5.138 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.667 -1.515 6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.304 -3.449 6.590 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.035 -2.448 5.178 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.655 -4.092 4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.384 -4.960 5.620 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.092 -6.460 3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.776 -6.989 3.691 1.00 0.00 H new ATOM 364 N ASP A 27 -7.367 -2.812 8.929 1.00 0.00 N ATOM 365 CA ASP A 27 -7.044 -3.463 10.187 1.00 0.00 C ATOM 366 C ASP A 27 -8.333 -3.714 10.973 1.00 0.00 C ATOM 367 O ASP A 27 -9.396 -3.218 10.602 1.00 0.00 O ATOM 368 CB ASP A 27 -6.131 -2.584 11.044 1.00 0.00 C ATOM 369 CG ASP A 27 -5.694 -3.207 12.372 1.00 0.00 C ATOM 370 OD1 ASP A 27 -4.699 -3.963 12.343 1.00 0.00 O ATOM 371 OD2 ASP A 27 -6.364 -2.913 13.385 1.00 0.00 O ATOM 0 H ASP A 27 -7.932 -1.967 9.019 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.534 -4.399 9.960 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.241 -2.338 10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.646 -1.646 11.252 1.00 0.00 H new ATOM 376 N TYR A 28 -8.196 -4.483 12.043 1.00 0.00 N ATOM 377 CA TYR A 28 -9.337 -4.805 12.883 1.00 0.00 C ATOM 378 C TYR A 28 -10.280 -3.607 13.011 1.00 0.00 C ATOM 379 O TYR A 28 -11.464 -3.708 12.694 1.00 0.00 O ATOM 380 CB TYR A 28 -8.764 -5.137 14.262 1.00 0.00 C ATOM 381 CG TYR A 28 -9.782 -5.745 15.229 1.00 0.00 C ATOM 382 CD1 TYR A 28 -10.594 -4.923 15.983 1.00 0.00 C ATOM 383 CD2 TYR A 28 -9.887 -7.116 15.348 1.00 0.00 C ATOM 384 CE1 TYR A 28 -11.552 -5.495 16.893 1.00 0.00 C ATOM 385 CE2 TYR A 28 -10.845 -7.689 16.258 1.00 0.00 C ATOM 386 CZ TYR A 28 -11.630 -6.850 16.986 1.00 0.00 C ATOM 387 OH TYR A 28 -12.535 -7.390 17.845 1.00 0.00 O ATOM 0 H TYR A 28 -7.313 -4.892 12.347 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.907 -5.631 12.456 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.933 -5.832 14.141 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.357 -4.227 14.704 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.511 -3.850 15.891 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.251 -7.759 14.759 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -12.194 -4.863 17.488 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.938 -8.760 16.360 1.00 0.00 H new ATOM 0 HH TYR A 28 -12.480 -8.368 17.806 1.00 0.00 H new ATOM 397 N THR A 29 -9.719 -2.500 13.476 1.00 0.00 N ATOM 398 CA THR A 29 -10.495 -1.284 13.649 1.00 0.00 C ATOM 399 C THR A 29 -9.603 -0.053 13.478 1.00 0.00 C ATOM 400 O THR A 29 -9.256 0.607 14.456 1.00 0.00 O ATOM 401 CB THR A 29 -11.182 -1.352 15.014 1.00 0.00 C ATOM 402 OG1 THR A 29 -11.932 -0.143 15.086 1.00 0.00 O ATOM 403 CG2 THR A 29 -10.190 -1.245 16.175 1.00 0.00 C ATOM 0 H THR A 29 -8.737 -2.420 13.738 1.00 0.00 H new ATOM 0 HA THR A 29 -11.267 -1.195 12.885 1.00 0.00 H new ATOM 0 HB THR A 29 -11.736 -2.287 15.095 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.411 -0.106 15.940 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.729 -1.299 17.121 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.474 -2.065 16.119 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.659 -0.295 16.114 1.00 0.00 H new ATOM 411 N ASP A 30 -9.256 0.218 12.229 1.00 0.00 N ATOM 412 CA ASP A 30 -8.411 1.358 11.917 1.00 0.00 C ATOM 413 C ASP A 30 -7.822 1.183 10.516 1.00 0.00 C ATOM 414 O ASP A 30 -7.762 0.069 9.998 1.00 0.00 O ATOM 415 CB ASP A 30 -7.249 1.469 12.907 1.00 0.00 C ATOM 416 CG ASP A 30 -7.333 2.654 13.872 1.00 0.00 C ATOM 417 OD1 ASP A 30 -7.010 3.775 13.423 1.00 0.00 O ATOM 418 OD2 ASP A 30 -7.718 2.411 15.036 1.00 0.00 O ATOM 0 H ASP A 30 -9.545 -0.333 11.420 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.023 2.258 11.976 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.198 0.549 13.489 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.318 1.543 12.345 1.00 0.00 H new ATOM 423 N LEU A 31 -7.403 2.301 9.941 1.00 0.00 N ATOM 424 CA LEU A 31 -6.821 2.285 8.610 1.00 0.00 C ATOM 425 C LEU A 31 -5.444 2.950 8.651 1.00 0.00 C ATOM 426 O LEU A 31 -5.251 3.942 9.352 1.00 0.00 O ATOM 427 CB LEU A 31 -7.780 2.919 7.599 1.00 0.00 C ATOM 428 CG LEU A 31 -9.214 2.387 7.609 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.097 3.208 8.550 1.00 0.00 C ATOM 430 CD2 LEU A 31 -9.786 2.327 6.191 1.00 0.00 C ATOM 0 H LEU A 31 -7.455 3.224 10.373 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.670 1.260 8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.811 3.993 7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.368 2.778 6.600 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.198 1.367 7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.111 2.809 8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.698 3.154 9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.112 4.247 8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.806 1.945 6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.787 3.327 5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.172 1.666 5.579 1.00 0.00 H new ATOM 442 N GLU A 32 -4.522 2.376 7.892 1.00 0.00 N ATOM 443 CA GLU A 32 -3.168 2.901 7.834 1.00 0.00 C ATOM 444 C GLU A 32 -2.774 3.191 6.384 1.00 0.00 C ATOM 445 O GLU A 32 -2.509 2.270 5.613 1.00 0.00 O ATOM 446 CB GLU A 32 -2.178 1.936 8.489 1.00 0.00 C ATOM 447 CG GLU A 32 -1.586 2.540 9.764 1.00 0.00 C ATOM 448 CD GLU A 32 -0.972 1.455 10.651 1.00 0.00 C ATOM 449 OE1 GLU A 32 -1.550 0.348 10.676 1.00 0.00 O ATOM 450 OE2 GLU A 32 0.063 1.758 11.284 1.00 0.00 O ATOM 0 H GLU A 32 -4.686 1.553 7.312 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.137 3.836 8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.681 0.999 8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.377 1.700 7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.825 3.275 9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.364 3.068 10.315 1.00 0.00 H new ATOM 457 N VAL A 33 -2.746 4.475 6.058 1.00 0.00 N ATOM 458 CA VAL A 33 -2.388 4.898 4.715 1.00 0.00 C ATOM 459 C VAL A 33 -1.097 5.717 4.770 1.00 0.00 C ATOM 460 O VAL A 33 -0.999 6.678 5.530 1.00 0.00 O ATOM 461 CB VAL A 33 -3.552 5.660 4.078 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.336 6.444 5.133 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.059 6.583 2.962 1.00 0.00 C ATOM 0 H VAL A 33 -2.965 5.236 6.701 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.198 4.032 4.080 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.227 4.929 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.158 6.977 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.735 5.754 5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.674 7.160 5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.907 7.112 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.352 7.305 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.566 5.991 2.191 1.00 0.00 H new ATOM 473 N ARG A 34 -0.138 5.305 3.953 1.00 0.00 N ATOM 474 CA ARG A 34 1.143 5.988 3.899 1.00 0.00 C ATOM 475 C ARG A 34 1.370 6.583 2.508 1.00 0.00 C ATOM 476 O ARG A 34 1.195 5.900 1.501 1.00 0.00 O ATOM 477 CB ARG A 34 2.292 5.033 4.231 1.00 0.00 C ATOM 478 CG ARG A 34 2.532 4.966 5.740 1.00 0.00 C ATOM 479 CD ARG A 34 3.072 3.595 6.150 1.00 0.00 C ATOM 480 NE ARG A 34 4.529 3.529 5.899 1.00 0.00 N ATOM 481 CZ ARG A 34 5.334 2.578 6.390 1.00 0.00 C ATOM 482 NH1 ARG A 34 4.829 1.605 7.161 1.00 0.00 N ATOM 483 NH2 ARG A 34 6.644 2.598 6.110 1.00 0.00 N ATOM 0 H ARG A 34 -0.223 4.507 3.323 1.00 0.00 H new ATOM 0 HA ARG A 34 1.123 6.786 4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.063 4.037 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.201 5.364 3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.239 5.742 6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.600 5.167 6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.868 3.416 7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.562 2.812 5.589 1.00 0.00 H new ATOM 0 HE ARG A 34 4.946 4.254 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.832 1.589 7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.442 0.881 7.535 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.029 3.338 5.523 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.257 1.873 6.484 1.00 0.00 H new ATOM 497 N VAL A 35 1.754 7.851 2.497 1.00 0.00 N ATOM 498 CA VAL A 35 2.006 8.546 1.247 1.00 0.00 C ATOM 499 C VAL A 35 3.503 8.835 1.121 1.00 0.00 C ATOM 500 O VAL A 35 4.118 9.359 2.049 1.00 0.00 O ATOM 501 CB VAL A 35 1.145 9.808 1.167 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.214 10.432 -0.229 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.302 9.511 1.564 1.00 0.00 C ATOM 0 H VAL A 35 1.897 8.415 3.335 1.00 0.00 H new ATOM 0 HA VAL A 35 1.723 7.921 0.400 1.00 0.00 H new ATOM 0 HB VAL A 35 1.545 10.532 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.593 11.327 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.246 10.698 -0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.852 9.715 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.892 10.425 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.718 8.762 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.329 9.134 2.587 1.00 0.00 H new ATOM 513 N PRO A 36 4.061 8.472 -0.065 1.00 0.00 N ATOM 514 CA PRO A 36 5.475 8.687 -0.324 1.00 0.00 C ATOM 515 C PRO A 36 5.763 10.163 -0.601 1.00 0.00 C ATOM 516 O PRO A 36 4.980 10.838 -1.267 1.00 0.00 O ATOM 517 CB PRO A 36 5.799 7.786 -1.505 1.00 0.00 C ATOM 518 CG PRO A 36 4.466 7.455 -2.156 1.00 0.00 C ATOM 519 CD PRO A 36 3.364 7.850 -1.187 1.00 0.00 C ATOM 0 HA PRO A 36 6.103 8.440 0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.463 8.288 -2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.309 6.880 -1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.357 7.993 -3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.408 6.391 -2.388 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.660 8.543 -1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.791 6.981 -0.864 1.00 0.00 H new ATOM 527 N VAL A 37 6.890 10.622 -0.076 1.00 0.00 N ATOM 528 CA VAL A 37 7.291 12.006 -0.258 1.00 0.00 C ATOM 529 C VAL A 37 8.712 12.050 -0.823 1.00 0.00 C ATOM 530 O VAL A 37 9.469 11.090 -0.686 1.00 0.00 O ATOM 531 CB VAL A 37 7.148 12.771 1.060 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.710 12.707 1.577 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.132 12.245 2.108 1.00 0.00 C ATOM 0 H VAL A 37 7.538 10.059 0.475 1.00 0.00 H new ATOM 0 HA VAL A 37 6.639 12.501 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 37 7.389 13.817 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.636 13.258 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.039 13.150 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.429 11.667 1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.010 12.805 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.936 11.189 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.152 12.366 1.743 1.00 0.00 H new ATOM 543 N PRO A 38 9.041 13.204 -1.464 1.00 0.00 N ATOM 544 CA PRO A 38 10.357 13.386 -2.051 1.00 0.00 C ATOM 545 C PRO A 38 11.408 13.646 -0.970 1.00 0.00 C ATOM 546 O PRO A 38 11.079 13.741 0.212 1.00 0.00 O ATOM 547 CB PRO A 38 10.200 14.548 -3.018 1.00 0.00 C ATOM 548 CG PRO A 38 8.930 15.270 -2.599 1.00 0.00 C ATOM 549 CD PRO A 38 8.170 14.362 -1.646 1.00 0.00 C ATOM 0 HA PRO A 38 10.711 12.497 -2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.061 15.214 -2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.127 14.193 -4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.171 16.216 -2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.319 15.505 -3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.971 14.861 -0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.205 14.071 -2.061 1.00 0.00 H new ATOM 557 N LYS A 39 12.652 13.755 -1.413 1.00 0.00 N ATOM 558 CA LYS A 39 13.754 14.003 -0.498 1.00 0.00 C ATOM 559 C LYS A 39 13.886 15.509 -0.261 1.00 0.00 C ATOM 560 O LYS A 39 14.878 15.967 0.303 1.00 0.00 O ATOM 561 CB LYS A 39 15.036 13.346 -1.012 1.00 0.00 C ATOM 562 CG LYS A 39 14.765 11.921 -1.500 1.00 0.00 C ATOM 563 CD LYS A 39 14.998 10.905 -0.381 1.00 0.00 C ATOM 564 CE LYS A 39 16.216 10.029 -0.681 1.00 0.00 C ATOM 565 NZ LYS A 39 16.390 9.004 0.373 1.00 0.00 N ATOM 0 H LYS A 39 12.922 13.676 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 39 13.555 13.544 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.452 13.940 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.782 13.326 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.738 11.844 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.415 11.692 -2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.145 11.427 0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.114 10.278 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.094 9.545 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.110 10.649 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.221 8.418 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.528 9.471 1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.543 8.402 0.415 1.00 0.00 H new ATOM 579 N HIS A 40 12.872 16.237 -0.705 1.00 0.00 N ATOM 580 CA HIS A 40 12.862 17.681 -0.549 1.00 0.00 C ATOM 581 C HIS A 40 11.791 18.081 0.467 1.00 0.00 C ATOM 582 O HIS A 40 11.678 19.251 0.828 1.00 0.00 O ATOM 583 CB HIS A 40 12.683 18.372 -1.902 1.00 0.00 C ATOM 584 CG HIS A 40 11.254 18.410 -2.388 1.00 0.00 C ATOM 585 ND1 HIS A 40 10.827 17.733 -3.517 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.158 19.049 -1.886 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.532 17.962 -3.678 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.120 18.778 -2.667 1.00 0.00 N ATOM 0 H HIS A 40 12.051 15.853 -1.173 1.00 0.00 H new ATOM 0 HA HIS A 40 13.824 18.015 -0.160 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.059 19.393 -1.830 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.295 17.859 -2.644 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.139 19.670 -1.003 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.912 17.571 -4.471 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.170 19.124 -2.533 1.00 0.00 H new ATOM 596 N VAL A 41 11.031 17.085 0.900 1.00 0.00 N ATOM 597 CA VAL A 41 9.973 17.318 1.868 1.00 0.00 C ATOM 598 C VAL A 41 10.441 16.856 3.250 1.00 0.00 C ATOM 599 O VAL A 41 10.675 15.668 3.465 1.00 0.00 O ATOM 600 CB VAL A 41 8.685 16.629 1.412 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.656 16.585 2.543 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.108 17.312 0.171 1.00 0.00 C ATOM 0 H VAL A 41 11.127 16.115 0.598 1.00 0.00 H new ATOM 0 HA VAL A 41 9.749 18.382 1.940 1.00 0.00 H new ATOM 0 HB VAL A 41 8.931 15.601 1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.750 16.090 2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.067 16.032 3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.416 17.601 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.193 16.803 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.885 18.354 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.835 17.267 -0.640 1.00 0.00 H new ATOM 612 N VAL A 42 10.562 17.820 4.151 1.00 0.00 N ATOM 613 CA VAL A 42 10.998 17.527 5.506 1.00 0.00 C ATOM 614 C VAL A 42 10.114 18.288 6.496 1.00 0.00 C ATOM 615 O VAL A 42 9.717 17.742 7.525 1.00 0.00 O ATOM 616 CB VAL A 42 12.485 17.853 5.659 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.345 16.887 4.843 1.00 0.00 C ATOM 618 CG2 VAL A 42 12.771 19.305 5.270 1.00 0.00 C ATOM 0 H VAL A 42 10.366 18.804 3.969 1.00 0.00 H new ATOM 0 HA VAL A 42 10.888 16.464 5.722 1.00 0.00 H new ATOM 0 HB VAL A 42 12.748 17.730 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.397 17.141 4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.174 15.867 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.078 16.963 3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.835 19.510 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.483 19.467 4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.199 19.973 5.913 1.00 0.00 H new ATOM 628 N LYS A 43 9.831 19.535 6.152 1.00 0.00 N ATOM 629 CA LYS A 43 9.001 20.376 6.998 1.00 0.00 C ATOM 630 C LYS A 43 7.534 19.980 6.820 1.00 0.00 C ATOM 631 O LYS A 43 7.087 19.728 5.702 1.00 0.00 O ATOM 632 CB LYS A 43 9.278 21.855 6.720 1.00 0.00 C ATOM 633 CG LYS A 43 10.623 22.282 7.312 1.00 0.00 C ATOM 634 CD LYS A 43 11.218 23.455 6.531 1.00 0.00 C ATOM 635 CE LYS A 43 12.724 23.274 6.334 1.00 0.00 C ATOM 636 NZ LYS A 43 13.476 24.054 7.342 1.00 0.00 N ATOM 0 H LYS A 43 10.162 19.984 5.298 1.00 0.00 H new ATOM 0 HA LYS A 43 9.248 20.222 8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.277 22.033 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.480 22.464 7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.491 22.565 8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.316 21.440 7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.728 23.537 5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.027 24.386 7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.983 22.218 6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.007 23.596 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.497 23.920 7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.242 25.063 7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.219 23.728 8.296 1.00 0.00 H new ATOM 650 N GLY A 44 6.826 19.939 7.939 1.00 0.00 N ATOM 651 CA GLY A 44 5.418 19.579 7.921 1.00 0.00 C ATOM 652 C GLY A 44 4.596 20.619 7.158 1.00 0.00 C ATOM 653 O GLY A 44 3.441 20.372 6.812 1.00 0.00 O ATOM 0 H GLY A 44 7.201 20.149 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.295 18.601 7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.047 19.495 8.943 1.00 0.00 H new ATOM 657 N LYS A 45 5.222 21.762 6.918 1.00 0.00 N ATOM 658 CA LYS A 45 4.563 22.841 6.203 1.00 0.00 C ATOM 659 C LYS A 45 4.676 22.593 4.697 1.00 0.00 C ATOM 660 O LYS A 45 3.995 23.243 3.905 1.00 0.00 O ATOM 661 CB LYS A 45 5.119 24.196 6.646 1.00 0.00 C ATOM 662 CG LYS A 45 6.519 24.428 6.075 1.00 0.00 C ATOM 663 CD LYS A 45 6.662 25.853 5.537 1.00 0.00 C ATOM 664 CE LYS A 45 5.938 26.008 4.198 1.00 0.00 C ATOM 665 NZ LYS A 45 5.961 27.421 3.757 1.00 0.00 N ATOM 0 H LYS A 45 6.179 21.964 7.206 1.00 0.00 H new ATOM 0 HA LYS A 45 3.500 22.864 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.452 24.992 6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.155 24.240 7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.265 24.251 6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.713 23.713 5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.255 26.561 6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.718 26.095 5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.413 25.378 3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.907 25.667 4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.465 27.509 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.487 28.014 4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.947 27.734 3.646 1.00 0.00 H new ATOM 679 N GLN A 46 5.540 21.652 4.348 1.00 0.00 N ATOM 680 CA GLN A 46 5.751 21.310 2.952 1.00 0.00 C ATOM 681 C GLN A 46 4.630 20.395 2.454 1.00 0.00 C ATOM 682 O GLN A 46 4.557 20.086 1.266 1.00 0.00 O ATOM 683 CB GLN A 46 7.120 20.660 2.747 1.00 0.00 C ATOM 684 CG GLN A 46 8.233 21.710 2.754 1.00 0.00 C ATOM 685 CD GLN A 46 9.353 21.330 1.785 1.00 0.00 C ATOM 686 OE1 GLN A 46 9.282 21.565 0.590 1.00 0.00 O ATOM 687 NE2 GLN A 46 10.389 20.729 2.364 1.00 0.00 N ATOM 0 H GLN A 46 6.103 21.115 5.008 1.00 0.00 H new ATOM 0 HA GLN A 46 5.731 22.229 2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.301 19.928 3.535 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.132 20.119 1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.823 22.681 2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.637 21.809 3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.385 20.562 3.370 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.188 20.435 1.802 1.00 0.00 H new ATOM 696 N VAL A 47 3.783 19.988 3.388 1.00 0.00 N ATOM 697 CA VAL A 47 2.669 19.115 3.060 1.00 0.00 C ATOM 698 C VAL A 47 1.405 19.624 3.756 1.00 0.00 C ATOM 699 O VAL A 47 1.482 20.241 4.817 1.00 0.00 O ATOM 700 CB VAL A 47 3.012 17.669 3.425 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.498 16.894 2.198 1.00 0.00 C ATOM 702 CG2 VAL A 47 4.047 17.619 4.551 1.00 0.00 C ATOM 0 H VAL A 47 3.846 20.247 4.373 1.00 0.00 H new ATOM 0 HA VAL A 47 2.477 19.128 1.987 1.00 0.00 H new ATOM 0 HB VAL A 47 2.102 17.189 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.735 15.870 2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.716 16.886 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.390 17.373 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.273 16.580 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.958 18.124 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.648 18.117 5.435 1.00 0.00 H new ATOM 712 N SER A 48 0.271 19.346 3.130 1.00 0.00 N ATOM 713 CA SER A 48 -1.008 19.768 3.676 1.00 0.00 C ATOM 714 C SER A 48 -1.837 18.545 4.072 1.00 0.00 C ATOM 715 O SER A 48 -1.739 17.493 3.441 1.00 0.00 O ATOM 716 CB SER A 48 -1.778 20.630 2.673 1.00 0.00 C ATOM 717 OG SER A 48 -1.056 21.805 2.314 1.00 0.00 O ATOM 0 H SER A 48 0.211 18.834 2.250 1.00 0.00 H new ATOM 0 HA SER A 48 -0.818 20.373 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.987 20.045 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.740 20.912 3.101 1.00 0.00 H new ATOM 0 HG SER A 48 -1.580 22.327 1.671 1.00 0.00 H new ATOM 723 N VAL A 49 -2.636 18.723 5.114 1.00 0.00 N ATOM 724 CA VAL A 49 -3.482 17.646 5.601 1.00 0.00 C ATOM 725 C VAL A 49 -4.846 18.215 5.997 1.00 0.00 C ATOM 726 O VAL A 49 -4.960 18.925 6.995 1.00 0.00 O ATOM 727 CB VAL A 49 -2.785 16.911 6.747 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.759 15.982 7.476 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.565 16.138 6.242 1.00 0.00 C ATOM 0 H VAL A 49 -2.716 19.597 5.635 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.653 16.909 4.816 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.437 17.658 7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.238 15.472 8.286 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.582 16.567 7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.152 15.245 6.776 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.088 15.625 7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.880 15.406 5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.856 16.832 5.790 1.00 0.00 H new ATOM 739 N ALA A 50 -5.846 17.881 5.194 1.00 0.00 N ATOM 740 CA ALA A 50 -7.198 18.350 5.449 1.00 0.00 C ATOM 741 C ALA A 50 -8.047 17.187 5.966 1.00 0.00 C ATOM 742 O ALA A 50 -8.389 16.279 5.210 1.00 0.00 O ATOM 743 CB ALA A 50 -7.772 18.969 4.173 1.00 0.00 C ATOM 0 H ALA A 50 -5.747 17.292 4.367 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.198 19.125 6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.786 19.321 4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.149 19.808 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.791 18.220 3.382 1.00 0.00 H new ATOM 749 N LEU A 51 -8.363 17.253 7.251 1.00 0.00 N ATOM 750 CA LEU A 51 -9.166 16.217 7.878 1.00 0.00 C ATOM 751 C LEU A 51 -10.540 16.787 8.232 1.00 0.00 C ATOM 752 O LEU A 51 -10.639 17.888 8.772 1.00 0.00 O ATOM 753 CB LEU A 51 -8.424 15.613 9.072 1.00 0.00 C ATOM 754 CG LEU A 51 -7.124 14.873 8.750 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.348 14.547 10.027 1.00 0.00 C ATOM 756 CD2 LEU A 51 -7.397 13.624 7.910 1.00 0.00 C ATOM 0 H LEU A 51 -8.078 18.008 7.875 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.332 15.392 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.198 16.413 9.777 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.096 14.921 9.580 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.496 15.532 8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.428 14.021 9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.103 15.471 10.550 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.958 13.916 10.673 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.456 13.117 7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.054 12.951 8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.875 13.912 6.974 1.00 0.00 H new ATOM 768 N SER A 52 -11.567 16.012 7.915 1.00 0.00 N ATOM 769 CA SER A 52 -12.932 16.427 8.194 1.00 0.00 C ATOM 770 C SER A 52 -13.697 15.288 8.870 1.00 0.00 C ATOM 771 O SER A 52 -14.079 15.397 10.034 1.00 0.00 O ATOM 772 CB SER A 52 -13.648 16.860 6.913 1.00 0.00 C ATOM 773 OG SER A 52 -13.100 18.060 6.375 1.00 0.00 O ATOM 0 H SER A 52 -11.482 15.099 7.468 1.00 0.00 H new ATOM 0 HA SER A 52 -12.899 17.284 8.867 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.577 16.064 6.171 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.708 17.007 7.122 1.00 0.00 H new ATOM 0 HG SER A 52 -13.583 18.302 5.557 1.00 0.00 H new ATOM 779 N SER A 53 -13.898 14.220 8.112 1.00 0.00 N ATOM 780 CA SER A 53 -14.611 13.062 8.623 1.00 0.00 C ATOM 781 C SER A 53 -14.762 12.012 7.521 1.00 0.00 C ATOM 782 O SER A 53 -14.641 10.815 7.777 1.00 0.00 O ATOM 783 CB SER A 53 -15.983 13.458 9.172 1.00 0.00 C ATOM 784 OG SER A 53 -16.798 14.072 8.178 1.00 0.00 O ATOM 0 H SER A 53 -13.579 14.132 7.147 1.00 0.00 H new ATOM 0 HA SER A 53 -14.031 12.637 9.443 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.488 12.573 9.559 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.854 14.143 10.010 1.00 0.00 H new ATOM 0 HG SER A 53 -17.598 14.451 8.599 1.00 0.00 H new ATOM 790 N SER A 54 -15.026 12.498 6.317 1.00 0.00 N ATOM 791 CA SER A 54 -15.196 11.617 5.174 1.00 0.00 C ATOM 792 C SER A 54 -14.484 12.201 3.952 1.00 0.00 C ATOM 793 O SER A 54 -15.011 12.154 2.842 1.00 0.00 O ATOM 794 CB SER A 54 -16.678 11.391 4.868 1.00 0.00 C ATOM 795 OG SER A 54 -16.882 10.910 3.542 1.00 0.00 O ATOM 0 H SER A 54 -15.126 13.491 6.108 1.00 0.00 H new ATOM 0 HA SER A 54 -14.752 10.652 5.418 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.090 10.676 5.580 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.223 12.326 5.002 1.00 0.00 H new ATOM 0 HG SER A 54 -16.628 11.605 2.899 1.00 0.00 H new ATOM 801 N SER A 55 -13.298 12.737 4.198 1.00 0.00 N ATOM 802 CA SER A 55 -12.509 13.330 3.132 1.00 0.00 C ATOM 803 C SER A 55 -11.083 13.592 3.620 1.00 0.00 C ATOM 804 O SER A 55 -10.884 14.099 4.723 1.00 0.00 O ATOM 805 CB SER A 55 -13.146 14.627 2.631 1.00 0.00 C ATOM 806 OG SER A 55 -14.303 14.979 3.384 1.00 0.00 O ATOM 0 H SER A 55 -12.864 12.773 5.120 1.00 0.00 H new ATOM 0 HA SER A 55 -12.477 12.628 2.299 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.417 15.435 2.688 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.417 14.516 1.581 1.00 0.00 H new ATOM 0 HG SER A 55 -14.680 15.813 3.034 1.00 0.00 H new ATOM 812 N ILE A 56 -10.127 13.235 2.774 1.00 0.00 N ATOM 813 CA ILE A 56 -8.725 13.426 3.106 1.00 0.00 C ATOM 814 C ILE A 56 -8.053 14.248 2.005 1.00 0.00 C ATOM 815 O ILE A 56 -8.487 14.225 0.854 1.00 0.00 O ATOM 816 CB ILE A 56 -8.048 12.079 3.367 1.00 0.00 C ATOM 817 CG1 ILE A 56 -6.560 12.262 3.669 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.282 11.113 2.204 1.00 0.00 C ATOM 819 CD1 ILE A 56 -5.943 10.966 4.197 1.00 0.00 C ATOM 0 H ILE A 56 -10.296 12.815 1.860 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.626 13.991 4.033 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.504 11.634 4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.038 12.575 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.430 13.056 4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.790 10.163 2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.352 10.947 2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.871 11.539 1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.885 11.125 4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.451 10.669 5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.053 10.180 3.450 1.00 0.00 H new ATOM 831 N ARG A 57 -7.004 14.956 2.397 1.00 0.00 N ATOM 832 CA ARG A 57 -6.267 15.785 1.457 1.00 0.00 C ATOM 833 C ARG A 57 -4.773 15.762 1.788 1.00 0.00 C ATOM 834 O ARG A 57 -4.349 16.312 2.803 1.00 0.00 O ATOM 835 CB ARG A 57 -6.767 17.231 1.489 1.00 0.00 C ATOM 836 CG ARG A 57 -6.107 18.063 0.387 1.00 0.00 C ATOM 837 CD ARG A 57 -7.107 19.039 -0.236 1.00 0.00 C ATOM 838 NE ARG A 57 -6.385 20.116 -0.950 1.00 0.00 N ATOM 839 CZ ARG A 57 -6.905 20.829 -1.958 1.00 0.00 C ATOM 840 NH1 ARG A 57 -8.154 20.583 -2.377 1.00 0.00 N ATOM 841 NH2 ARG A 57 -6.177 21.787 -2.547 1.00 0.00 N ATOM 0 H ARG A 57 -6.647 14.973 3.352 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.428 15.379 0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.850 17.248 1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.552 17.673 2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.263 18.616 0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.710 17.403 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.763 18.509 -0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.741 19.467 0.540 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.432 20.329 -0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.708 19.853 -1.928 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.551 21.125 -3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.226 21.974 -2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.573 22.330 -3.314 1.00 0.00 H new ATOM 855 N VAL A 58 -4.015 15.120 0.911 1.00 0.00 N ATOM 856 CA VAL A 58 -2.578 15.018 1.096 1.00 0.00 C ATOM 857 C VAL A 58 -1.867 15.648 -0.103 1.00 0.00 C ATOM 858 O VAL A 58 -1.832 15.065 -1.185 1.00 0.00 O ATOM 859 CB VAL A 58 -2.182 13.558 1.326 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.702 13.442 1.697 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.067 12.911 2.393 1.00 0.00 C ATOM 0 H VAL A 58 -4.370 14.665 0.070 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.268 15.569 1.984 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.336 13.019 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.448 12.394 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.092 13.846 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.511 14.003 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.764 11.874 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.960 13.454 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.108 12.944 2.071 1.00 0.00 H new ATOM 871 N ALA A 59 -1.319 16.832 0.130 1.00 0.00 N ATOM 872 CA ALA A 59 -0.611 17.548 -0.917 1.00 0.00 C ATOM 873 C ALA A 59 0.787 17.919 -0.420 1.00 0.00 C ATOM 874 O ALA A 59 0.971 18.222 0.758 1.00 0.00 O ATOM 875 CB ALA A 59 -1.425 18.773 -1.338 1.00 0.00 C ATOM 0 H ALA A 59 -1.351 17.313 1.029 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.490 16.918 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.894 19.310 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.398 18.453 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.564 19.430 -0.479 1.00 0.00 H new ATOM 881 N MET A 60 1.738 17.885 -1.343 1.00 0.00 N ATOM 882 CA MET A 60 3.114 18.214 -1.013 1.00 0.00 C ATOM 883 C MET A 60 3.616 19.385 -1.860 1.00 0.00 C ATOM 884 O MET A 60 3.363 19.438 -3.063 1.00 0.00 O ATOM 885 CB MET A 60 4.003 16.992 -1.252 1.00 0.00 C ATOM 886 CG MET A 60 3.868 16.489 -2.690 1.00 0.00 C ATOM 887 SD MET A 60 5.481 16.144 -3.371 1.00 0.00 S ATOM 888 CE MET A 60 6.266 17.728 -3.124 1.00 0.00 C ATOM 0 H MET A 60 1.582 17.634 -2.319 1.00 0.00 H new ATOM 0 HA MET A 60 3.157 18.505 0.037 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.043 17.249 -1.049 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.729 16.197 -0.558 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.255 15.588 -2.713 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.359 17.236 -3.299 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.906 17.954 -3.977 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.503 18.501 -3.028 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.868 17.698 -2.216 1.00 0.00 H new ATOM 898 N LEU A 61 4.318 20.294 -1.199 1.00 0.00 N ATOM 899 CA LEU A 61 4.857 21.461 -1.877 1.00 0.00 C ATOM 900 C LEU A 61 5.960 21.020 -2.841 1.00 0.00 C ATOM 901 O LEU A 61 6.814 20.210 -2.485 1.00 0.00 O ATOM 902 CB LEU A 61 5.312 22.509 -0.860 1.00 0.00 C ATOM 903 CG LEU A 61 4.204 23.170 -0.037 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.670 24.514 0.528 1.00 0.00 C ATOM 905 CD2 LEU A 61 2.920 23.307 -0.858 1.00 0.00 C ATOM 0 H LEU A 61 4.526 20.246 -0.202 1.00 0.00 H new ATOM 0 HA LEU A 61 4.085 21.945 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.016 22.039 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.858 23.289 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 61 3.976 22.525 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.865 24.963 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.537 24.358 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.941 25.179 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.148 23.780 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.115 23.920 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.581 22.319 -1.171 1.00 0.00 H new ATOM 917 N GLU A 62 5.907 21.573 -4.044 1.00 0.00 N ATOM 918 CA GLU A 62 6.891 21.247 -5.062 1.00 0.00 C ATOM 919 C GLU A 62 7.950 22.348 -5.148 1.00 0.00 C ATOM 920 O GLU A 62 7.955 23.274 -4.338 1.00 0.00 O ATOM 921 CB GLU A 62 6.222 21.023 -6.420 1.00 0.00 C ATOM 922 CG GLU A 62 5.670 19.600 -6.530 1.00 0.00 C ATOM 923 CD GLU A 62 6.619 18.705 -7.331 1.00 0.00 C ATOM 924 OE1 GLU A 62 7.271 19.248 -8.249 1.00 0.00 O ATOM 925 OE2 GLU A 62 6.669 17.499 -7.007 1.00 0.00 O ATOM 0 H GLU A 62 5.198 22.245 -4.336 1.00 0.00 H new ATOM 0 HA GLU A 62 7.384 20.317 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.414 21.742 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.943 21.200 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.526 19.184 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.692 19.621 -7.011 1.00 0.00 H new ATOM 932 N GLU A 63 8.821 22.211 -6.137 1.00 0.00 N ATOM 933 CA GLU A 63 9.883 23.183 -6.339 1.00 0.00 C ATOM 934 C GLU A 63 9.301 24.510 -6.828 1.00 0.00 C ATOM 935 O GLU A 63 9.842 25.575 -6.534 1.00 0.00 O ATOM 936 CB GLU A 63 10.933 22.651 -7.316 1.00 0.00 C ATOM 937 CG GLU A 63 12.099 22.002 -6.568 1.00 0.00 C ATOM 938 CD GLU A 63 12.941 23.055 -5.845 1.00 0.00 C ATOM 939 OE1 GLU A 63 13.376 24.004 -6.533 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.132 22.887 -4.621 1.00 0.00 O ATOM 0 H GLU A 63 8.813 21.442 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 63 10.378 23.356 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.476 21.923 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.304 23.467 -7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.716 21.280 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.724 21.451 -7.270 1.00 0.00 H new ATOM 947 N ASN A 64 8.206 24.404 -7.567 1.00 0.00 N ATOM 948 CA ASN A 64 7.545 25.583 -8.100 1.00 0.00 C ATOM 949 C ASN A 64 6.029 25.394 -8.017 1.00 0.00 C ATOM 950 O ASN A 64 5.327 25.534 -9.017 1.00 0.00 O ATOM 951 CB ASN A 64 7.914 25.806 -9.568 1.00 0.00 C ATOM 952 CG ASN A 64 9.182 26.653 -9.692 1.00 0.00 C ATOM 953 OD1 ASN A 64 10.034 26.674 -8.818 1.00 0.00 O ATOM 954 ND2 ASN A 64 9.259 27.348 -10.823 1.00 0.00 N ATOM 0 H ASN A 64 7.760 23.519 -7.809 1.00 0.00 H new ATOM 0 HA ASN A 64 7.866 26.443 -7.513 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.065 24.845 -10.059 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.090 26.301 -10.083 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.067 27.945 -11.001 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.510 27.284 -11.513 1.00 0.00 H new ATOM 961 N GLY A 65 5.569 25.078 -6.815 1.00 0.00 N ATOM 962 CA GLY A 65 4.149 24.869 -6.588 1.00 0.00 C ATOM 963 C GLY A 65 3.915 23.727 -5.596 1.00 0.00 C ATOM 964 O GLY A 65 4.619 23.618 -4.593 1.00 0.00 O ATOM 0 H GLY A 65 6.155 24.962 -5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.699 25.785 -6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.655 24.642 -7.533 1.00 0.00 H new ATOM 968 N GLU A 66 2.924 22.906 -5.911 1.00 0.00 N ATOM 969 CA GLU A 66 2.588 21.778 -5.060 1.00 0.00 C ATOM 970 C GLU A 66 1.789 20.738 -5.848 1.00 0.00 C ATOM 971 O GLU A 66 1.360 21.000 -6.971 1.00 0.00 O ATOM 972 CB GLU A 66 1.818 22.236 -3.820 1.00 0.00 C ATOM 973 CG GLU A 66 0.344 22.477 -4.148 1.00 0.00 C ATOM 974 CD GLU A 66 0.196 23.396 -5.363 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.396 24.616 -5.180 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.115 22.857 -6.447 1.00 0.00 O ATOM 0 H GLU A 66 2.343 23.000 -6.744 1.00 0.00 H new ATOM 0 HA GLU A 66 3.515 21.315 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.901 21.482 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.262 23.152 -3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.149 21.525 -4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.156 22.922 -3.288 1.00 0.00 H new ATOM 983 N ARG A 67 1.614 19.579 -5.230 1.00 0.00 N ATOM 984 CA ARG A 67 0.874 18.499 -5.859 1.00 0.00 C ATOM 985 C ARG A 67 0.052 17.740 -4.816 1.00 0.00 C ATOM 986 O ARG A 67 0.479 17.592 -3.672 1.00 0.00 O ATOM 987 CB ARG A 67 1.818 17.522 -6.564 1.00 0.00 C ATOM 988 CG ARG A 67 1.052 16.315 -7.109 1.00 0.00 C ATOM 989 CD ARG A 67 1.796 15.678 -8.284 1.00 0.00 C ATOM 990 NE ARG A 67 0.865 15.460 -9.414 1.00 0.00 N ATOM 991 CZ ARG A 67 0.432 16.432 -10.229 1.00 0.00 C ATOM 992 NH1 ARG A 67 0.843 17.694 -10.044 1.00 0.00 N ATOM 993 NH2 ARG A 67 -0.412 16.142 -11.228 1.00 0.00 N ATOM 0 H ARG A 67 1.972 19.365 -4.299 1.00 0.00 H new ATOM 0 HA ARG A 67 0.208 18.941 -6.599 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.330 18.031 -7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.585 17.185 -5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.917 15.578 -6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.057 16.625 -7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.617 16.323 -8.598 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.235 14.729 -7.976 1.00 0.00 H new ATOM 0 HE ARG A 67 0.532 14.511 -9.583 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.485 17.915 -9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.514 18.434 -10.664 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.725 15.181 -11.368 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.742 16.882 -11.848 1.00 0.00 H new ATOM 1007 N VAL A 68 -1.113 17.279 -5.248 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.999 16.539 -4.365 1.00 0.00 C ATOM 1009 C VAL A 68 -1.729 15.041 -4.518 1.00 0.00 C ATOM 1010 O VAL A 68 -2.258 14.401 -5.426 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.454 16.917 -4.648 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.415 16.034 -3.848 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.702 18.399 -4.359 1.00 0.00 C ATOM 0 H VAL A 68 -1.464 17.404 -6.198 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.807 16.799 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.645 16.746 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.443 16.323 -4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.265 14.990 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.222 16.159 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.744 18.641 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.485 18.607 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.054 19.006 -4.991 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.906 14.525 -3.616 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.560 13.114 -3.640 1.00 0.00 C ATOM 1025 C LEU A 69 -1.838 12.278 -3.546 1.00 0.00 C ATOM 1026 O LEU A 69 -2.124 11.474 -4.431 1.00 0.00 O ATOM 1027 CB LEU A 69 0.464 12.796 -2.549 1.00 0.00 C ATOM 1028 CG LEU A 69 1.711 13.683 -2.520 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.590 13.354 -1.311 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.485 13.584 -3.836 1.00 0.00 C ATOM 0 H LEU A 69 -0.469 15.059 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.078 12.856 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.032 12.868 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.782 11.760 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 69 1.391 14.719 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.469 13.998 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.024 13.517 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.904 12.311 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.366 14.224 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.794 12.552 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.847 13.906 -4.659 1.00 0.00 H new ATOM 1042 N MET A 70 -2.573 12.498 -2.465 1.00 0.00 N ATOM 1043 CA MET A 70 -3.813 11.775 -2.244 1.00 0.00 C ATOM 1044 C MET A 70 -4.924 12.720 -1.783 1.00 0.00 C ATOM 1045 O MET A 70 -4.698 13.582 -0.935 1.00 0.00 O ATOM 1046 CB MET A 70 -3.592 10.692 -1.186 1.00 0.00 C ATOM 1047 CG MET A 70 -4.908 10.000 -0.827 1.00 0.00 C ATOM 1048 SD MET A 70 -4.617 8.734 0.398 1.00 0.00 S ATOM 1049 CE MET A 70 -6.301 8.314 0.816 1.00 0.00 C ATOM 0 H MET A 70 -2.333 13.167 -1.733 1.00 0.00 H new ATOM 0 HA MET A 70 -4.118 11.318 -3.186 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.879 9.956 -1.558 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.155 11.136 -0.292 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.620 10.731 -0.445 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.352 9.559 -1.719 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.421 8.328 1.899 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.979 9.039 0.366 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.532 7.318 0.438 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.101 12.527 -2.361 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.247 13.351 -2.020 1.00 0.00 C ATOM 1061 C GLU A 71 -8.523 12.764 -2.626 1.00 0.00 C ATOM 1062 O GLU A 71 -8.506 12.260 -3.748 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.038 14.797 -2.476 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.154 15.703 -1.953 1.00 0.00 C ATOM 1065 CD GLU A 71 -9.476 15.413 -2.667 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -9.417 15.152 -3.888 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -10.516 15.460 -1.975 1.00 0.00 O ATOM 0 H GLU A 71 -6.285 11.811 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.354 13.359 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.074 15.159 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.011 14.839 -3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.276 15.554 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.879 16.747 -2.100 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.599 12.848 -1.857 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.881 12.330 -2.304 1.00 0.00 C ATOM 1076 C GLY A 72 -11.793 12.022 -1.115 1.00 0.00 C ATOM 1077 O GLY A 72 -11.314 11.763 -0.012 1.00 0.00 O ATOM 0 H GLY A 72 -9.609 13.267 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.363 13.057 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.727 11.425 -2.892 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.090 12.061 -1.380 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.074 11.788 -0.345 1.00 0.00 C ATOM 1083 C LYS A 73 -13.884 10.360 0.170 1.00 0.00 C ATOM 1084 O LYS A 73 -13.923 9.407 -0.606 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.486 12.074 -0.860 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.906 11.043 -1.909 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.542 11.723 -3.123 1.00 0.00 C ATOM 1088 CE LYS A 73 -17.744 10.924 -3.632 1.00 0.00 C ATOM 1089 NZ LYS A 73 -17.299 9.829 -4.522 1.00 0.00 N ATOM 0 H LYS A 73 -13.483 12.277 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.928 12.455 0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.190 12.059 -0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.524 13.074 -1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.037 10.466 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.613 10.340 -1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.858 12.731 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.803 11.821 -3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.298 10.512 -2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.425 11.583 -4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.874 8.981 -4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.411 10.121 -5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.299 9.614 -4.335 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.682 10.258 1.475 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.486 8.962 2.103 1.00 0.00 C ATOM 1105 C LEU A 74 -14.727 8.096 1.873 1.00 0.00 C ATOM 1106 O LEU A 74 -15.616 8.470 1.110 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.119 9.131 3.578 1.00 0.00 C ATOM 1108 CG LEU A 74 -11.654 9.462 3.871 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -11.498 10.075 5.264 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.766 8.230 3.684 1.00 0.00 C ATOM 0 H LEU A 74 -13.650 11.051 2.115 1.00 0.00 H new ATOM 0 HA LEU A 74 -12.644 8.441 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.741 9.922 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.375 8.211 4.103 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.322 10.210 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.447 10.301 5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.082 10.993 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.853 9.368 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.730 8.492 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.089 7.442 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.846 7.877 2.656 1.00 0.00 H new ATOM 1122 N THR A 75 -14.747 6.957 2.548 1.00 0.00 N ATOM 1123 CA THR A 75 -15.864 6.035 2.428 1.00 0.00 C ATOM 1124 C THR A 75 -17.017 6.474 3.332 1.00 0.00 C ATOM 1125 O THR A 75 -18.184 6.317 2.975 1.00 0.00 O ATOM 1126 CB THR A 75 -15.351 4.627 2.738 1.00 0.00 C ATOM 1127 OG1 THR A 75 -14.770 4.747 4.034 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.180 4.220 1.841 1.00 0.00 C ATOM 0 H THR A 75 -14.007 6.651 3.180 1.00 0.00 H new ATOM 0 HA THR A 75 -16.268 6.033 1.416 1.00 0.00 H new ATOM 0 HB THR A 75 -16.164 3.910 2.621 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.802 4.608 3.973 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.854 3.213 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.497 4.240 0.798 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.354 4.917 1.983 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.651 7.015 4.484 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.641 7.478 5.442 1.00 0.00 C ATOM 1138 C HIS A 76 -16.976 8.408 6.458 1.00 0.00 C ATOM 1139 O HIS A 76 -15.807 8.760 6.311 1.00 0.00 O ATOM 1140 CB HIS A 76 -18.355 6.295 6.099 1.00 0.00 C ATOM 1141 CG HIS A 76 -19.429 5.672 5.240 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -19.237 4.497 4.534 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -20.708 6.072 4.982 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -20.356 4.213 3.883 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -21.266 5.190 4.162 1.00 0.00 N ATOM 0 H HIS A 76 -15.682 7.143 4.776 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.411 8.052 4.927 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -17.617 5.533 6.350 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -18.801 6.628 7.036 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -21.185 6.956 5.378 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -20.519 3.358 3.244 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -22.219 5.235 3.800 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.750 8.780 7.467 1.00 0.00 N ATOM 1154 CA LYS A 77 -17.251 9.663 8.508 1.00 0.00 C ATOM 1155 C LYS A 77 -16.214 8.916 9.350 1.00 0.00 C ATOM 1156 O LYS A 77 -16.116 7.692 9.278 1.00 0.00 O ATOM 1157 CB LYS A 77 -18.410 10.236 9.326 1.00 0.00 C ATOM 1158 CG LYS A 77 -18.908 11.551 8.724 1.00 0.00 C ATOM 1159 CD LYS A 77 -18.692 11.578 7.210 1.00 0.00 C ATOM 1160 CE LYS A 77 -19.674 12.536 6.532 1.00 0.00 C ATOM 1161 NZ LYS A 77 -20.155 11.967 5.254 1.00 0.00 N ATOM 0 H LYS A 77 -18.719 8.486 7.586 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.746 10.523 8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.227 9.515 9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.087 10.402 10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.968 11.678 8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.383 12.388 9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.669 11.885 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -18.818 10.575 6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.520 12.727 7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.189 13.495 6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.820 12.630 4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.347 11.807 4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.636 11.063 5.436 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.467 9.685 10.128 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.441 9.111 10.983 1.00 0.00 C ATOM 1177 C ILE A 78 -14.222 10.023 12.192 1.00 0.00 C ATOM 1178 O ILE A 78 -14.961 10.986 12.389 1.00 0.00 O ATOM 1179 CB ILE A 78 -13.167 8.838 10.181 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.639 10.121 9.535 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -13.394 7.729 9.151 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.439 10.670 10.308 1.00 0.00 C ATOM 0 H ILE A 78 -15.551 10.700 10.185 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.763 8.143 11.367 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.399 8.485 10.870 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.351 9.921 8.503 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.430 10.870 9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.473 7.555 8.595 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -13.688 6.812 9.662 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -14.183 8.029 8.461 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.083 11.582 9.828 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.737 10.892 11.333 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.640 9.928 10.315 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.205 9.686 12.970 1.00 0.00 N ATOM 1195 CA ASN A 79 -12.880 10.463 14.155 1.00 0.00 C ATOM 1196 C ASN A 79 -11.604 11.267 13.898 1.00 0.00 C ATOM 1197 O ASN A 79 -10.509 10.829 14.247 1.00 0.00 O ATOM 1198 CB ASN A 79 -12.630 9.552 15.359 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.660 9.805 16.461 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -14.232 10.877 16.577 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -13.864 8.763 17.262 1.00 0.00 N ATOM 0 H ASN A 79 -12.595 8.886 12.804 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.722 11.121 14.369 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -12.676 8.509 15.046 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.626 9.724 15.748 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.533 8.833 18.029 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -13.352 7.894 17.109 1.00 0.00 H new ATOM 1208 N THR A 80 -11.788 12.430 13.290 1.00 0.00 N ATOM 1209 CA THR A 80 -10.666 13.300 12.983 1.00 0.00 C ATOM 1210 C THR A 80 -9.790 13.498 14.221 1.00 0.00 C ATOM 1211 O THR A 80 -8.567 13.387 14.145 1.00 0.00 O ATOM 1212 CB THR A 80 -11.222 14.608 12.417 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.384 14.860 13.203 1.00 0.00 O ATOM 1214 CG2 THR A 80 -11.763 14.448 10.995 1.00 0.00 C ATOM 0 H THR A 80 -12.698 12.790 13.002 1.00 0.00 H new ATOM 0 HA THR A 80 -10.015 12.854 12.231 1.00 0.00 H new ATOM 0 HB THR A 80 -10.440 15.368 12.425 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.807 15.692 12.904 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.145 15.406 10.641 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.962 14.112 10.337 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.568 13.713 10.992 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.449 13.787 15.333 1.00 0.00 N ATOM 1223 CA GLU A 81 -9.745 14.002 16.586 1.00 0.00 C ATOM 1224 C GLU A 81 -8.770 12.853 16.850 1.00 0.00 C ATOM 1225 O GLU A 81 -7.577 13.081 17.050 1.00 0.00 O ATOM 1226 CB GLU A 81 -10.729 14.163 17.747 1.00 0.00 C ATOM 1227 CG GLU A 81 -11.496 15.482 17.636 1.00 0.00 C ATOM 1228 CD GLU A 81 -12.286 15.766 18.916 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -11.630 16.099 19.926 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -13.529 15.644 18.854 1.00 0.00 O ATOM 0 H GLU A 81 -11.463 13.877 15.393 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.174 14.927 16.506 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.431 13.329 17.752 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.189 14.131 18.693 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.798 16.298 17.446 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.177 15.441 16.786 1.00 0.00 H new ATOM 1237 N SER A 82 -9.312 11.645 16.842 1.00 0.00 N ATOM 1238 CA SER A 82 -8.504 10.460 17.079 1.00 0.00 C ATOM 1239 C SER A 82 -7.509 10.269 15.933 1.00 0.00 C ATOM 1240 O SER A 82 -6.393 9.797 16.147 1.00 0.00 O ATOM 1241 CB SER A 82 -9.382 9.216 17.232 1.00 0.00 C ATOM 1242 OG SER A 82 -8.640 8.095 17.705 1.00 0.00 O ATOM 0 H SER A 82 -10.301 11.460 16.675 1.00 0.00 H new ATOM 0 HA SER A 82 -7.955 10.601 18.010 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.197 9.430 17.924 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.835 8.972 16.271 1.00 0.00 H new ATOM 0 HG SER A 82 -9.227 7.512 18.229 1.00 0.00 H new ATOM 1248 N SER A 83 -7.948 10.645 14.740 1.00 0.00 N ATOM 1249 CA SER A 83 -7.109 10.521 13.560 1.00 0.00 C ATOM 1250 C SER A 83 -5.942 11.507 13.642 1.00 0.00 C ATOM 1251 O SER A 83 -6.151 12.709 13.799 1.00 0.00 O ATOM 1252 CB SER A 83 -7.917 10.758 12.283 1.00 0.00 C ATOM 1253 OG SER A 83 -8.950 9.791 12.117 1.00 0.00 O ATOM 0 H SER A 83 -8.874 11.036 14.566 1.00 0.00 H new ATOM 0 HA SER A 83 -6.715 9.505 13.525 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.356 11.755 12.312 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.250 10.728 11.421 1.00 0.00 H new ATOM 0 HG SER A 83 -9.661 9.956 12.771 1.00 0.00 H new ATOM 1259 N LEU A 84 -4.740 10.962 13.530 1.00 0.00 N ATOM 1260 CA LEU A 84 -3.540 11.779 13.588 1.00 0.00 C ATOM 1261 C LEU A 84 -2.891 11.825 12.203 1.00 0.00 C ATOM 1262 O LEU A 84 -3.378 11.197 11.265 1.00 0.00 O ATOM 1263 CB LEU A 84 -2.603 11.278 14.690 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.277 9.783 14.663 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -1.713 9.369 13.302 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -1.338 9.407 15.811 1.00 0.00 C ATOM 0 H LEU A 84 -4.571 9.965 13.399 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.791 12.805 13.857 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.668 11.835 14.626 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.050 11.515 15.655 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.204 9.228 14.809 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.490 8.302 13.310 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.447 9.580 12.524 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.800 9.929 13.101 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.122 8.339 15.769 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.409 9.969 15.720 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.814 9.644 16.763 1.00 0.00 H new ATOM 1278 N TRP A 85 -1.802 12.575 12.120 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.081 12.711 10.865 1.00 0.00 C ATOM 1280 C TRP A 85 0.294 13.308 11.172 1.00 0.00 C ATOM 1281 O TRP A 85 0.390 14.407 11.715 1.00 0.00 O ATOM 1282 CB TRP A 85 -1.883 13.542 9.860 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.410 14.991 9.733 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -1.860 16.067 10.393 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.369 15.483 8.862 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.189 17.211 10.013 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.254 16.845 9.053 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.447 14.799 7.944 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.667 17.640 8.360 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.363 15.608 7.261 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.491 16.981 7.440 1.00 0.00 C ATOM 0 H TRP A 85 -1.401 13.095 12.901 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.941 11.739 10.393 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.826 13.065 8.882 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -2.932 13.538 10.156 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -2.649 16.042 11.130 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.350 18.152 10.371 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.373 13.734 7.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.738 18.705 8.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.016 15.132 6.545 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.223 17.536 6.872 1.00 0.00 H new ATOM 1302 N SER A 86 1.323 12.556 10.810 1.00 0.00 N ATOM 1303 CA SER A 86 2.689 12.997 11.040 1.00 0.00 C ATOM 1304 C SER A 86 3.486 12.933 9.736 1.00 0.00 C ATOM 1305 O SER A 86 3.432 11.934 9.019 1.00 0.00 O ATOM 1306 CB SER A 86 3.367 12.150 12.119 1.00 0.00 C ATOM 1307 OG SER A 86 2.669 12.208 13.360 1.00 0.00 O ATOM 0 H SER A 86 1.239 11.645 10.359 1.00 0.00 H new ATOM 0 HA SER A 86 2.661 14.029 11.391 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.425 11.114 11.784 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.390 12.497 12.262 1.00 0.00 H new ATOM 0 HG SER A 86 3.132 11.653 14.022 1.00 0.00 H new ATOM 1313 N LEU A 87 4.207 14.011 9.467 1.00 0.00 N ATOM 1314 CA LEU A 87 5.015 14.090 8.261 1.00 0.00 C ATOM 1315 C LEU A 87 6.430 13.596 8.567 1.00 0.00 C ATOM 1316 O LEU A 87 6.947 13.820 9.661 1.00 0.00 O ATOM 1317 CB LEU A 87 4.969 15.503 7.677 1.00 0.00 C ATOM 1318 CG LEU A 87 6.016 15.821 6.608 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.387 16.070 7.239 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.066 14.721 5.545 1.00 0.00 C ATOM 0 H LEU A 87 4.249 14.838 10.063 1.00 0.00 H new ATOM 0 HA LEU A 87 4.610 13.437 7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.980 15.666 7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.084 16.216 8.493 1.00 0.00 H new ATOM 0 HG LEU A 87 5.721 16.742 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.112 16.294 6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.323 16.913 7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.704 15.181 7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.818 14.972 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.324 13.772 6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.091 14.635 5.065 1.00 0.00 H new ATOM 1332 N GLU A 88 7.017 12.933 7.582 1.00 0.00 N ATOM 1333 CA GLU A 88 8.363 12.406 7.732 1.00 0.00 C ATOM 1334 C GLU A 88 9.276 12.962 6.638 1.00 0.00 C ATOM 1335 O GLU A 88 8.898 13.000 5.468 1.00 0.00 O ATOM 1336 CB GLU A 88 8.357 10.876 7.715 1.00 0.00 C ATOM 1337 CG GLU A 88 7.506 10.318 8.858 1.00 0.00 C ATOM 1338 CD GLU A 88 8.312 9.343 9.717 1.00 0.00 C ATOM 1339 OE1 GLU A 88 8.632 8.254 9.192 1.00 0.00 O ATOM 1340 OE2 GLU A 88 8.591 9.708 10.880 1.00 0.00 O ATOM 0 H GLU A 88 6.585 12.748 6.676 1.00 0.00 H new ATOM 0 HA GLU A 88 8.751 12.725 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.968 10.521 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.378 10.504 7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.141 11.137 9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.631 9.811 8.451 1.00 0.00 H new ATOM 1347 N PRO A 89 10.492 13.392 7.068 1.00 0.00 N ATOM 1348 CA PRO A 89 11.463 13.945 6.139 1.00 0.00 C ATOM 1349 C PRO A 89 12.111 12.841 5.301 1.00 0.00 C ATOM 1350 O PRO A 89 12.673 11.892 5.847 1.00 0.00 O ATOM 1351 CB PRO A 89 12.459 14.693 7.009 1.00 0.00 C ATOM 1352 CG PRO A 89 12.277 14.146 8.416 1.00 0.00 C ATOM 1353 CD PRO A 89 10.974 13.363 8.446 1.00 0.00 C ATOM 0 HA PRO A 89 11.011 14.616 5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.479 14.536 6.658 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.273 15.767 6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.115 13.504 8.687 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.251 14.959 9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.134 12.341 8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.254 13.818 9.127 1.00 0.00 H new ATOM 1361 N GLY A 90 12.011 13.001 3.990 1.00 0.00 N ATOM 1362 CA GLY A 90 12.580 12.029 3.072 1.00 0.00 C ATOM 1363 C GLY A 90 12.087 10.617 3.392 1.00 0.00 C ATOM 1364 O GLY A 90 12.878 9.676 3.447 1.00 0.00 O ATOM 0 H GLY A 90 11.544 13.789 3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.310 12.289 2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.668 12.060 3.132 1.00 0.00 H new ATOM 1368 N LYS A 91 10.782 10.513 3.596 1.00 0.00 N ATOM 1369 CA LYS A 91 10.173 9.231 3.910 1.00 0.00 C ATOM 1370 C LYS A 91 8.779 9.167 3.283 1.00 0.00 C ATOM 1371 O LYS A 91 8.644 8.956 2.079 1.00 0.00 O ATOM 1372 CB LYS A 91 10.180 8.990 5.420 1.00 0.00 C ATOM 1373 CG LYS A 91 11.478 8.311 5.861 1.00 0.00 C ATOM 1374 CD LYS A 91 11.225 6.859 6.274 1.00 0.00 C ATOM 1375 CE LYS A 91 11.573 6.639 7.747 1.00 0.00 C ATOM 1376 NZ LYS A 91 10.679 5.622 8.344 1.00 0.00 N ATOM 0 H LYS A 91 10.129 11.295 3.550 1.00 0.00 H new ATOM 0 HA LYS A 91 10.755 8.417 3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.066 9.939 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.328 8.369 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.203 8.340 5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.914 8.860 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.179 6.605 6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.821 6.191 5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.611 6.318 7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.481 7.578 8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.929 5.485 9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.692 5.943 8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.787 4.722 7.834 1.00 0.00 H new ATOM 1390 N CYS A 92 7.776 9.352 4.129 1.00 0.00 N ATOM 1391 CA CYS A 92 6.396 9.318 3.673 1.00 0.00 C ATOM 1392 C CYS A 92 5.517 9.949 4.755 1.00 0.00 C ATOM 1393 O CYS A 92 6.006 10.310 5.824 1.00 0.00 O ATOM 1394 CB CYS A 92 5.949 7.895 3.332 1.00 0.00 C ATOM 1395 SG CYS A 92 6.738 6.700 4.472 1.00 0.00 S ATOM 0 H CYS A 92 7.891 9.526 5.127 1.00 0.00 H new ATOM 0 HA CYS A 92 6.300 9.890 2.750 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.864 7.818 3.406 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.216 7.658 2.302 1.00 0.00 H new ATOM 0 HG CYS A 92 6.350 5.495 4.175 1.00 0.00 H new ATOM 1401 N VAL A 93 4.236 10.062 4.439 1.00 0.00 N ATOM 1402 CA VAL A 93 3.284 10.643 5.370 1.00 0.00 C ATOM 1403 C VAL A 93 2.491 9.524 6.047 1.00 0.00 C ATOM 1404 O VAL A 93 2.089 8.561 5.395 1.00 0.00 O ATOM 1405 CB VAL A 93 2.392 11.653 4.645 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.331 12.225 5.588 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.227 12.771 4.018 1.00 0.00 C ATOM 0 H VAL A 93 3.835 9.761 3.551 1.00 0.00 H new ATOM 0 HA VAL A 93 3.804 11.193 6.154 1.00 0.00 H new ATOM 0 HB VAL A 93 1.877 11.127 3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.711 12.940 5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.706 11.416 5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.819 12.727 6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.569 13.475 3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.782 13.292 4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.926 12.344 3.299 1.00 0.00 H new ATOM 1417 N LEU A 94 2.289 9.687 7.346 1.00 0.00 N ATOM 1418 CA LEU A 94 1.552 8.702 8.119 1.00 0.00 C ATOM 1419 C LEU A 94 0.232 9.315 8.591 1.00 0.00 C ATOM 1420 O LEU A 94 0.213 10.428 9.115 1.00 0.00 O ATOM 1421 CB LEU A 94 2.417 8.155 9.255 1.00 0.00 C ATOM 1422 CG LEU A 94 1.892 6.899 9.954 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.487 7.131 10.514 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.944 5.689 9.020 1.00 0.00 C ATOM 0 H LEU A 94 2.623 10.487 7.883 1.00 0.00 H new ATOM 0 HA LEU A 94 1.301 7.841 7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.408 7.938 8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.538 8.939 10.003 1.00 0.00 H new ATOM 0 HG LEU A 94 2.544 6.681 10.800 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.137 6.223 11.006 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.513 7.948 11.236 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.191 7.388 9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.565 4.810 9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.330 5.882 8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.974 5.512 8.711 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.839 8.562 8.389 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.160 9.017 8.788 1.00 0.00 C ATOM 1438 C VAL A 95 -2.932 7.850 9.407 1.00 0.00 C ATOM 1439 O VAL A 95 -2.803 6.710 8.962 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.881 9.643 7.593 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.358 9.888 7.910 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.192 10.937 7.154 1.00 0.00 C ATOM 0 H VAL A 95 -0.819 7.640 7.954 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.082 9.795 9.548 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.830 8.938 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.847 10.334 7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.840 8.941 8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.440 10.564 8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.724 11.362 6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.198 11.650 7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.163 10.722 6.868 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.717 8.174 10.424 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.509 7.167 11.109 1.00 0.00 C ATOM 1454 C ASN A 96 -5.976 7.601 11.124 1.00 0.00 C ATOM 1455 O ASN A 96 -6.296 8.705 11.564 1.00 0.00 O ATOM 1456 CB ASN A 96 -4.051 6.997 12.558 1.00 0.00 C ATOM 1457 CG ASN A 96 -3.020 5.873 12.680 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -3.300 4.789 13.164 1.00 0.00 O ATOM 1459 ND2 ASN A 96 -1.816 6.192 12.215 1.00 0.00 N ATOM 0 H ASN A 96 -3.821 9.120 10.790 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.384 6.223 10.579 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.620 7.931 12.919 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.911 6.777 13.191 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.058 5.510 12.251 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.650 7.119 11.822 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.829 6.711 10.638 1.00 0.00 N ATOM 1467 CA LEU A 97 -8.254 6.989 10.591 1.00 0.00 C ATOM 1468 C LEU A 97 -8.969 6.152 11.653 1.00 0.00 C ATOM 1469 O LEU A 97 -8.952 4.923 11.595 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.795 6.777 9.175 1.00 0.00 C ATOM 1471 CG LEU A 97 -8.142 7.617 8.075 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -9.073 7.761 6.870 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -7.692 8.976 8.617 1.00 0.00 C ATOM 0 H LEU A 97 -6.560 5.797 10.273 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.445 8.036 10.828 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.680 5.724 8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.864 6.989 9.180 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.249 7.095 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.585 8.362 6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.302 6.774 6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.997 8.249 7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.231 9.553 7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.555 9.517 9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.968 8.827 9.418 1.00 0.00 H new ATOM 1485 N SER A 98 -9.580 6.850 12.599 1.00 0.00 N ATOM 1486 CA SER A 98 -10.299 6.186 13.673 1.00 0.00 C ATOM 1487 C SER A 98 -11.761 5.977 13.273 1.00 0.00 C ATOM 1488 O SER A 98 -12.461 6.933 12.943 1.00 0.00 O ATOM 1489 CB SER A 98 -10.214 6.990 14.972 1.00 0.00 C ATOM 1490 OG SER A 98 -10.716 6.258 16.087 1.00 0.00 O ATOM 0 H SER A 98 -9.592 7.869 12.644 1.00 0.00 H new ATOM 0 HA SER A 98 -9.834 5.216 13.847 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.177 7.269 15.159 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.778 7.916 14.863 1.00 0.00 H new ATOM 0 HG SER A 98 -10.643 6.805 16.897 1.00 0.00 H new ATOM 1496 N LYS A 99 -12.179 4.721 13.315 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.545 4.374 12.962 1.00 0.00 C ATOM 1498 C LYS A 99 -14.489 4.844 14.070 1.00 0.00 C ATOM 1499 O LYS A 99 -14.259 4.566 15.246 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.655 2.880 12.652 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.497 2.416 11.766 1.00 0.00 C ATOM 1502 CD LYS A 99 -13.014 1.664 10.538 1.00 0.00 C ATOM 1503 CE LYS A 99 -12.253 0.352 10.338 1.00 0.00 C ATOM 1504 NZ LYS A 99 -12.923 -0.752 11.061 1.00 0.00 N ATOM 0 H LYS A 99 -11.595 3.930 13.588 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.845 4.888 12.049 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.656 2.311 13.582 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.603 2.677 12.153 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.909 3.277 11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.832 1.770 12.339 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.078 1.457 10.655 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.906 2.290 9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.196 0.116 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.229 0.460 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.310 -1.592 11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.108 -0.462 12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.823 -0.978 10.592 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.532 5.549 13.655 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.512 6.060 14.598 1.00 0.00 C ATOM 1520 C VAL A 100 -17.588 4.999 14.835 1.00 0.00 C ATOM 1521 O VAL A 100 -18.780 5.299 14.798 1.00 0.00 O ATOM 1522 CB VAL A 100 -17.082 7.387 14.093 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -15.963 8.391 13.808 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -17.954 7.173 12.854 1.00 0.00 C ATOM 0 H VAL A 100 -15.719 5.778 12.679 1.00 0.00 H new ATOM 0 HA VAL A 100 -16.043 6.268 15.560 1.00 0.00 H new ATOM 0 HB VAL A 100 -17.713 7.802 14.879 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -16.395 9.326 13.450 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.400 8.578 14.723 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.295 7.986 13.048 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -18.347 8.132 12.515 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -17.355 6.725 12.061 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -18.782 6.509 13.102 1.00 0.00 H new ATOM 1534 N GLY A 101 -17.129 3.779 15.072 1.00 0.00 N ATOM 1535 CA GLY A 101 -18.037 2.671 15.315 1.00 0.00 C ATOM 1536 C GLY A 101 -17.486 1.371 14.726 1.00 0.00 C ATOM 1537 O GLY A 101 -16.293 1.091 14.839 1.00 0.00 O ATOM 0 H GLY A 101 -16.139 3.533 15.101 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -18.192 2.552 16.387 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -19.010 2.890 14.875 1.00 0.00 H new ATOM 1541 N GLU A 102 -18.380 0.611 14.111 1.00 0.00 N ATOM 1542 CA GLU A 102 -17.998 -0.653 13.505 1.00 0.00 C ATOM 1543 C GLU A 102 -18.465 -0.706 12.049 1.00 0.00 C ATOM 1544 O GLU A 102 -19.603 -1.083 11.772 1.00 0.00 O ATOM 1545 CB GLU A 102 -18.554 -1.834 14.303 1.00 0.00 C ATOM 1546 CG GLU A 102 -20.062 -1.691 14.515 1.00 0.00 C ATOM 1547 CD GLU A 102 -20.765 -3.044 14.384 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -20.453 -3.753 13.402 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -21.598 -3.339 15.268 1.00 0.00 O ATOM 0 H GLU A 102 -19.368 0.846 14.019 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.911 -0.727 13.520 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.344 -2.765 13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.052 -1.894 15.268 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -20.256 -1.270 15.502 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -20.471 -0.993 13.785 1.00 0.00 H new ATOM 1556 N TYR A 103 -17.564 -0.323 11.157 1.00 0.00 N ATOM 1557 CA TYR A 103 -17.869 -0.323 9.737 1.00 0.00 C ATOM 1558 C TYR A 103 -16.795 -1.070 8.944 1.00 0.00 C ATOM 1559 O TYR A 103 -15.657 -1.190 9.395 1.00 0.00 O ATOM 1560 CB TYR A 103 -17.874 1.146 9.307 1.00 0.00 C ATOM 1561 CG TYR A 103 -19.002 1.972 9.928 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -20.233 2.037 9.307 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -18.788 2.653 11.109 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -21.295 2.814 9.892 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -19.850 3.431 11.694 1.00 0.00 C ATOM 1566 CZ TYR A 103 -21.051 3.473 11.056 1.00 0.00 C ATOM 1567 OH TYR A 103 -22.053 4.208 11.609 1.00 0.00 O ATOM 0 H TYR A 103 -16.622 -0.010 11.391 1.00 0.00 H new ATOM 0 HA TYR A 103 -18.822 -0.817 9.550 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -16.918 1.596 9.575 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -17.956 1.196 8.221 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -20.400 1.505 8.382 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -17.825 2.603 11.595 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -22.263 2.872 9.417 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -19.696 3.969 12.618 1.00 0.00 H new ATOM 0 HH TYR A 103 -21.736 4.622 12.439 1.00 0.00 H new ATOM 1577 N TRP A 104 -17.195 -1.553 7.777 1.00 0.00 N ATOM 1578 CA TRP A 104 -16.281 -2.286 6.918 1.00 0.00 C ATOM 1579 C TRP A 104 -15.682 -1.299 5.914 1.00 0.00 C ATOM 1580 O TRP A 104 -16.383 -0.798 5.036 1.00 0.00 O ATOM 1581 CB TRP A 104 -16.985 -3.467 6.247 1.00 0.00 C ATOM 1582 CG TRP A 104 -18.067 -3.058 5.244 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -17.974 -3.001 3.909 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -19.416 -2.649 5.554 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -19.160 -2.587 3.337 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -20.064 -2.366 4.369 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -20.066 -2.522 6.794 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -21.396 -1.938 4.308 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -21.397 -2.094 6.715 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -22.064 -1.805 5.531 1.00 0.00 C ATOM 0 H TRP A 104 -18.140 -1.451 7.406 1.00 0.00 H new ATOM 0 HA TRP A 104 -15.472 -2.724 7.502 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -16.241 -4.077 5.735 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -17.436 -4.093 7.017 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -17.083 -3.248 3.350 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -19.340 -2.466 2.340 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -19.578 -2.737 7.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -21.882 -1.722 3.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -21.944 -1.981 7.640 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -23.093 -1.479 5.554 1.00 0.00 H new ATOM 1601 N TRP A 105 -14.391 -1.048 6.077 1.00 0.00 N ATOM 1602 CA TRP A 105 -13.690 -0.129 5.197 1.00 0.00 C ATOM 1603 C TRP A 105 -13.000 -0.952 4.107 1.00 0.00 C ATOM 1604 O TRP A 105 -11.805 -1.228 4.195 1.00 0.00 O ATOM 1605 CB TRP A 105 -12.719 0.752 5.985 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.382 1.943 6.679 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.212 1.927 7.731 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.236 3.335 6.326 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.611 3.201 8.080 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -13.999 4.085 7.199 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.486 3.940 5.303 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -14.084 5.481 7.137 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.582 5.336 5.255 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -13.344 6.106 6.126 1.00 0.00 C ATOM 0 H TRP A 105 -13.812 -1.465 6.806 1.00 0.00 H new ATOM 0 HA TRP A 105 -14.389 0.560 4.723 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -12.217 0.141 6.735 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -11.949 1.122 5.308 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.529 1.030 8.242 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -15.240 3.449 8.844 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -11.883 3.373 4.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.688 6.046 7.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -12.024 5.851 4.487 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -13.365 7.181 6.023 1.00 0.00 H new ATOM 1625 N ASN A 106 -13.784 -1.322 3.104 1.00 0.00 N ATOM 1626 CA ASN A 106 -13.264 -2.108 1.999 1.00 0.00 C ATOM 1627 C ASN A 106 -12.494 -1.192 1.045 1.00 0.00 C ATOM 1628 O ASN A 106 -11.966 -1.648 0.032 1.00 0.00 O ATOM 1629 CB ASN A 106 -14.397 -2.767 1.210 1.00 0.00 C ATOM 1630 CG ASN A 106 -14.804 -4.099 1.843 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -14.059 -4.714 2.588 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -16.024 -4.508 1.507 1.00 0.00 N ATOM 0 H ASN A 106 -14.775 -1.092 3.034 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.615 -2.881 2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.257 -2.099 1.176 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.080 -2.932 0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.388 -5.385 1.878 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.596 -3.944 0.878 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.456 0.083 1.402 1.00 0.00 N ATOM 1640 CA ALA A 107 -11.760 1.067 0.591 1.00 0.00 C ATOM 1641 C ALA A 107 -11.589 2.357 1.396 1.00 0.00 C ATOM 1642 O ALA A 107 -12.156 2.497 2.478 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.530 1.291 -0.713 1.00 0.00 C ATOM 0 H ALA A 107 -12.896 0.458 2.242 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.765 0.710 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.008 2.029 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.598 0.351 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.533 1.652 -0.486 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.805 3.267 0.836 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.552 4.540 1.488 1.00 0.00 C ATOM 1651 C ILE A 108 -11.477 5.605 0.895 1.00 0.00 C ATOM 1652 O ILE A 108 -12.200 6.280 1.626 1.00 0.00 O ATOM 1653 CB ILE A 108 -9.067 4.900 1.404 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.200 3.795 2.010 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.795 6.261 2.049 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.098 3.949 3.529 1.00 0.00 C ATOM 0 H ILE A 108 -10.337 3.147 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.781 4.475 2.552 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.795 4.982 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.624 2.821 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.203 3.827 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.732 6.493 1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.370 7.030 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.088 6.231 3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.476 3.151 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.651 4.914 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.094 3.892 3.968 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.425 5.720 -0.423 1.00 0.00 N ATOM 1669 CA LEU A 109 -12.249 6.691 -1.123 1.00 0.00 C ATOM 1670 C LEU A 109 -13.423 5.971 -1.790 1.00 0.00 C ATOM 1671 O LEU A 109 -13.345 4.774 -2.066 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.401 7.514 -2.094 1.00 0.00 C ATOM 1673 CG LEU A 109 -10.151 8.170 -1.503 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.418 9.001 -2.558 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.501 8.997 -0.264 1.00 0.00 C ATOM 0 H LEU A 109 -10.825 5.157 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.672 7.408 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.094 6.867 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -12.029 8.295 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.469 7.382 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.534 9.456 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.117 8.357 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.080 9.783 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.596 9.453 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.210 9.778 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.947 8.350 0.491 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.483 6.729 -2.029 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.671 6.178 -2.658 1.00 0.00 C ATOM 1689 C GLU A 110 -15.378 5.809 -4.113 1.00 0.00 C ATOM 1690 O GLU A 110 -16.134 5.061 -4.732 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.844 7.156 -2.565 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.497 7.099 -1.183 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.941 7.604 -1.238 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.805 6.806 -1.660 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -19.146 8.776 -0.857 1.00 0.00 O ATOM 0 H GLU A 110 -14.544 7.721 -1.798 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.954 5.271 -2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -16.494 8.169 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -17.583 6.917 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.480 6.075 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -16.923 7.703 -0.480 1.00 0.00 H new ATOM 1702 N GLY A 111 -14.279 6.350 -4.618 1.00 0.00 N ATOM 1703 CA GLY A 111 -13.877 6.087 -5.989 1.00 0.00 C ATOM 1704 C GLY A 111 -13.236 4.704 -6.117 1.00 0.00 C ATOM 1705 O GLY A 111 -13.377 4.043 -7.145 1.00 0.00 O ATOM 0 H GLY A 111 -13.654 6.970 -4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -14.745 6.151 -6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.172 6.850 -6.318 1.00 0.00 H new ATOM 1709 N GLU A 112 -12.545 4.307 -5.059 1.00 0.00 N ATOM 1710 CA GLU A 112 -11.882 3.014 -5.039 1.00 0.00 C ATOM 1711 C GLU A 112 -12.899 1.899 -4.788 1.00 0.00 C ATOM 1712 O GLU A 112 -13.450 1.793 -3.693 1.00 0.00 O ATOM 1713 CB GLU A 112 -10.767 2.986 -3.992 1.00 0.00 C ATOM 1714 CG GLU A 112 -9.643 2.037 -4.414 1.00 0.00 C ATOM 1715 CD GLU A 112 -8.378 2.814 -4.782 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -8.503 3.744 -5.608 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -7.314 2.462 -4.228 1.00 0.00 O ATOM 0 H GLU A 112 -12.430 4.858 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.424 2.847 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -10.367 3.991 -3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.173 2.670 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.424 1.343 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -9.968 1.439 -5.266 1.00 0.00 H new ATOM 1724 N GLU A 113 -13.117 1.097 -5.819 1.00 0.00 N ATOM 1725 CA GLU A 113 -14.059 -0.006 -5.724 1.00 0.00 C ATOM 1726 C GLU A 113 -13.832 -0.786 -4.428 1.00 0.00 C ATOM 1727 O GLU A 113 -12.772 -0.680 -3.812 1.00 0.00 O ATOM 1728 CB GLU A 113 -13.953 -0.924 -6.943 1.00 0.00 C ATOM 1729 CG GLU A 113 -12.902 -2.013 -6.720 1.00 0.00 C ATOM 1730 CD GLU A 113 -12.791 -2.927 -7.941 1.00 0.00 C ATOM 1731 OE1 GLU A 113 -13.177 -2.462 -9.035 1.00 0.00 O ATOM 1732 OE2 GLU A 113 -12.323 -4.071 -7.754 1.00 0.00 O ATOM 0 H GLU A 113 -12.658 1.189 -6.725 1.00 0.00 H new ATOM 0 HA GLU A 113 -15.069 0.404 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -14.921 -1.383 -7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.692 -0.337 -7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.935 -1.553 -6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.166 -2.603 -5.842 1.00 0.00 H new ATOM 1739 N PRO A 114 -14.871 -1.574 -4.042 1.00 0.00 N ATOM 1740 CA PRO A 114 -14.795 -2.373 -2.831 1.00 0.00 C ATOM 1741 C PRO A 114 -13.898 -3.596 -3.035 1.00 0.00 C ATOM 1742 O PRO A 114 -14.093 -4.362 -3.977 1.00 0.00 O ATOM 1743 CB PRO A 114 -16.235 -2.739 -2.510 1.00 0.00 C ATOM 1744 CG PRO A 114 -17.015 -2.529 -3.798 1.00 0.00 C ATOM 1745 CD PRO A 114 -16.141 -1.726 -4.747 1.00 0.00 C ATOM 0 HA PRO A 114 -14.340 -1.834 -2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -16.309 -3.773 -2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -16.628 -2.113 -1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -17.281 -3.488 -4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -17.947 -2.000 -3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -16.007 -2.244 -5.697 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -16.587 -0.757 -4.973 1.00 0.00 H new ATOM 1753 N ILE A 115 -12.935 -3.740 -2.137 1.00 0.00 N ATOM 1754 CA ILE A 115 -12.008 -4.857 -2.206 1.00 0.00 C ATOM 1755 C ILE A 115 -12.766 -6.160 -1.945 1.00 0.00 C ATOM 1756 O ILE A 115 -13.859 -6.145 -1.382 1.00 0.00 O ATOM 1757 CB ILE A 115 -10.827 -4.632 -1.261 1.00 0.00 C ATOM 1758 CG1 ILE A 115 -11.286 -4.622 0.198 1.00 0.00 C ATOM 1759 CG2 ILE A 115 -10.064 -3.359 -1.630 1.00 0.00 C ATOM 1760 CD1 ILE A 115 -10.109 -4.370 1.142 1.00 0.00 C ATOM 0 H ILE A 115 -12.776 -3.102 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 115 -11.577 -4.934 -3.204 1.00 0.00 H new ATOM 0 HB ILE A 115 -10.135 -5.467 -1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -12.042 -3.850 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -11.755 -5.575 0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -9.229 -3.223 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.685 -3.444 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -10.733 -2.501 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.463 -4.368 2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.366 -5.157 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.658 -3.405 0.911 1.00 0.00 H new ATOM 1772 N ASP A 116 -12.154 -7.258 -2.366 1.00 0.00 N ATOM 1773 CA ASP A 116 -12.757 -8.567 -2.185 1.00 0.00 C ATOM 1774 C ASP A 116 -11.654 -9.621 -2.071 1.00 0.00 C ATOM 1775 O ASP A 116 -11.645 -10.598 -2.818 1.00 0.00 O ATOM 1776 CB ASP A 116 -13.642 -8.936 -3.377 1.00 0.00 C ATOM 1777 CG ASP A 116 -15.116 -8.551 -3.233 1.00 0.00 C ATOM 1778 OD1 ASP A 116 -15.406 -7.754 -2.315 1.00 0.00 O ATOM 1779 OD2 ASP A 116 -15.918 -9.062 -4.043 1.00 0.00 O ATOM 0 H ASP A 116 -11.247 -7.267 -2.832 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.365 -8.535 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -13.242 -8.455 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -13.577 -10.012 -3.539 1.00 0.00 H new ATOM 1784 N ILE A 117 -10.750 -9.386 -1.132 1.00 0.00 N ATOM 1785 CA ILE A 117 -9.644 -10.302 -0.911 1.00 0.00 C ATOM 1786 C ILE A 117 -10.165 -11.567 -0.226 1.00 0.00 C ATOM 1787 O ILE A 117 -11.355 -11.674 0.065 1.00 0.00 O ATOM 1788 CB ILE A 117 -8.517 -9.607 -0.144 1.00 0.00 C ATOM 1789 CG1 ILE A 117 -8.459 -8.117 -0.485 1.00 0.00 C ATOM 1790 CG2 ILE A 117 -7.177 -10.304 -0.387 1.00 0.00 C ATOM 1791 CD1 ILE A 117 -9.167 -7.282 0.584 1.00 0.00 C ATOM 0 H ILE A 117 -10.761 -8.574 -0.515 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.208 -10.610 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.731 -9.685 0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.420 -7.800 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.925 -7.944 -1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.393 -9.790 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.240 -11.340 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.942 -10.280 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -9.111 -6.227 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -10.212 -7.585 0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -8.683 -7.439 1.548 1.00 0.00 H new ATOM 1803 N ASP A 118 -9.248 -12.494 0.011 1.00 0.00 N ATOM 1804 CA ASP A 118 -9.600 -13.747 0.656 1.00 0.00 C ATOM 1805 C ASP A 118 -9.838 -13.499 2.147 1.00 0.00 C ATOM 1806 O ASP A 118 -8.895 -13.253 2.898 1.00 0.00 O ATOM 1807 CB ASP A 118 -8.472 -14.772 0.522 1.00 0.00 C ATOM 1808 CG ASP A 118 -8.922 -16.181 0.133 1.00 0.00 C ATOM 1809 OD1 ASP A 118 -9.936 -16.632 0.708 1.00 0.00 O ATOM 1810 OD2 ASP A 118 -8.242 -16.776 -0.731 1.00 0.00 O ATOM 0 H ASP A 118 -8.262 -12.402 -0.232 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.498 -14.134 0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -7.763 -14.414 -0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -7.936 -14.827 1.470 1.00 0.00 H new ATOM 1815 N SER A 119 -11.104 -13.573 2.532 1.00 0.00 N ATOM 1816 CA SER A 119 -11.477 -13.359 3.920 1.00 0.00 C ATOM 1817 C SER A 119 -10.998 -14.533 4.777 1.00 0.00 C ATOM 1818 O SER A 119 -11.613 -15.598 4.778 1.00 0.00 O ATOM 1819 CB SER A 119 -12.990 -13.182 4.062 1.00 0.00 C ATOM 1820 OG SER A 119 -13.398 -13.150 5.427 1.00 0.00 O ATOM 0 H SER A 119 -11.884 -13.778 1.907 1.00 0.00 H new ATOM 0 HA SER A 119 -10.997 -12.444 4.266 1.00 0.00 H new ATOM 0 HB2 SER A 119 -13.295 -12.258 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.500 -13.998 3.550 1.00 0.00 H new ATOM 0 HG SER A 119 -14.370 -13.034 5.475 1.00 0.00 H new ATOM 1826 N GLY A 120 -9.904 -14.297 5.487 1.00 0.00 N ATOM 1827 CA GLY A 120 -9.335 -15.321 6.347 1.00 0.00 C ATOM 1828 C GLY A 120 -10.190 -15.522 7.600 1.00 0.00 C ATOM 1829 O GLY A 120 -11.354 -15.126 7.632 1.00 0.00 O ATOM 0 H GLY A 120 -9.397 -13.412 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -9.260 -16.260 5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -8.323 -15.038 6.635 1.00 0.00 H new ATOM 1833 N PRO A 121 -9.563 -16.155 8.628 1.00 0.00 N ATOM 1834 CA PRO A 121 -10.254 -16.413 9.880 1.00 0.00 C ATOM 1835 C PRO A 121 -10.390 -15.132 10.705 1.00 0.00 C ATOM 1836 O PRO A 121 -9.671 -14.941 11.684 1.00 0.00 O ATOM 1837 CB PRO A 121 -9.424 -17.481 10.574 1.00 0.00 C ATOM 1838 CG PRO A 121 -8.058 -17.447 9.906 1.00 0.00 C ATOM 1839 CD PRO A 121 -8.186 -16.638 8.625 1.00 0.00 C ATOM 0 HA PRO A 121 -11.278 -16.756 9.733 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -9.342 -17.279 11.642 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.885 -18.463 10.470 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -7.320 -16.997 10.570 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.715 -18.458 9.686 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -7.476 -15.811 8.606 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.983 -17.252 7.747 1.00 0.00 H new ATOM 1847 N SER A 122 -11.319 -14.288 10.280 1.00 0.00 N ATOM 1848 CA SER A 122 -11.559 -13.031 10.967 1.00 0.00 C ATOM 1849 C SER A 122 -13.043 -12.667 10.891 1.00 0.00 C ATOM 1850 O SER A 122 -13.784 -13.236 10.091 1.00 0.00 O ATOM 1851 CB SER A 122 -10.706 -11.907 10.375 1.00 0.00 C ATOM 1852 OG SER A 122 -9.835 -11.330 11.344 1.00 0.00 O ATOM 0 H SER A 122 -11.914 -14.451 9.468 1.00 0.00 H new ATOM 0 HA SER A 122 -11.275 -13.154 12.012 1.00 0.00 H new ATOM 0 HB2 SER A 122 -10.117 -12.298 9.545 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.357 -11.134 9.967 1.00 0.00 H new ATOM 0 HG SER A 122 -9.307 -10.618 10.926 1.00 0.00 H new ATOM 1858 N SER A 123 -13.432 -11.722 11.733 1.00 0.00 N ATOM 1859 CA SER A 123 -14.815 -11.276 11.771 1.00 0.00 C ATOM 1860 C SER A 123 -15.157 -10.524 10.483 1.00 0.00 C ATOM 1861 O SER A 123 -14.371 -9.705 10.011 1.00 0.00 O ATOM 1862 CB SER A 123 -15.074 -10.388 12.989 1.00 0.00 C ATOM 1863 OG SER A 123 -16.053 -10.948 13.860 1.00 0.00 O ATOM 0 H SER A 123 -12.814 -11.252 12.395 1.00 0.00 H new ATOM 0 HA SER A 123 -15.456 -12.154 11.853 1.00 0.00 H new ATOM 0 HB2 SER A 123 -14.143 -10.243 13.536 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.405 -9.404 12.656 1.00 0.00 H new ATOM 0 HG SER A 123 -16.189 -10.352 14.626 1.00 0.00 H new ATOM 1869 N GLY A 124 -16.332 -10.830 9.952 1.00 0.00 N ATOM 1870 CA GLY A 124 -16.788 -10.193 8.728 1.00 0.00 C ATOM 1871 C GLY A 124 -16.743 -11.171 7.552 1.00 0.00 C ATOM 1872 O GLY A 124 -17.783 -11.560 7.024 1.00 0.00 O ATOM 0 H GLY A 124 -16.982 -11.510 10.347 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -17.806 -9.826 8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -16.163 -9.327 8.510 1.00 0.00 H new TER 1876 GLY A 124