USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 827 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 68 THR OG1 : rot -52:sc= -0.895 USER MOD Set 1.2: A 70 MET CE :methyl -120:sc= -0.506 (180deg=-1.37) USER MOD Set 1.3: A 78 ASN : amide:sc= -0.952 X(o=-2.4,f=-2.1) USER MOD Set 2.1: A 19 SER OG : rot 180:sc= 0.0173 USER MOD Set 2.2: A 20 ASN : amide:sc= -0.253 X(o=-0.24,f=0.017) USER MOD Set 3.1: A 1 MET CE :methyl -171:sc= -0.13 (180deg=-0.22) USER MOD Set 3.2: A 9 CYS SG : rot -33:sc= 0.601 USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0293 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.015) USER MOD Single : A 10 GLN : amide:sc=-0.00391 X(o=-0.0039,f=-0.044) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -0.143 X(o=-0.14,f=-0.41) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 29 HIS : no HD1:sc= -0.528 K(o=-0.53,f=-2) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -31:sc= 0.9 USER MOD Single : A 39 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.005) USER MOD Single : A 43 GLN : amide:sc= -0.106 K(o=-0.11,f=-1) USER MOD Single : A 44 GLN : amide:sc= -0.0699 K(o=-0.07,f=-2.2!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.142 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0513 X(o=-0.051,f=-0.27) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0637 X(o=-0.064,f=-0.064) USER MOD Single : A 62 LYS NZ :NH3+ 153:sc= -0.392 (180deg=-0.739) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -34:sc= 0.983 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0613 USER MOD Single : A 84 GLN : amide:sc= -3.32! C(o=-3.3!,f=-8.3!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -55:sc= 0.384 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 157:sc= -0.0641 (180deg=-0.368) USER MOD Single : A 94 CYS SG : rot 121:sc= -0.127 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.127 USER MOD Single : A 100 SER OG : rot 180:sc=-0.00198 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.970 -2.509 -0.587 1.00 0.00 N ATOM 2 CA MET A 1 2.430 -1.868 -1.814 1.00 0.00 C ATOM 3 C MET A 1 1.655 -2.385 -3.022 1.00 0.00 C ATOM 4 O MET A 1 1.273 -3.555 -3.071 1.00 0.00 O ATOM 5 CB MET A 1 3.927 -2.113 -2.011 1.00 0.00 C ATOM 6 CG MET A 1 4.530 -1.304 -3.148 1.00 0.00 C ATOM 7 SD MET A 1 6.333 -1.341 -3.147 1.00 0.00 S ATOM 8 CE MET A 1 6.708 0.410 -3.168 1.00 0.00 C ATOM 0 H1 MET A 1 2.788 -2.735 0.014 1.00 0.00 H new ATOM 0 H2 MET A 1 1.333 -1.865 -0.077 1.00 0.00 H new ATOM 0 H3 MET A 1 1.461 -3.385 -0.823 1.00 0.00 H new ATOM 0 HA MET A 1 2.253 -0.796 -1.723 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.451 -1.872 -1.086 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.091 -3.173 -2.203 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.163 -1.691 -4.099 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.192 -0.271 -3.073 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.777 0.551 -3.330 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.152 0.892 -3.972 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.424 0.854 -2.214 1.00 0.00 H new ATOM 18 N ASP A 2 1.426 -1.508 -3.992 1.00 0.00 N ATOM 19 CA ASP A 2 0.696 -1.876 -5.200 1.00 0.00 C ATOM 20 C ASP A 2 1.641 -2.448 -6.252 1.00 0.00 C ATOM 21 O ASP A 2 2.803 -2.052 -6.338 1.00 0.00 O ATOM 22 CB ASP A 2 -0.042 -0.662 -5.766 1.00 0.00 C ATOM 23 CG ASP A 2 -1.531 -0.908 -5.914 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.931 -1.552 -6.906 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.296 -0.456 -5.036 1.00 0.00 O ATOM 0 H ASP A 2 1.735 -0.536 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.032 -2.643 -4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.119 0.195 -5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.379 -0.405 -6.738 1.00 0.00 H new ATOM 30 N ASN A 3 1.135 -3.382 -7.050 1.00 0.00 N ATOM 31 CA ASN A 3 1.935 -4.010 -8.095 1.00 0.00 C ATOM 32 C ASN A 3 2.332 -2.993 -9.161 1.00 0.00 C ATOM 33 O ASN A 3 3.373 -3.128 -9.804 1.00 0.00 O ATOM 34 CB ASN A 3 1.158 -5.161 -8.738 1.00 0.00 C ATOM 35 CG ASN A 3 0.701 -6.189 -7.721 1.00 0.00 C ATOM 36 OD1 ASN A 3 -0.489 -6.304 -7.430 1.00 0.00 O ATOM 37 ND2 ASN A 3 1.649 -6.943 -7.176 1.00 0.00 N ATOM 0 H ASN A 3 0.175 -3.721 -6.993 1.00 0.00 H new ATOM 0 HA ASN A 3 2.842 -4.403 -7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.290 -4.762 -9.262 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.786 -5.647 -9.485 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.403 -7.652 -6.486 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.623 -6.813 -7.448 1.00 0.00 H new ATOM 44 N ARG A 4 1.497 -1.975 -9.340 1.00 0.00 N ATOM 45 CA ARG A 4 1.760 -0.936 -10.328 1.00 0.00 C ATOM 46 C ARG A 4 2.923 -0.051 -9.888 1.00 0.00 C ATOM 47 O ARG A 4 3.852 0.200 -10.657 1.00 0.00 O ATOM 48 CB ARG A 4 0.510 -0.081 -10.546 1.00 0.00 C ATOM 49 CG ARG A 4 -0.674 -0.863 -11.090 1.00 0.00 C ATOM 50 CD ARG A 4 -1.987 -0.142 -10.826 1.00 0.00 C ATOM 51 NE ARG A 4 -3.105 -1.072 -10.688 1.00 0.00 N ATOM 52 CZ ARG A 4 -3.738 -1.618 -11.721 1.00 0.00 C ATOM 53 NH1 ARG A 4 -3.364 -1.328 -12.960 1.00 0.00 N ATOM 54 NH2 ARG A 4 -4.746 -2.455 -11.515 1.00 0.00 N ATOM 0 H ARG A 4 0.633 -1.848 -8.814 1.00 0.00 H new ATOM 0 HA ARG A 4 2.028 -1.421 -11.266 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.226 0.381 -9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.749 0.728 -11.237 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.550 -1.014 -12.162 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.701 -1.851 -10.630 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.897 0.454 -9.918 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.191 0.551 -11.643 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.417 -1.315 -9.748 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.589 -0.685 -13.121 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.851 -1.748 -13.751 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.036 -2.680 -10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.231 -2.874 -12.308 1.00 0.00 H new ATOM 68 N VAL A 5 2.866 0.420 -8.647 1.00 0.00 N ATOM 69 CA VAL A 5 3.914 1.276 -8.104 1.00 0.00 C ATOM 70 C VAL A 5 5.209 0.498 -7.901 1.00 0.00 C ATOM 71 O VAL A 5 6.301 1.023 -8.119 1.00 0.00 O ATOM 72 CB VAL A 5 3.489 1.903 -6.763 1.00 0.00 C ATOM 73 CG1 VAL A 5 2.319 2.854 -6.965 1.00 0.00 C ATOM 74 CG2 VAL A 5 3.136 0.818 -5.757 1.00 0.00 C ATOM 0 H VAL A 5 2.104 0.223 -7.998 1.00 0.00 H new ATOM 0 HA VAL A 5 4.081 2.071 -8.831 1.00 0.00 H new ATOM 0 HB VAL A 5 4.328 2.476 -6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.033 3.287 -6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.611 3.650 -7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.474 2.307 -7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.838 1.278 -4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.313 0.217 -6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.004 0.180 -5.590 1.00 0.00 H new ATOM 84 N ARG A 6 5.080 -0.757 -7.482 1.00 0.00 N ATOM 85 CA ARG A 6 6.240 -1.608 -7.249 1.00 0.00 C ATOM 86 C ARG A 6 7.133 -1.661 -8.485 1.00 0.00 C ATOM 87 O ARG A 6 8.358 -1.687 -8.376 1.00 0.00 O ATOM 88 CB ARG A 6 5.795 -3.021 -6.867 1.00 0.00 C ATOM 89 CG ARG A 6 6.848 -3.806 -6.103 1.00 0.00 C ATOM 90 CD ARG A 6 6.216 -4.728 -5.072 1.00 0.00 C ATOM 91 NE ARG A 6 7.056 -5.889 -4.789 1.00 0.00 N ATOM 92 CZ ARG A 6 7.267 -6.873 -5.656 1.00 0.00 C ATOM 93 NH1 ARG A 6 6.702 -6.836 -6.855 1.00 0.00 N ATOM 94 NH2 ARG A 6 8.044 -7.896 -5.325 1.00 0.00 N ATOM 0 H ARG A 6 4.183 -1.207 -7.297 1.00 0.00 H new ATOM 0 HA ARG A 6 6.813 -1.180 -6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.891 -2.957 -6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.533 -3.568 -7.773 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.444 -4.394 -6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.529 -3.115 -5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.040 -4.174 -4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.244 -5.063 -5.433 1.00 0.00 H new ATOM 0 HE ARG A 6 7.505 -5.947 -3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.104 -6.051 -7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.865 -7.593 -7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.480 -7.928 -4.404 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.205 -8.651 -5.992 1.00 0.00 H new ATOM 108 N GLU A 7 6.510 -1.677 -9.659 1.00 0.00 N ATOM 109 CA GLU A 7 7.248 -1.729 -10.915 1.00 0.00 C ATOM 110 C GLU A 7 7.929 -0.393 -11.201 1.00 0.00 C ATOM 111 O GLU A 7 9.007 -0.348 -11.792 1.00 0.00 O ATOM 112 CB GLU A 7 6.312 -2.094 -12.069 1.00 0.00 C ATOM 113 CG GLU A 7 6.926 -3.061 -13.067 1.00 0.00 C ATOM 114 CD GLU A 7 6.704 -4.512 -12.687 1.00 0.00 C ATOM 115 OE1 GLU A 7 5.633 -4.821 -12.125 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.602 -5.338 -12.952 1.00 0.00 O ATOM 0 H GLU A 7 5.496 -1.655 -9.766 1.00 0.00 H new ATOM 0 HA GLU A 7 8.016 -2.497 -10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.402 -2.534 -11.662 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.020 -1.183 -12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.500 -2.878 -14.053 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.996 -2.869 -13.142 1.00 0.00 H new ATOM 123 N ALA A 8 7.289 0.693 -10.778 1.00 0.00 N ATOM 124 CA ALA A 8 7.832 2.029 -10.986 1.00 0.00 C ATOM 125 C ALA A 8 9.005 2.298 -10.050 1.00 0.00 C ATOM 126 O ALA A 8 10.054 2.784 -10.476 1.00 0.00 O ATOM 127 CB ALA A 8 6.747 3.077 -10.790 1.00 0.00 C ATOM 0 H ALA A 8 6.394 0.673 -10.289 1.00 0.00 H new ATOM 0 HA ALA A 8 8.198 2.089 -12.011 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.167 4.070 -10.949 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.942 2.905 -11.505 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.353 3.008 -9.776 1.00 0.00 H new ATOM 133 N CYS A 9 8.822 1.979 -8.773 1.00 0.00 N ATOM 134 CA CYS A 9 9.865 2.188 -7.775 1.00 0.00 C ATOM 135 C CYS A 9 11.101 1.355 -8.099 1.00 0.00 C ATOM 136 O CYS A 9 12.225 1.752 -7.794 1.00 0.00 O ATOM 137 CB CYS A 9 9.346 1.831 -6.382 1.00 0.00 C ATOM 138 SG CYS A 9 9.272 0.054 -6.054 1.00 0.00 S ATOM 0 H CYS A 9 7.961 1.575 -8.405 1.00 0.00 H new ATOM 0 HA CYS A 9 10.144 3.242 -7.792 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.987 2.301 -5.636 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.349 2.254 -6.258 1.00 0.00 H new ATOM 0 HG CYS A 9 8.991 -0.579 -7.154 1.00 0.00 H new ATOM 144 N GLN A 10 10.885 0.199 -8.718 1.00 0.00 N ATOM 145 CA GLN A 10 11.982 -0.690 -9.081 1.00 0.00 C ATOM 146 C GLN A 10 12.838 -0.077 -10.184 1.00 0.00 C ATOM 147 O GLN A 10 14.056 -0.251 -10.207 1.00 0.00 O ATOM 148 CB GLN A 10 11.438 -2.046 -9.535 1.00 0.00 C ATOM 149 CG GLN A 10 12.425 -3.188 -9.355 1.00 0.00 C ATOM 150 CD GLN A 10 12.504 -3.670 -7.919 1.00 0.00 C ATOM 151 OE1 GLN A 10 11.498 -4.063 -7.328 1.00 0.00 O ATOM 152 NE2 GLN A 10 13.704 -3.642 -7.351 1.00 0.00 N ATOM 0 H GLN A 10 9.960 -0.144 -8.979 1.00 0.00 H new ATOM 0 HA GLN A 10 12.607 -0.833 -8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.530 -2.270 -8.975 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.157 -1.982 -10.586 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.135 -4.019 -9.998 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.413 -2.864 -9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.510 -3.308 -7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.819 -3.954 -6.387 1.00 0.00 H new ATOM 161 N TYR A 11 12.192 0.642 -11.096 1.00 0.00 N ATOM 162 CA TYR A 11 12.894 1.280 -12.203 1.00 0.00 C ATOM 163 C TYR A 11 13.765 2.430 -11.707 1.00 0.00 C ATOM 164 O TYR A 11 14.913 2.580 -12.127 1.00 0.00 O ATOM 165 CB TYR A 11 11.894 1.793 -13.240 1.00 0.00 C ATOM 166 CG TYR A 11 12.490 2.780 -14.219 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.556 2.420 -15.036 1.00 0.00 C ATOM 168 CD2 TYR A 11 11.988 4.071 -14.328 1.00 0.00 C ATOM 169 CE1 TYR A 11 14.104 3.318 -15.931 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.529 4.974 -15.221 1.00 0.00 C ATOM 171 CZ TYR A 11 13.587 4.594 -16.021 1.00 0.00 C ATOM 172 OH TYR A 11 14.129 5.492 -16.911 1.00 0.00 O ATOM 0 H TYR A 11 11.184 0.797 -11.090 1.00 0.00 H new ATOM 0 HA TYR A 11 13.540 0.535 -12.668 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.489 0.945 -13.793 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.058 2.265 -12.724 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.962 1.422 -14.970 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.160 4.373 -13.703 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.933 3.023 -16.557 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.126 5.973 -15.293 1.00 0.00 H new ATOM 0 HH TYR A 11 13.649 6.344 -16.849 1.00 0.00 H new ATOM 182 N ILE A 12 13.211 3.238 -10.809 1.00 0.00 N ATOM 183 CA ILE A 12 13.936 4.373 -10.253 1.00 0.00 C ATOM 184 C ILE A 12 15.185 3.916 -9.508 1.00 0.00 C ATOM 185 O ILE A 12 16.218 4.584 -9.538 1.00 0.00 O ATOM 186 CB ILE A 12 13.051 5.192 -9.295 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.807 5.702 -10.025 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.840 6.352 -8.706 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.534 5.562 -9.220 1.00 0.00 C ATOM 0 H ILE A 12 12.262 3.127 -10.451 1.00 0.00 H new ATOM 0 HA ILE A 12 14.227 5.003 -11.093 1.00 0.00 H new ATOM 0 HB ILE A 12 12.730 4.545 -8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.951 6.751 -10.282 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.696 5.157 -10.962 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.201 6.921 -8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.697 5.966 -8.155 1.00 0.00 H new ATOM 0 HG23 ILE A 12 14.188 7.001 -9.510 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.693 5.943 -9.799 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.366 4.511 -8.985 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.624 6.131 -8.294 1.00 0.00 H new ATOM 201 N SER A 13 15.084 2.771 -8.841 1.00 0.00 N ATOM 202 CA SER A 13 16.205 2.224 -8.086 1.00 0.00 C ATOM 203 C SER A 13 17.421 2.026 -8.986 1.00 0.00 C ATOM 204 O SER A 13 18.557 2.262 -8.574 1.00 0.00 O ATOM 205 CB SER A 13 15.812 0.894 -7.440 1.00 0.00 C ATOM 206 OG SER A 13 16.797 0.465 -6.515 1.00 0.00 O ATOM 0 H SER A 13 14.237 2.204 -8.808 1.00 0.00 H new ATOM 0 HA SER A 13 16.466 2.936 -7.303 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.854 1.002 -6.932 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.679 0.136 -8.212 1.00 0.00 H new ATOM 0 HG SER A 13 16.521 -0.386 -6.115 1.00 0.00 H new ATOM 212 N ASP A 14 17.174 1.590 -10.216 1.00 0.00 N ATOM 213 CA ASP A 14 18.247 1.360 -11.176 1.00 0.00 C ATOM 214 C ASP A 14 18.908 2.675 -11.577 1.00 0.00 C ATOM 215 O ASP A 14 20.112 2.725 -11.832 1.00 0.00 O ATOM 216 CB ASP A 14 17.706 0.648 -12.417 1.00 0.00 C ATOM 217 CG ASP A 14 18.774 -0.154 -13.135 1.00 0.00 C ATOM 218 OD1 ASP A 14 19.504 -0.909 -12.459 1.00 0.00 O ATOM 219 OD2 ASP A 14 18.878 -0.028 -14.373 1.00 0.00 O ATOM 0 H ASP A 14 16.240 1.389 -10.572 1.00 0.00 H new ATOM 0 HA ASP A 14 18.997 0.727 -10.701 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.892 -0.015 -12.126 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.287 1.385 -13.102 1.00 0.00 H new ATOM 224 N HIS A 15 18.113 3.739 -11.632 1.00 0.00 N ATOM 225 CA HIS A 15 18.621 5.055 -12.002 1.00 0.00 C ATOM 226 C HIS A 15 18.878 5.907 -10.763 1.00 0.00 C ATOM 227 O HIS A 15 18.989 7.131 -10.850 1.00 0.00 O ATOM 228 CB HIS A 15 17.631 5.765 -12.927 1.00 0.00 C ATOM 229 CG HIS A 15 17.581 5.188 -14.308 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.988 5.881 -15.429 1.00 0.00 N ATOM 231 CD2 HIS A 15 17.171 3.974 -14.746 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.828 5.119 -16.496 1.00 0.00 C ATOM 233 NE2 HIS A 15 17.334 3.957 -16.109 1.00 0.00 N ATOM 0 H HIS A 15 17.114 3.715 -11.425 1.00 0.00 H new ATOM 0 HA HIS A 15 19.565 4.918 -12.529 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.635 5.716 -12.486 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.900 6.819 -12.992 1.00 0.00 H new ATOM 0 HD1 HIS A 15 18.355 6.833 -15.433 1.00 0.00 H new ATOM 0 HD2 HIS A 15 16.787 3.169 -14.137 1.00 0.00 H new ATOM 0 HE1 HIS A 15 18.062 5.399 -17.513 1.00 0.00 H new ATOM 241 N LEU A 16 18.971 5.253 -9.611 1.00 0.00 N ATOM 242 CA LEU A 16 19.215 5.950 -8.353 1.00 0.00 C ATOM 243 C LEU A 16 20.482 6.796 -8.435 1.00 0.00 C ATOM 244 O LEU A 16 20.621 7.793 -7.729 1.00 0.00 O ATOM 245 CB LEU A 16 19.333 4.946 -7.205 1.00 0.00 C ATOM 246 CG LEU A 16 19.319 5.534 -5.794 1.00 0.00 C ATOM 247 CD1 LEU A 16 17.946 6.102 -5.466 1.00 0.00 C ATOM 248 CD2 LEU A 16 19.719 4.480 -4.772 1.00 0.00 C ATOM 0 H LEU A 16 18.881 4.241 -9.522 1.00 0.00 H new ATOM 0 HA LEU A 16 18.370 6.612 -8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.513 4.232 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.258 4.385 -7.334 1.00 0.00 H new ATOM 0 HG LEU A 16 20.046 6.346 -5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 16 17.955 6.516 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.698 6.888 -6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 16 17.200 5.309 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 16 19.703 4.917 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 16 19.017 3.647 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.723 4.120 -4.995 1.00 0.00 H new ATOM 260 N ALA A 17 21.402 6.391 -9.305 1.00 0.00 N ATOM 261 CA ALA A 17 22.655 7.114 -9.483 1.00 0.00 C ATOM 262 C ALA A 17 22.530 8.166 -10.580 1.00 0.00 C ATOM 263 O ALA A 17 23.309 9.118 -10.631 1.00 0.00 O ATOM 264 CB ALA A 17 23.782 6.144 -9.806 1.00 0.00 C ATOM 0 H ALA A 17 21.303 5.566 -9.897 1.00 0.00 H new ATOM 0 HA ALA A 17 22.887 7.626 -8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.712 6.697 -9.936 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.895 5.432 -8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.547 5.607 -10.725 1.00 0.00 H new ATOM 270 N ASP A 18 21.546 7.989 -11.454 1.00 0.00 N ATOM 271 CA ASP A 18 21.319 8.925 -12.550 1.00 0.00 C ATOM 272 C ASP A 18 20.979 10.313 -12.017 1.00 0.00 C ATOM 273 O ASP A 18 20.238 10.451 -11.043 1.00 0.00 O ATOM 274 CB ASP A 18 20.192 8.422 -13.453 1.00 0.00 C ATOM 275 CG ASP A 18 20.359 8.870 -14.891 1.00 0.00 C ATOM 276 OD1 ASP A 18 21.512 9.106 -15.309 1.00 0.00 O ATOM 277 OD2 ASP A 18 19.337 8.985 -15.600 1.00 0.00 O ATOM 0 H ASP A 18 20.892 7.206 -11.426 1.00 0.00 H new ATOM 0 HA ASP A 18 22.238 8.994 -13.133 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.159 7.333 -13.416 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.237 8.783 -13.072 1.00 0.00 H new ATOM 282 N SER A 19 21.526 11.339 -12.661 1.00 0.00 N ATOM 283 CA SER A 19 21.285 12.717 -12.249 1.00 0.00 C ATOM 284 C SER A 19 19.956 13.224 -12.800 1.00 0.00 C ATOM 285 O SER A 19 19.123 13.744 -12.060 1.00 0.00 O ATOM 286 CB SER A 19 22.425 13.620 -12.723 1.00 0.00 C ATOM 287 OG SER A 19 22.769 13.342 -14.070 1.00 0.00 O ATOM 0 H SER A 19 22.139 11.242 -13.470 1.00 0.00 H new ATOM 0 HA SER A 19 21.240 12.742 -11.160 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.129 14.665 -12.628 1.00 0.00 H new ATOM 0 HB3 SER A 19 23.297 13.476 -12.085 1.00 0.00 H new ATOM 0 HG SER A 19 23.499 13.933 -14.350 1.00 0.00 H new ATOM 293 N ASN A 20 19.767 13.069 -14.107 1.00 0.00 N ATOM 294 CA ASN A 20 18.539 13.511 -14.759 1.00 0.00 C ATOM 295 C ASN A 20 17.457 12.440 -14.663 1.00 0.00 C ATOM 296 O ASN A 20 17.523 11.413 -15.338 1.00 0.00 O ATOM 297 CB ASN A 20 18.810 13.849 -16.226 1.00 0.00 C ATOM 298 CG ASN A 20 19.269 15.282 -16.414 1.00 0.00 C ATOM 299 OD1 ASN A 20 18.688 16.034 -17.197 1.00 0.00 O ATOM 300 ND2 ASN A 20 20.317 15.667 -15.695 1.00 0.00 N ATOM 0 H ASN A 20 20.448 12.641 -14.735 1.00 0.00 H new ATOM 0 HA ASN A 20 18.186 14.406 -14.246 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.570 13.173 -16.617 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.904 13.681 -16.808 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.671 16.620 -15.780 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.768 15.010 -15.058 1.00 0.00 H new ATOM 307 N PHE A 21 16.459 12.689 -13.822 1.00 0.00 N ATOM 308 CA PHE A 21 15.361 11.747 -13.637 1.00 0.00 C ATOM 309 C PHE A 21 14.058 12.315 -14.192 1.00 0.00 C ATOM 310 O PHE A 21 13.709 13.467 -13.932 1.00 0.00 O ATOM 311 CB PHE A 21 15.193 11.411 -12.154 1.00 0.00 C ATOM 312 CG PHE A 21 13.962 10.603 -11.858 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.720 9.414 -12.526 1.00 0.00 C ATOM 314 CD2 PHE A 21 13.046 11.034 -10.912 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.588 8.670 -12.256 1.00 0.00 C ATOM 316 CE2 PHE A 21 11.912 10.293 -10.637 1.00 0.00 C ATOM 317 CZ PHE A 21 11.683 9.109 -11.310 1.00 0.00 C ATOM 0 H PHE A 21 16.388 13.536 -13.257 1.00 0.00 H new ATOM 0 HA PHE A 21 15.602 10.835 -14.184 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.070 10.861 -11.813 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.156 12.338 -11.582 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.424 9.065 -13.266 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.220 11.960 -10.383 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.411 7.745 -12.785 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.206 10.640 -9.897 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.798 8.528 -11.097 1.00 0.00 H new ATOM 327 N ASP A 22 13.343 11.499 -14.959 1.00 0.00 N ATOM 328 CA ASP A 22 12.078 11.919 -15.551 1.00 0.00 C ATOM 329 C ASP A 22 10.921 11.088 -15.006 1.00 0.00 C ATOM 330 O ASP A 22 10.838 9.884 -15.252 1.00 0.00 O ATOM 331 CB ASP A 22 12.138 11.795 -17.074 1.00 0.00 C ATOM 332 CG ASP A 22 11.162 12.724 -17.769 1.00 0.00 C ATOM 333 OD1 ASP A 22 10.092 13.002 -17.189 1.00 0.00 O ATOM 334 OD2 ASP A 22 11.469 13.173 -18.894 1.00 0.00 O ATOM 0 H ASP A 22 13.618 10.543 -15.185 1.00 0.00 H new ATOM 0 HA ASP A 22 11.909 12.963 -15.285 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.150 12.015 -17.414 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.922 10.766 -17.361 1.00 0.00 H new ATOM 339 N ILE A 23 10.031 11.738 -14.264 1.00 0.00 N ATOM 340 CA ILE A 23 8.879 11.059 -13.684 1.00 0.00 C ATOM 341 C ILE A 23 7.947 10.531 -14.770 1.00 0.00 C ATOM 342 O ILE A 23 7.254 9.533 -14.577 1.00 0.00 O ATOM 343 CB ILE A 23 8.085 11.993 -12.752 1.00 0.00 C ATOM 344 CG1 ILE A 23 7.071 11.191 -11.933 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.384 13.076 -13.558 1.00 0.00 C ATOM 346 CD1 ILE A 23 6.248 12.041 -10.990 1.00 0.00 C ATOM 0 H ILE A 23 10.086 12.734 -14.050 1.00 0.00 H new ATOM 0 HA ILE A 23 9.266 10.222 -13.103 1.00 0.00 H new ATOM 0 HB ILE A 23 8.782 12.473 -12.064 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.401 10.665 -12.613 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.600 10.432 -11.357 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.827 13.728 -12.885 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.125 13.663 -14.101 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.697 12.614 -14.267 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.551 11.406 -10.443 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.908 12.547 -10.286 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.691 12.783 -11.562 1.00 0.00 H new ATOM 358 N ALA A 24 7.938 11.208 -15.914 1.00 0.00 N ATOM 359 CA ALA A 24 7.095 10.806 -17.033 1.00 0.00 C ATOM 360 C ALA A 24 7.431 9.391 -17.492 1.00 0.00 C ATOM 361 O ALA A 24 6.538 8.578 -17.732 1.00 0.00 O ATOM 362 CB ALA A 24 7.246 11.787 -18.186 1.00 0.00 C ATOM 0 H ALA A 24 8.505 12.037 -16.090 1.00 0.00 H new ATOM 0 HA ALA A 24 6.058 10.814 -16.697 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.611 11.475 -19.015 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.950 12.783 -17.857 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.286 11.807 -18.513 1.00 0.00 H new ATOM 368 N SER A 25 8.723 9.103 -17.612 1.00 0.00 N ATOM 369 CA SER A 25 9.176 7.787 -18.047 1.00 0.00 C ATOM 370 C SER A 25 8.754 6.711 -17.051 1.00 0.00 C ATOM 371 O SER A 25 8.537 5.557 -17.420 1.00 0.00 O ATOM 372 CB SER A 25 10.696 7.777 -18.213 1.00 0.00 C ATOM 373 OG SER A 25 11.135 8.899 -18.959 1.00 0.00 O ATOM 0 H SER A 25 9.475 9.763 -17.414 1.00 0.00 H new ATOM 0 HA SER A 25 8.712 7.569 -19.009 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.172 7.779 -17.232 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.004 6.860 -18.715 1.00 0.00 H new ATOM 0 HG SER A 25 12.110 8.870 -19.050 1.00 0.00 H new ATOM 379 N VAL A 26 8.641 7.098 -15.784 1.00 0.00 N ATOM 380 CA VAL A 26 8.245 6.168 -14.733 1.00 0.00 C ATOM 381 C VAL A 26 6.789 5.746 -14.893 1.00 0.00 C ATOM 382 O VAL A 26 6.441 4.585 -14.676 1.00 0.00 O ATOM 383 CB VAL A 26 8.438 6.786 -13.335 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.968 5.822 -12.256 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.893 7.172 -13.120 1.00 0.00 C ATOM 0 H VAL A 26 8.818 8.049 -15.461 1.00 0.00 H new ATOM 0 HA VAL A 26 8.887 5.292 -14.827 1.00 0.00 H new ATOM 0 HB VAL A 26 7.833 7.690 -13.269 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.112 6.275 -11.275 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.911 5.600 -12.402 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.544 4.899 -12.317 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.011 7.607 -12.128 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.521 6.285 -13.205 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.191 7.901 -13.873 1.00 0.00 H new ATOM 395 N ALA A 27 5.942 6.695 -15.276 1.00 0.00 N ATOM 396 CA ALA A 27 4.523 6.421 -15.469 1.00 0.00 C ATOM 397 C ALA A 27 4.300 5.489 -16.655 1.00 0.00 C ATOM 398 O ALA A 27 3.488 4.567 -16.586 1.00 0.00 O ATOM 399 CB ALA A 27 3.756 7.720 -15.664 1.00 0.00 C ATOM 0 H ALA A 27 6.214 7.661 -15.459 1.00 0.00 H new ATOM 0 HA ALA A 27 4.150 5.923 -14.574 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.698 7.500 -15.807 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.880 8.351 -14.784 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.140 8.241 -16.541 1.00 0.00 H new ATOM 405 N GLN A 28 5.025 5.737 -17.741 1.00 0.00 N ATOM 406 CA GLN A 28 4.904 4.920 -18.943 1.00 0.00 C ATOM 407 C GLN A 28 5.331 3.482 -18.668 1.00 0.00 C ATOM 408 O GLN A 28 4.742 2.537 -19.196 1.00 0.00 O ATOM 409 CB GLN A 28 5.751 5.509 -20.072 1.00 0.00 C ATOM 410 CG GLN A 28 5.815 4.626 -21.308 1.00 0.00 C ATOM 411 CD GLN A 28 6.455 5.324 -22.492 1.00 0.00 C ATOM 412 OE1 GLN A 28 6.964 6.439 -22.369 1.00 0.00 O ATOM 413 NE2 GLN A 28 6.432 4.671 -23.648 1.00 0.00 N ATOM 0 H GLN A 28 5.702 6.497 -17.813 1.00 0.00 H new ATOM 0 HA GLN A 28 3.857 4.917 -19.247 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.345 6.481 -20.351 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.763 5.680 -19.705 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.379 3.723 -21.076 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.807 4.312 -21.578 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.000 3.749 -23.704 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.847 5.091 -24.480 1.00 0.00 H new ATOM 422 N HIS A 29 6.358 3.322 -17.840 1.00 0.00 N ATOM 423 CA HIS A 29 6.863 1.998 -17.495 1.00 0.00 C ATOM 424 C HIS A 29 5.764 1.143 -16.872 1.00 0.00 C ATOM 425 O HIS A 29 5.716 -0.070 -17.077 1.00 0.00 O ATOM 426 CB HIS A 29 8.043 2.115 -16.530 1.00 0.00 C ATOM 427 CG HIS A 29 8.448 0.809 -15.918 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.453 -0.380 -16.616 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.865 0.510 -14.665 1.00 0.00 C ATOM 430 CE1 HIS A 29 8.854 -1.354 -15.819 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.110 -0.841 -14.629 1.00 0.00 N ATOM 0 H HIS A 29 6.857 4.093 -17.395 1.00 0.00 H new ATOM 0 HA HIS A 29 7.200 1.514 -18.412 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.896 2.538 -17.061 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.784 2.814 -15.735 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.983 1.204 -13.846 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.955 -2.394 -16.094 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.436 -1.363 -13.816 1.00 0.00 H new ATOM 439 N VAL A 30 4.884 1.782 -16.109 1.00 0.00 N ATOM 440 CA VAL A 30 3.785 1.080 -15.456 1.00 0.00 C ATOM 441 C VAL A 30 2.503 1.184 -16.274 1.00 0.00 C ATOM 442 O VAL A 30 1.413 0.898 -15.778 1.00 0.00 O ATOM 443 CB VAL A 30 3.526 1.635 -14.043 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.731 1.398 -13.146 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.181 3.115 -14.107 1.00 0.00 C ATOM 0 H VAL A 30 4.910 2.785 -15.927 1.00 0.00 H new ATOM 0 HA VAL A 30 4.079 0.033 -15.379 1.00 0.00 H new ATOM 0 HB VAL A 30 2.675 1.105 -13.614 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.529 1.797 -12.152 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.927 0.328 -13.075 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.603 1.899 -13.568 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.001 3.491 -13.100 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.010 3.663 -14.556 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.285 3.254 -14.711 1.00 0.00 H new ATOM 455 N CYS A 31 2.641 1.595 -17.530 1.00 0.00 N ATOM 456 CA CYS A 31 1.493 1.738 -18.418 1.00 0.00 C ATOM 457 C CYS A 31 0.401 2.579 -17.765 1.00 0.00 C ATOM 458 O CYS A 31 -0.789 2.298 -17.916 1.00 0.00 O ATOM 459 CB CYS A 31 0.938 0.363 -18.793 1.00 0.00 C ATOM 460 SG CYS A 31 2.157 -0.748 -19.534 1.00 0.00 S ATOM 0 H CYS A 31 3.536 1.835 -17.956 1.00 0.00 H new ATOM 0 HA CYS A 31 1.826 2.247 -19.322 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.529 -0.108 -17.899 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.111 0.495 -19.491 1.00 0.00 H new ATOM 0 HG CYS A 31 1.594 -1.886 -19.814 1.00 0.00 H new ATOM 466 N LEU A 32 0.813 3.611 -17.037 1.00 0.00 N ATOM 467 CA LEU A 32 -0.130 4.494 -16.358 1.00 0.00 C ATOM 468 C LEU A 32 0.331 5.946 -16.436 1.00 0.00 C ATOM 469 O LEU A 32 1.497 6.223 -16.715 1.00 0.00 O ATOM 470 CB LEU A 32 -0.289 4.075 -14.896 1.00 0.00 C ATOM 471 CG LEU A 32 -1.585 3.344 -14.544 1.00 0.00 C ATOM 472 CD1 LEU A 32 -1.410 2.530 -13.271 1.00 0.00 C ATOM 473 CD2 LEU A 32 -2.731 4.334 -14.392 1.00 0.00 C ATOM 0 H LEU A 32 1.794 3.857 -16.902 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.094 4.411 -16.860 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.551 3.433 -14.630 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.218 4.967 -14.274 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.827 2.660 -15.358 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.343 2.017 -13.036 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.618 1.795 -13.415 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.144 3.194 -12.448 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.645 3.796 -14.142 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.497 5.042 -13.597 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.872 4.874 -15.328 1.00 0.00 H new ATOM 485 N SER A 33 -0.593 6.868 -16.186 1.00 0.00 N ATOM 486 CA SER A 33 -0.282 8.292 -16.229 1.00 0.00 C ATOM 487 C SER A 33 0.398 8.740 -14.939 1.00 0.00 C ATOM 488 O SER A 33 0.311 8.083 -13.901 1.00 0.00 O ATOM 489 CB SER A 33 -1.557 9.107 -16.456 1.00 0.00 C ATOM 490 OG SER A 33 -1.811 9.283 -17.839 1.00 0.00 O ATOM 0 H SER A 33 -1.563 6.655 -15.952 1.00 0.00 H new ATOM 0 HA SER A 33 0.404 8.464 -17.059 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.403 8.602 -15.989 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.461 10.080 -15.974 1.00 0.00 H new ATOM 0 HG SER A 33 -2.632 9.805 -17.957 1.00 0.00 H new ATOM 496 N PRO A 34 1.093 9.885 -15.004 1.00 0.00 N ATOM 497 CA PRO A 34 1.801 10.447 -13.850 1.00 0.00 C ATOM 498 C PRO A 34 0.847 10.972 -12.783 1.00 0.00 C ATOM 499 O PRO A 34 1.122 10.871 -11.587 1.00 0.00 O ATOM 500 CB PRO A 34 2.610 11.597 -14.457 1.00 0.00 C ATOM 501 CG PRO A 34 1.855 11.986 -15.681 1.00 0.00 C ATOM 502 CD PRO A 34 1.239 10.720 -16.208 1.00 0.00 C ATOM 0 HA PRO A 34 2.410 9.700 -13.342 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.694 12.432 -13.762 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.625 11.282 -14.701 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.089 12.725 -15.448 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.517 12.435 -16.421 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.277 10.909 -16.685 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.876 10.243 -16.953 1.00 0.00 H new ATOM 510 N SER A 35 -0.275 11.533 -13.223 1.00 0.00 N ATOM 511 CA SER A 35 -1.269 12.076 -12.305 1.00 0.00 C ATOM 512 C SER A 35 -1.921 10.964 -11.489 1.00 0.00 C ATOM 513 O SER A 35 -2.053 11.069 -10.270 1.00 0.00 O ATOM 514 CB SER A 35 -2.338 12.852 -13.077 1.00 0.00 C ATOM 515 OG SER A 35 -1.864 14.132 -13.457 1.00 0.00 O ATOM 0 H SER A 35 -0.518 11.623 -14.209 1.00 0.00 H new ATOM 0 HA SER A 35 -0.761 12.755 -11.620 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.630 12.290 -13.965 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.230 12.959 -12.460 1.00 0.00 H new ATOM 0 HG SER A 35 -2.565 14.607 -13.950 1.00 0.00 H new ATOM 521 N ARG A 36 -2.327 9.899 -12.172 1.00 0.00 N ATOM 522 CA ARG A 36 -2.967 8.767 -11.512 1.00 0.00 C ATOM 523 C ARG A 36 -1.951 7.959 -10.710 1.00 0.00 C ATOM 524 O ARG A 36 -2.250 7.474 -9.618 1.00 0.00 O ATOM 525 CB ARG A 36 -3.649 7.867 -12.544 1.00 0.00 C ATOM 526 CG ARG A 36 -4.601 8.611 -13.467 1.00 0.00 C ATOM 527 CD ARG A 36 -5.811 9.137 -12.712 1.00 0.00 C ATOM 528 NE ARG A 36 -6.338 10.362 -13.307 1.00 0.00 N ATOM 529 CZ ARG A 36 -7.459 10.952 -12.906 1.00 0.00 C ATOM 530 NH1 ARG A 36 -8.167 10.431 -11.913 1.00 0.00 N ATOM 531 NH2 ARG A 36 -7.873 12.065 -13.498 1.00 0.00 N ATOM 0 H ARG A 36 -2.224 9.796 -13.182 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.719 9.157 -10.826 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.885 7.374 -13.145 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.199 7.084 -12.023 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.077 9.441 -13.940 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.930 7.946 -14.265 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.590 8.375 -12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.536 9.327 -11.674 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.817 10.788 -14.073 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.851 9.576 -11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.027 10.886 -11.607 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.331 12.469 -14.262 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.734 12.517 -13.189 1.00 0.00 H new ATOM 545 N LEU A 37 -0.749 7.818 -11.259 1.00 0.00 N ATOM 546 CA LEU A 37 0.312 7.069 -10.595 1.00 0.00 C ATOM 547 C LEU A 37 0.808 7.809 -9.357 1.00 0.00 C ATOM 548 O LEU A 37 1.090 7.196 -8.327 1.00 0.00 O ATOM 549 CB LEU A 37 1.475 6.830 -11.560 1.00 0.00 C ATOM 550 CG LEU A 37 2.717 6.169 -10.963 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.465 4.691 -10.708 1.00 0.00 C ATOM 552 CD2 LEU A 37 3.915 6.357 -11.882 1.00 0.00 C ATOM 0 H LEU A 37 -0.485 8.212 -12.162 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.096 6.108 -10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.117 6.210 -12.382 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.768 7.788 -11.988 1.00 0.00 H new ATOM 0 HG LEU A 37 2.937 6.649 -10.009 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.360 4.237 -10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.635 4.578 -10.010 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.219 4.196 -11.648 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.790 5.880 -11.441 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.705 5.904 -12.851 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.109 7.421 -12.013 1.00 0.00 H new ATOM 564 N SER A 38 0.910 9.130 -9.464 1.00 0.00 N ATOM 565 CA SER A 38 1.373 9.953 -8.353 1.00 0.00 C ATOM 566 C SER A 38 0.468 9.783 -7.136 1.00 0.00 C ATOM 567 O SER A 38 0.940 9.723 -6.000 1.00 0.00 O ATOM 568 CB SER A 38 1.419 11.425 -8.766 1.00 0.00 C ATOM 569 OG SER A 38 0.133 11.893 -9.133 1.00 0.00 O ATOM 0 H SER A 38 0.678 9.653 -10.309 1.00 0.00 H new ATOM 0 HA SER A 38 2.378 9.626 -8.085 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.806 12.025 -7.942 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.107 11.550 -9.602 1.00 0.00 H new ATOM 0 HG SER A 38 -0.385 11.157 -9.521 1.00 0.00 H new ATOM 575 N HIS A 39 -0.836 9.705 -7.383 1.00 0.00 N ATOM 576 CA HIS A 39 -1.809 9.542 -6.308 1.00 0.00 C ATOM 577 C HIS A 39 -1.542 8.260 -5.524 1.00 0.00 C ATOM 578 O HIS A 39 -1.496 8.272 -4.293 1.00 0.00 O ATOM 579 CB HIS A 39 -3.228 9.519 -6.876 1.00 0.00 C ATOM 580 CG HIS A 39 -4.293 9.448 -5.825 1.00 0.00 C ATOM 581 ND1 HIS A 39 -5.060 10.532 -5.456 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.717 8.412 -5.063 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.909 10.167 -4.512 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.722 8.885 -4.256 1.00 0.00 N ATOM 0 H HIS A 39 -1.243 9.752 -8.317 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.710 10.390 -5.630 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.384 10.413 -7.479 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.330 8.663 -7.543 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.336 7.402 -5.086 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.633 10.808 -4.031 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.240 8.336 -3.570 1.00 0.00 H new ATOM 592 N LEU A 40 -1.366 7.158 -6.244 1.00 0.00 N ATOM 593 CA LEU A 40 -1.104 5.868 -5.615 1.00 0.00 C ATOM 594 C LEU A 40 0.298 5.828 -5.017 1.00 0.00 C ATOM 595 O LEU A 40 0.538 5.157 -4.013 1.00 0.00 O ATOM 596 CB LEU A 40 -1.269 4.739 -6.635 1.00 0.00 C ATOM 597 CG LEU A 40 -2.564 4.751 -7.446 1.00 0.00 C ATOM 598 CD1 LEU A 40 -2.494 3.738 -8.579 1.00 0.00 C ATOM 599 CD2 LEU A 40 -3.759 4.467 -6.548 1.00 0.00 C ATOM 0 H LEU A 40 -1.400 7.131 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.826 5.731 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.429 4.778 -7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.203 3.787 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.689 5.743 -7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.425 3.761 -9.145 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.662 3.986 -9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.345 2.740 -8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.672 4.480 -7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.641 3.487 -6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.821 5.230 -5.772 1.00 0.00 H new ATOM 611 N PHE A 41 1.222 6.553 -5.640 1.00 0.00 N ATOM 612 CA PHE A 41 2.601 6.602 -5.169 1.00 0.00 C ATOM 613 C PHE A 41 2.692 7.322 -3.826 1.00 0.00 C ATOM 614 O PHE A 41 3.281 6.810 -2.874 1.00 0.00 O ATOM 615 CB PHE A 41 3.489 7.303 -6.198 1.00 0.00 C ATOM 616 CG PHE A 41 4.754 6.554 -6.509 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.776 5.591 -7.505 1.00 0.00 C ATOM 618 CD2 PHE A 41 5.919 6.813 -5.806 1.00 0.00 C ATOM 619 CE1 PHE A 41 5.938 4.899 -7.792 1.00 0.00 C ATOM 620 CE2 PHE A 41 7.084 6.125 -6.089 1.00 0.00 C ATOM 621 CZ PHE A 41 7.093 5.168 -7.084 1.00 0.00 C ATOM 0 H PHE A 41 1.040 7.114 -6.472 1.00 0.00 H new ATOM 0 HA PHE A 41 2.950 5.578 -5.036 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.923 7.443 -7.119 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.746 8.296 -5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.876 5.379 -8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.917 7.561 -5.027 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.943 4.149 -8.569 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.985 6.336 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.002 4.630 -7.309 1.00 0.00 H new ATOM 631 N ARG A 42 2.105 8.513 -3.760 1.00 0.00 N ATOM 632 CA ARG A 42 2.121 9.305 -2.536 1.00 0.00 C ATOM 633 C ARG A 42 1.224 8.679 -1.472 1.00 0.00 C ATOM 634 O ARG A 42 1.454 8.851 -0.275 1.00 0.00 O ATOM 635 CB ARG A 42 1.667 10.737 -2.824 1.00 0.00 C ATOM 636 CG ARG A 42 2.774 11.632 -3.355 1.00 0.00 C ATOM 637 CD ARG A 42 2.636 13.055 -2.838 1.00 0.00 C ATOM 638 NE ARG A 42 3.619 13.358 -1.800 1.00 0.00 N ATOM 639 CZ ARG A 42 3.986 14.592 -1.474 1.00 0.00 C ATOM 640 NH1 ARG A 42 3.456 15.633 -2.101 1.00 0.00 N ATOM 641 NH2 ARG A 42 4.887 14.787 -0.519 1.00 0.00 N ATOM 0 H ARG A 42 1.613 8.950 -4.539 1.00 0.00 H new ATOM 0 HA ARG A 42 3.143 9.325 -2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.853 10.712 -3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.266 11.173 -1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.743 11.229 -3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.749 11.636 -4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.755 13.754 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.632 13.200 -2.440 1.00 0.00 H new ATOM 0 HE ARG A 42 4.046 12.579 -1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.764 15.487 -2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.740 16.579 -1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.298 13.989 -0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.168 15.735 -0.269 1.00 0.00 H new ATOM 655 N GLN A 43 0.203 7.955 -1.917 1.00 0.00 N ATOM 656 CA GLN A 43 -0.728 7.305 -1.003 1.00 0.00 C ATOM 657 C GLN A 43 -0.140 6.008 -0.457 1.00 0.00 C ATOM 658 O GLN A 43 -0.300 5.691 0.721 1.00 0.00 O ATOM 659 CB GLN A 43 -2.055 7.020 -1.710 1.00 0.00 C ATOM 660 CG GLN A 43 -3.123 6.449 -0.791 1.00 0.00 C ATOM 661 CD GLN A 43 -4.016 7.521 -0.198 1.00 0.00 C ATOM 662 OE1 GLN A 43 -4.365 8.494 -0.867 1.00 0.00 O ATOM 663 NE2 GLN A 43 -4.391 7.348 1.064 1.00 0.00 N ATOM 0 H GLN A 43 -0.001 7.804 -2.905 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.908 7.981 -0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.426 7.943 -2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.879 6.321 -2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.735 5.739 -1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.644 5.893 0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.078 6.526 1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.992 8.037 1.516 1.00 0.00 H new ATOM 672 N GLN A 44 0.540 5.262 -1.322 1.00 0.00 N ATOM 673 CA GLN A 44 1.150 3.999 -0.926 1.00 0.00 C ATOM 674 C GLN A 44 2.484 4.235 -0.224 1.00 0.00 C ATOM 675 O GLN A 44 2.802 3.575 0.766 1.00 0.00 O ATOM 676 CB GLN A 44 1.355 3.102 -2.148 1.00 0.00 C ATOM 677 CG GLN A 44 0.058 2.591 -2.752 1.00 0.00 C ATOM 678 CD GLN A 44 -0.543 1.445 -1.961 1.00 0.00 C ATOM 679 OE1 GLN A 44 0.171 0.560 -1.488 1.00 0.00 O ATOM 680 NE2 GLN A 44 -1.863 1.456 -1.812 1.00 0.00 N ATOM 0 H GLN A 44 0.682 5.511 -2.301 1.00 0.00 H new ATOM 0 HA GLN A 44 0.476 3.502 -0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.906 3.657 -2.907 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.974 2.251 -1.864 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.661 3.408 -2.803 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.242 2.264 -3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.416 2.209 -2.221 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.323 0.711 -1.289 1.00 0.00 H new ATOM 689 N LEU A 45 3.260 5.181 -0.742 1.00 0.00 N ATOM 690 CA LEU A 45 4.560 5.505 -0.166 1.00 0.00 C ATOM 691 C LEU A 45 4.428 6.584 0.904 1.00 0.00 C ATOM 692 O LEU A 45 5.315 6.758 1.738 1.00 0.00 O ATOM 693 CB LEU A 45 5.523 5.969 -1.259 1.00 0.00 C ATOM 694 CG LEU A 45 5.687 5.029 -2.453 1.00 0.00 C ATOM 695 CD1 LEU A 45 7.053 5.215 -3.096 1.00 0.00 C ATOM 696 CD2 LEU A 45 5.491 3.582 -2.024 1.00 0.00 C ATOM 0 H LEU A 45 3.011 5.737 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 45 4.958 4.604 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.183 6.937 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.503 6.126 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 45 4.924 5.275 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.151 4.537 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.156 6.244 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.832 4.997 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.611 2.927 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.231 3.324 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.490 3.457 -1.611 1.00 0.00 H new ATOM 708 N GLY A 46 3.312 7.306 0.874 1.00 0.00 N ATOM 709 CA GLY A 46 3.083 8.359 1.847 1.00 0.00 C ATOM 710 C GLY A 46 3.840 9.629 1.516 1.00 0.00 C ATOM 711 O GLY A 46 3.714 10.635 2.215 1.00 0.00 O ATOM 0 H GLY A 46 2.562 7.181 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.016 8.578 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.382 8.008 2.835 1.00 0.00 H new ATOM 715 N ILE A 47 4.628 9.585 0.447 1.00 0.00 N ATOM 716 CA ILE A 47 5.409 10.741 0.026 1.00 0.00 C ATOM 717 C ILE A 47 5.602 10.753 -1.487 1.00 0.00 C ATOM 718 O ILE A 47 5.309 9.770 -2.168 1.00 0.00 O ATOM 719 CB ILE A 47 6.789 10.768 0.708 1.00 0.00 C ATOM 720 CG1 ILE A 47 7.760 9.837 -0.020 1.00 0.00 C ATOM 721 CG2 ILE A 47 6.664 10.373 2.172 1.00 0.00 C ATOM 722 CD1 ILE A 47 7.285 8.402 -0.089 1.00 0.00 C ATOM 0 H ILE A 47 4.742 8.761 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 47 4.848 11.626 0.326 1.00 0.00 H new ATOM 0 HB ILE A 47 7.183 11.783 0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.916 10.208 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.726 9.868 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.648 10.397 2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.002 11.073 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.252 9.366 2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.023 7.800 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.156 8.013 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.333 8.359 -0.619 1.00 0.00 H new ATOM 734 N SER A 48 6.099 11.871 -2.006 1.00 0.00 N ATOM 735 CA SER A 48 6.329 12.012 -3.439 1.00 0.00 C ATOM 736 C SER A 48 7.586 11.258 -3.864 1.00 0.00 C ATOM 737 O SER A 48 8.486 11.023 -3.057 1.00 0.00 O ATOM 738 CB SER A 48 6.457 13.489 -3.814 1.00 0.00 C ATOM 739 OG SER A 48 5.199 14.035 -4.172 1.00 0.00 O ATOM 0 H SER A 48 6.350 12.692 -1.456 1.00 0.00 H new ATOM 0 HA SER A 48 5.474 11.584 -3.963 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.873 14.046 -2.974 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.154 13.597 -4.645 1.00 0.00 H new ATOM 0 HG SER A 48 5.307 14.981 -4.406 1.00 0.00 H new ATOM 745 N VAL A 49 7.640 10.880 -5.137 1.00 0.00 N ATOM 746 CA VAL A 49 8.786 10.153 -5.671 1.00 0.00 C ATOM 747 C VAL A 49 10.088 10.894 -5.386 1.00 0.00 C ATOM 748 O VAL A 49 11.107 10.280 -5.067 1.00 0.00 O ATOM 749 CB VAL A 49 8.654 9.935 -7.190 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.784 9.056 -7.703 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.300 9.328 -7.525 1.00 0.00 C ATOM 0 H VAL A 49 6.904 11.065 -5.818 1.00 0.00 H new ATOM 0 HA VAL A 49 8.806 9.184 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 49 8.725 10.903 -7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.674 8.913 -8.778 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.741 9.536 -7.497 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.748 8.088 -7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.224 9.181 -8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.197 8.368 -7.019 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.508 10.000 -7.194 1.00 0.00 H new ATOM 761 N LEU A 50 10.047 12.217 -5.502 1.00 0.00 N ATOM 762 CA LEU A 50 11.223 13.043 -5.257 1.00 0.00 C ATOM 763 C LEU A 50 11.806 12.764 -3.875 1.00 0.00 C ATOM 764 O LEU A 50 13.020 12.633 -3.716 1.00 0.00 O ATOM 765 CB LEU A 50 10.865 14.525 -5.382 1.00 0.00 C ATOM 766 CG LEU A 50 11.032 15.140 -6.772 1.00 0.00 C ATOM 767 CD1 LEU A 50 12.484 15.069 -7.217 1.00 0.00 C ATOM 768 CD2 LEU A 50 10.129 14.440 -7.777 1.00 0.00 C ATOM 0 H LEU A 50 9.212 12.740 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 50 11.975 12.793 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.829 14.655 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.482 15.088 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 50 10.741 16.189 -6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 50 12.583 15.511 -8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.108 15.617 -6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 50 12.804 14.027 -7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.261 14.891 -8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.389 13.382 -7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.089 14.545 -7.467 1.00 0.00 H new ATOM 780 N SER A 51 10.932 12.672 -2.877 1.00 0.00 N ATOM 781 CA SER A 51 11.359 12.410 -1.508 1.00 0.00 C ATOM 782 C SER A 51 11.800 10.958 -1.345 1.00 0.00 C ATOM 783 O SER A 51 12.821 10.675 -0.719 1.00 0.00 O ATOM 784 CB SER A 51 10.227 12.724 -0.529 1.00 0.00 C ATOM 785 OG SER A 51 9.811 14.074 -0.646 1.00 0.00 O ATOM 0 H SER A 51 9.924 12.775 -2.992 1.00 0.00 H new ATOM 0 HA SER A 51 12.209 13.057 -1.289 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.382 12.062 -0.720 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.560 12.530 0.491 1.00 0.00 H new ATOM 0 HG SER A 51 9.085 14.249 -0.011 1.00 0.00 H new ATOM 791 N TRP A 52 11.022 10.044 -1.913 1.00 0.00 N ATOM 792 CA TRP A 52 11.331 8.621 -1.831 1.00 0.00 C ATOM 793 C TRP A 52 12.698 8.324 -2.438 1.00 0.00 C ATOM 794 O TRP A 52 13.464 7.522 -1.904 1.00 0.00 O ATOM 795 CB TRP A 52 10.254 7.802 -2.544 1.00 0.00 C ATOM 796 CG TRP A 52 10.504 6.325 -2.500 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.186 5.470 -1.484 1.00 0.00 C ATOM 798 CD2 TRP A 52 11.126 5.531 -3.516 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.573 4.191 -1.807 1.00 0.00 N ATOM 800 CE2 TRP A 52 11.151 4.202 -3.049 1.00 0.00 C ATOM 801 CE3 TRP A 52 11.662 5.812 -4.776 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.693 3.160 -3.798 1.00 0.00 C ATOM 803 CZ3 TRP A 52 12.199 4.777 -5.518 1.00 0.00 C ATOM 804 CH2 TRP A 52 12.210 3.464 -5.027 1.00 0.00 C ATOM 0 H TRP A 52 10.173 10.262 -2.435 1.00 0.00 H new ATOM 0 HA TRP A 52 11.353 8.340 -0.778 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.286 8.013 -2.089 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.193 8.122 -3.584 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.702 5.756 -0.562 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.450 3.368 -1.218 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.657 6.820 -5.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.705 2.148 -3.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 12.617 4.983 -6.492 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.635 2.677 -5.632 1.00 0.00 H new ATOM 815 N ARG A 53 12.998 8.977 -3.556 1.00 0.00 N ATOM 816 CA ARG A 53 14.273 8.782 -4.236 1.00 0.00 C ATOM 817 C ARG A 53 15.438 9.157 -3.325 1.00 0.00 C ATOM 818 O ARG A 53 16.410 8.413 -3.207 1.00 0.00 O ATOM 819 CB ARG A 53 14.324 9.616 -5.517 1.00 0.00 C ATOM 820 CG ARG A 53 15.268 9.057 -6.570 1.00 0.00 C ATOM 821 CD ARG A 53 16.604 9.783 -6.561 1.00 0.00 C ATOM 822 NE ARG A 53 16.625 10.903 -7.499 1.00 0.00 N ATOM 823 CZ ARG A 53 17.742 11.451 -7.964 1.00 0.00 C ATOM 824 NH1 ARG A 53 18.923 10.985 -7.581 1.00 0.00 N ATOM 825 NH2 ARG A 53 17.679 12.468 -8.814 1.00 0.00 N ATOM 0 H ARG A 53 12.376 9.646 -4.010 1.00 0.00 H new ATOM 0 HA ARG A 53 14.361 7.727 -4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.321 9.681 -5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.632 10.631 -5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 53 15.429 7.994 -6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.810 9.147 -7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.811 10.149 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.399 9.082 -6.815 1.00 0.00 H new ATOM 0 HE ARG A 53 15.733 11.285 -7.814 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.975 10.204 -6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 53 19.779 11.408 -7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.772 12.829 -9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.537 12.888 -9.171 1.00 0.00 H new ATOM 839 N GLU A 54 15.331 10.316 -2.683 1.00 0.00 N ATOM 840 CA GLU A 54 16.376 10.790 -1.783 1.00 0.00 C ATOM 841 C GLU A 54 16.493 9.885 -0.560 1.00 0.00 C ATOM 842 O GLU A 54 17.592 9.619 -0.074 1.00 0.00 O ATOM 843 CB GLU A 54 16.089 12.227 -1.343 1.00 0.00 C ATOM 844 CG GLU A 54 17.014 12.724 -0.245 1.00 0.00 C ATOM 845 CD GLU A 54 16.457 12.477 1.143 1.00 0.00 C ATOM 846 OE1 GLU A 54 15.654 13.308 1.617 1.00 0.00 O ATOM 847 OE2 GLU A 54 16.823 11.453 1.756 1.00 0.00 O ATOM 0 H GLU A 54 14.532 10.944 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 54 17.323 10.766 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.177 12.887 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.058 12.292 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.981 12.229 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.188 13.792 -0.378 1.00 0.00 H new ATOM 854 N ASP A 55 15.352 9.417 -0.067 1.00 0.00 N ATOM 855 CA ASP A 55 15.324 8.542 1.099 1.00 0.00 C ATOM 856 C ASP A 55 15.959 7.192 0.780 1.00 0.00 C ATOM 857 O ASP A 55 16.635 6.599 1.621 1.00 0.00 O ATOM 858 CB ASP A 55 13.886 8.342 1.580 1.00 0.00 C ATOM 859 CG ASP A 55 13.807 8.057 3.067 1.00 0.00 C ATOM 860 OD1 ASP A 55 14.772 7.482 3.613 1.00 0.00 O ATOM 861 OD2 ASP A 55 12.781 8.411 3.684 1.00 0.00 O ATOM 0 H ASP A 55 14.434 9.629 -0.457 1.00 0.00 H new ATOM 0 HA ASP A 55 15.901 9.017 1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.303 9.234 1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.434 7.517 1.030 1.00 0.00 H new ATOM 866 N GLN A 56 15.736 6.712 -0.439 1.00 0.00 N ATOM 867 CA GLN A 56 16.285 5.431 -0.868 1.00 0.00 C ATOM 868 C GLN A 56 17.806 5.494 -0.959 1.00 0.00 C ATOM 869 O GLN A 56 18.503 4.588 -0.500 1.00 0.00 O ATOM 870 CB GLN A 56 15.698 5.027 -2.221 1.00 0.00 C ATOM 871 CG GLN A 56 14.337 4.357 -2.118 1.00 0.00 C ATOM 872 CD GLN A 56 14.439 2.872 -1.827 1.00 0.00 C ATOM 873 OE1 GLN A 56 15.180 2.147 -2.490 1.00 0.00 O ATOM 874 NE2 GLN A 56 13.692 2.412 -0.830 1.00 0.00 N ATOM 0 H GLN A 56 15.179 7.191 -1.147 1.00 0.00 H new ATOM 0 HA GLN A 56 16.014 4.681 -0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.611 5.914 -2.849 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.390 4.349 -2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.757 4.839 -1.331 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.792 4.504 -3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.092 3.049 -0.307 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.719 1.422 -0.588 1.00 0.00 H new ATOM 883 N ARG A 57 18.315 6.568 -1.554 1.00 0.00 N ATOM 884 CA ARG A 57 19.754 6.748 -1.706 1.00 0.00 C ATOM 885 C ARG A 57 20.412 7.028 -0.359 1.00 0.00 C ATOM 886 O ARG A 57 21.490 6.511 -0.064 1.00 0.00 O ATOM 887 CB ARG A 57 20.046 7.893 -2.677 1.00 0.00 C ATOM 888 CG ARG A 57 19.412 9.213 -2.270 1.00 0.00 C ATOM 889 CD ARG A 57 19.666 10.296 -3.306 1.00 0.00 C ATOM 890 NE ARG A 57 19.736 11.625 -2.704 1.00 0.00 N ATOM 891 CZ ARG A 57 19.555 12.751 -3.385 1.00 0.00 C ATOM 892 NH1 ARG A 57 19.294 12.709 -4.684 1.00 0.00 N ATOM 893 NH2 ARG A 57 19.635 13.922 -2.766 1.00 0.00 N ATOM 0 H ARG A 57 17.752 7.327 -1.939 1.00 0.00 H new ATOM 0 HA ARG A 57 20.170 5.825 -2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 57 21.125 8.026 -2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 57 19.687 7.618 -3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 57 18.338 9.077 -2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 57 19.813 9.528 -1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 57 20.599 10.086 -3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 57 18.871 10.277 -4.052 1.00 0.00 H new ATOM 0 HE ARG A 57 19.935 11.692 -1.706 1.00 0.00 H new ATOM 0 HH11 ARG A 57 19.232 11.811 -5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.155 13.575 -5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 57 19.836 13.958 -1.767 1.00 0.00 H new ATOM 0 HH22 ARG A 57 19.496 14.786 -3.290 1.00 0.00 H new ATOM 907 N ILE A 58 19.757 7.850 0.454 1.00 0.00 N ATOM 908 CA ILE A 58 20.279 8.199 1.770 1.00 0.00 C ATOM 909 C ILE A 58 20.209 7.010 2.722 1.00 0.00 C ATOM 910 O ILE A 58 21.058 6.853 3.600 1.00 0.00 O ATOM 911 CB ILE A 58 19.508 9.381 2.386 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.792 10.666 1.605 1.00 0.00 C ATOM 913 CG2 ILE A 58 19.883 9.552 3.851 1.00 0.00 C ATOM 914 CD1 ILE A 58 21.219 11.149 1.734 1.00 0.00 C ATOM 0 H ILE A 58 18.864 8.287 0.225 1.00 0.00 H new ATOM 0 HA ILE A 58 21.320 8.489 1.630 1.00 0.00 H new ATOM 0 HB ILE A 58 18.440 9.170 2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.568 10.498 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.119 11.449 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.330 10.391 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 58 19.635 8.643 4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.953 9.745 3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.347 12.063 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.442 11.349 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.898 10.383 1.358 1.00 0.00 H new ATOM 926 N SER A 59 19.193 6.173 2.540 1.00 0.00 N ATOM 927 CA SER A 59 19.010 4.997 3.384 1.00 0.00 C ATOM 928 C SER A 59 20.133 3.989 3.161 1.00 0.00 C ATOM 929 O SER A 59 20.617 3.365 4.105 1.00 0.00 O ATOM 930 CB SER A 59 17.657 4.343 3.099 1.00 0.00 C ATOM 931 OG SER A 59 17.580 3.055 3.683 1.00 0.00 O ATOM 0 H SER A 59 18.484 6.287 1.816 1.00 0.00 H new ATOM 0 HA SER A 59 19.036 5.320 4.425 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.856 4.971 3.490 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.506 4.267 2.022 1.00 0.00 H new ATOM 0 HG SER A 59 16.705 2.659 3.488 1.00 0.00 H new ATOM 937 N GLN A 60 20.541 3.835 1.906 1.00 0.00 N ATOM 938 CA GLN A 60 21.606 2.902 1.558 1.00 0.00 C ATOM 939 C GLN A 60 22.942 3.363 2.130 1.00 0.00 C ATOM 940 O GLN A 60 23.730 2.555 2.621 1.00 0.00 O ATOM 941 CB GLN A 60 21.710 2.758 0.038 1.00 0.00 C ATOM 942 CG GLN A 60 22.661 1.657 -0.405 1.00 0.00 C ATOM 943 CD GLN A 60 22.184 0.276 -0.001 1.00 0.00 C ATOM 944 OE1 GLN A 60 21.319 -0.310 -0.653 1.00 0.00 O ATOM 945 NE2 GLN A 60 22.746 -0.252 1.080 1.00 0.00 N ATOM 0 H GLN A 60 20.150 4.344 1.113 1.00 0.00 H new ATOM 0 HA GLN A 60 21.362 1.932 1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.719 2.556 -0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.041 3.706 -0.387 1.00 0.00 H new ATOM 0 HG2 GLN A 60 22.775 1.695 -1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.646 1.838 0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.459 0.269 1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.465 -1.179 1.400 1.00 0.00 H new ATOM 954 N ALA A 61 23.191 4.667 2.062 1.00 0.00 N ATOM 955 CA ALA A 61 24.431 5.235 2.575 1.00 0.00 C ATOM 956 C ALA A 61 24.621 4.898 4.050 1.00 0.00 C ATOM 957 O ALA A 61 25.704 4.491 4.470 1.00 0.00 O ATOM 958 CB ALA A 61 24.444 6.743 2.371 1.00 0.00 C ATOM 0 H ALA A 61 22.550 5.349 1.657 1.00 0.00 H new ATOM 0 HA ALA A 61 25.260 4.796 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.376 7.155 2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 61 24.363 6.967 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.602 7.189 2.901 1.00 0.00 H new ATOM 964 N LYS A 62 23.561 5.070 4.833 1.00 0.00 N ATOM 965 CA LYS A 62 23.610 4.783 6.262 1.00 0.00 C ATOM 966 C LYS A 62 23.679 3.280 6.513 1.00 0.00 C ATOM 967 O LYS A 62 24.301 2.829 7.476 1.00 0.00 O ATOM 968 CB LYS A 62 22.385 5.372 6.964 1.00 0.00 C ATOM 969 CG LYS A 62 22.218 6.866 6.745 1.00 0.00 C ATOM 970 CD LYS A 62 20.753 7.263 6.694 1.00 0.00 C ATOM 971 CE LYS A 62 20.131 7.276 8.082 1.00 0.00 C ATOM 972 NZ LYS A 62 20.590 8.443 8.885 1.00 0.00 N ATOM 0 H LYS A 62 22.657 5.407 4.502 1.00 0.00 H new ATOM 0 HA LYS A 62 24.510 5.243 6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.491 4.859 6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.461 5.176 8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 62 22.715 7.410 7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 62 22.706 7.155 5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 62 20.658 8.250 6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.208 6.567 6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.045 7.301 7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.387 6.353 8.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.863 8.689 9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 21.476 8.201 9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 20.752 9.255 8.256 1.00 0.00 H new ATOM 986 N LEU A 63 23.039 2.509 5.641 1.00 0.00 N ATOM 987 CA LEU A 63 23.029 1.056 5.768 1.00 0.00 C ATOM 988 C LEU A 63 24.422 0.479 5.536 1.00 0.00 C ATOM 989 O LEU A 63 24.918 -0.315 6.336 1.00 0.00 O ATOM 990 CB LEU A 63 22.040 0.444 4.774 1.00 0.00 C ATOM 991 CG LEU A 63 21.593 -0.988 5.067 1.00 0.00 C ATOM 992 CD1 LEU A 63 20.279 -1.292 4.364 1.00 0.00 C ATOM 993 CD2 LEU A 63 22.668 -1.979 4.644 1.00 0.00 C ATOM 0 H LEU A 63 22.520 2.866 4.838 1.00 0.00 H new ATOM 0 HA LEU A 63 22.717 0.807 6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.155 1.079 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.492 0.466 3.782 1.00 0.00 H new ATOM 0 HG LEU A 63 21.438 -1.087 6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 63 19.977 -2.316 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.511 -0.603 4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 63 20.407 -1.175 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 63 22.333 -2.993 4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 63 22.855 -1.878 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 63 23.587 -1.776 5.194 1.00 0.00 H new ATOM 1005 N LEU A 64 25.049 0.886 4.438 1.00 0.00 N ATOM 1006 CA LEU A 64 26.387 0.412 4.101 1.00 0.00 C ATOM 1007 C LEU A 64 27.425 0.981 5.063 1.00 0.00 C ATOM 1008 O LEU A 64 28.375 0.297 5.444 1.00 0.00 O ATOM 1009 CB LEU A 64 26.740 0.800 2.664 1.00 0.00 C ATOM 1010 CG LEU A 64 27.134 2.260 2.440 1.00 0.00 C ATOM 1011 CD1 LEU A 64 28.634 2.441 2.615 1.00 0.00 C ATOM 1012 CD2 LEU A 64 26.697 2.725 1.058 1.00 0.00 C ATOM 0 H LEU A 64 24.653 1.543 3.766 1.00 0.00 H new ATOM 0 HA LEU A 64 26.394 -0.674 4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 64 27.562 0.167 2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 64 25.885 0.574 2.027 1.00 0.00 H new ATOM 0 HG LEU A 64 26.625 2.872 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 64 28.896 3.486 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 64 28.920 2.149 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 64 29.162 1.818 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 64 26.986 3.766 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 64 27.177 2.109 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 64 25.615 2.633 0.969 1.00 0.00 H new ATOM 1024 N LEU A 65 27.235 2.237 5.454 1.00 0.00 N ATOM 1025 CA LEU A 65 28.154 2.898 6.374 1.00 0.00 C ATOM 1026 C LEU A 65 28.134 2.224 7.742 1.00 0.00 C ATOM 1027 O LEU A 65 29.130 2.236 8.465 1.00 0.00 O ATOM 1028 CB LEU A 65 27.787 4.377 6.516 1.00 0.00 C ATOM 1029 CG LEU A 65 28.312 5.307 5.422 1.00 0.00 C ATOM 1030 CD1 LEU A 65 27.499 6.591 5.377 1.00 0.00 C ATOM 1031 CD2 LEU A 65 29.786 5.614 5.645 1.00 0.00 C ATOM 0 H LEU A 65 26.454 2.817 5.148 1.00 0.00 H new ATOM 0 HA LEU A 65 29.161 2.817 5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 65 26.701 4.460 6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.159 4.732 7.477 1.00 0.00 H new ATOM 0 HG LEU A 65 28.208 4.802 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 65 27.887 7.240 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.456 6.354 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.570 7.101 6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.143 6.277 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 65 29.914 6.099 6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.358 4.686 5.625 1.00 0.00 H new ATOM 1043 N SER A 66 26.995 1.634 8.089 1.00 0.00 N ATOM 1044 CA SER A 66 26.845 0.955 9.370 1.00 0.00 C ATOM 1045 C SER A 66 27.651 -0.340 9.397 1.00 0.00 C ATOM 1046 O SER A 66 27.920 -0.898 10.462 1.00 0.00 O ATOM 1047 CB SER A 66 25.370 0.656 9.644 1.00 0.00 C ATOM 1048 OG SER A 66 25.215 -0.114 10.823 1.00 0.00 O ATOM 0 H SER A 66 26.162 1.613 7.500 1.00 0.00 H new ATOM 0 HA SER A 66 27.225 1.616 10.149 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.819 1.591 9.742 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.941 0.120 8.797 1.00 0.00 H new ATOM 0 HG SER A 66 24.263 -0.290 10.976 1.00 0.00 H new ATOM 1054 N THR A 67 28.035 -0.815 8.216 1.00 0.00 N ATOM 1055 CA THR A 67 28.809 -2.045 8.102 1.00 0.00 C ATOM 1056 C THR A 67 30.148 -1.790 7.419 1.00 0.00 C ATOM 1057 O THR A 67 30.930 -2.715 7.197 1.00 0.00 O ATOM 1058 CB THR A 67 28.040 -3.121 7.313 1.00 0.00 C ATOM 1059 OG1 THR A 67 28.810 -4.327 7.252 1.00 0.00 O ATOM 1060 CG2 THR A 67 27.729 -2.641 5.903 1.00 0.00 C ATOM 0 H THR A 67 27.822 -0.366 7.325 1.00 0.00 H new ATOM 0 HA THR A 67 28.984 -2.404 9.116 1.00 0.00 H new ATOM 0 HB THR A 67 27.100 -3.315 7.829 1.00 0.00 H new ATOM 0 HG1 THR A 67 29.763 -4.104 7.198 1.00 0.00 H new ATOM 0 HG21 THR A 67 27.186 -3.418 5.366 1.00 0.00 H new ATOM 0 HG22 THR A 67 27.119 -1.739 5.952 1.00 0.00 H new ATOM 0 HG23 THR A 67 28.660 -2.421 5.380 1.00 0.00 H new ATOM 1068 N THR A 68 30.408 -0.529 7.087 1.00 0.00 N ATOM 1069 CA THR A 68 31.652 -0.153 6.429 1.00 0.00 C ATOM 1070 C THR A 68 32.276 1.071 7.090 1.00 0.00 C ATOM 1071 O THR A 68 31.603 1.810 7.810 1.00 0.00 O ATOM 1072 CB THR A 68 31.430 0.143 4.933 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.658 1.339 4.780 1.00 0.00 O ATOM 1074 CG2 THR A 68 30.719 -1.017 4.252 1.00 0.00 C ATOM 0 H THR A 68 29.773 0.249 7.264 1.00 0.00 H new ATOM 0 HA THR A 68 32.330 -1.001 6.527 1.00 0.00 H new ATOM 0 HB THR A 68 32.404 0.278 4.463 1.00 0.00 H new ATOM 0 HG1 THR A 68 29.842 1.273 5.319 1.00 0.00 H new ATOM 0 HG21 THR A 68 30.573 -0.785 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 68 31.323 -1.919 4.345 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.750 -1.178 4.725 1.00 0.00 H new ATOM 1082 N ARG A 69 33.564 1.281 6.840 1.00 0.00 N ATOM 1083 CA ARG A 69 34.278 2.416 7.412 1.00 0.00 C ATOM 1084 C ARG A 69 34.891 3.282 6.315 1.00 0.00 C ATOM 1085 O ARG A 69 35.795 4.077 6.571 1.00 0.00 O ATOM 1086 CB ARG A 69 35.373 1.930 8.364 1.00 0.00 C ATOM 1087 CG ARG A 69 36.415 1.050 7.695 1.00 0.00 C ATOM 1088 CD ARG A 69 36.018 -0.417 7.740 1.00 0.00 C ATOM 1089 NE ARG A 69 37.180 -1.300 7.689 1.00 0.00 N ATOM 1090 CZ ARG A 69 37.116 -2.579 7.336 1.00 0.00 C ATOM 1091 NH1 ARG A 69 35.953 -3.121 7.003 1.00 0.00 N ATOM 1092 NH2 ARG A 69 38.218 -3.319 7.314 1.00 0.00 N ATOM 0 H ARG A 69 34.134 0.680 6.245 1.00 0.00 H new ATOM 0 HA ARG A 69 33.562 3.019 7.970 1.00 0.00 H new ATOM 0 HB2 ARG A 69 35.869 2.795 8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 69 34.912 1.375 9.181 1.00 0.00 H new ATOM 0 HG2 ARG A 69 36.544 1.361 6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 69 37.377 1.183 8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 69 35.454 -0.612 8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 69 35.357 -0.639 6.903 1.00 0.00 H new ATOM 0 HE ARG A 69 38.091 -0.914 7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 69 35.104 -2.556 7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 69 35.907 -4.103 6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 69 39.115 -2.906 7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 69 38.168 -4.301 7.043 1.00 0.00 H new ATOM 1106 N MET A 70 34.391 3.122 5.094 1.00 0.00 N ATOM 1107 CA MET A 70 34.890 3.889 3.959 1.00 0.00 C ATOM 1108 C MET A 70 34.648 5.381 4.163 1.00 0.00 C ATOM 1109 O MET A 70 33.762 5.795 4.911 1.00 0.00 O ATOM 1110 CB MET A 70 34.215 3.424 2.666 1.00 0.00 C ATOM 1111 CG MET A 70 34.701 2.069 2.181 1.00 0.00 C ATOM 1112 SD MET A 70 33.749 1.450 0.781 1.00 0.00 S ATOM 1113 CE MET A 70 32.143 1.217 1.540 1.00 0.00 C ATOM 0 H MET A 70 33.642 2.469 4.866 1.00 0.00 H new ATOM 0 HA MET A 70 35.964 3.720 3.882 1.00 0.00 H new ATOM 0 HB2 MET A 70 33.137 3.379 2.824 1.00 0.00 H new ATOM 0 HB3 MET A 70 34.392 4.165 1.886 1.00 0.00 H new ATOM 0 HG2 MET A 70 35.751 2.144 1.897 1.00 0.00 H new ATOM 0 HG3 MET A 70 34.643 1.352 3.000 1.00 0.00 H new ATOM 0 HE1 MET A 70 31.853 0.169 1.463 1.00 0.00 H new ATOM 0 HE2 MET A 70 32.192 1.503 2.591 1.00 0.00 H new ATOM 0 HE3 MET A 70 31.406 1.836 1.029 1.00 0.00 H new ATOM 1123 N PRO A 71 35.455 6.211 3.485 1.00 0.00 N ATOM 1124 CA PRO A 71 35.348 7.670 3.577 1.00 0.00 C ATOM 1125 C PRO A 71 34.083 8.201 2.913 1.00 0.00 C ATOM 1126 O PRO A 71 33.412 7.484 2.170 1.00 0.00 O ATOM 1127 CB PRO A 71 36.591 8.164 2.831 1.00 0.00 C ATOM 1128 CG PRO A 71 36.927 7.064 1.885 1.00 0.00 C ATOM 1129 CD PRO A 71 36.534 5.788 2.576 1.00 0.00 C ATOM 0 HA PRO A 71 35.291 8.010 4.611 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.390 9.095 2.301 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.414 8.360 3.519 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.388 7.180 0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.990 7.066 1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 71 36.190 5.036 1.866 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.371 5.352 3.121 1.00 0.00 H new ATOM 1137 N ILE A 72 33.762 9.462 3.185 1.00 0.00 N ATOM 1138 CA ILE A 72 32.577 10.088 2.613 1.00 0.00 C ATOM 1139 C ILE A 72 32.659 10.131 1.091 1.00 0.00 C ATOM 1140 O ILE A 72 31.640 10.072 0.402 1.00 0.00 O ATOM 1141 CB ILE A 72 32.384 11.520 3.146 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.450 11.532 4.675 1.00 0.00 C ATOM 1143 CG2 ILE A 72 31.059 12.091 2.663 1.00 0.00 C ATOM 1144 CD1 ILE A 72 31.436 10.622 5.330 1.00 0.00 C ATOM 0 H ILE A 72 34.306 10.069 3.798 1.00 0.00 H new ATOM 0 HA ILE A 72 31.723 9.480 2.912 1.00 0.00 H new ATOM 0 HB ILE A 72 33.189 12.146 2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 72 33.450 11.234 4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 72 32.294 12.551 5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 72 30.937 13.103 3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 72 31.048 12.113 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.241 11.466 3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 72 31.540 10.681 6.413 1.00 0.00 H new ATOM 0 HD12 ILE A 72 30.431 10.932 5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.605 9.595 5.005 1.00 0.00 H new ATOM 1156 N ALA A 73 33.878 10.233 0.572 1.00 0.00 N ATOM 1157 CA ALA A 73 34.094 10.280 -0.869 1.00 0.00 C ATOM 1158 C ALA A 73 33.694 8.964 -1.527 1.00 0.00 C ATOM 1159 O ALA A 73 32.994 8.951 -2.540 1.00 0.00 O ATOM 1160 CB ALA A 73 35.548 10.605 -1.175 1.00 0.00 C ATOM 0 H ALA A 73 34.731 10.285 1.128 1.00 0.00 H new ATOM 0 HA ALA A 73 33.463 11.068 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.694 10.637 -2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.802 11.574 -0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 73 36.191 9.837 -0.744 1.00 0.00 H new ATOM 1166 N THR A 74 34.143 7.856 -0.945 1.00 0.00 N ATOM 1167 CA THR A 74 33.834 6.534 -1.476 1.00 0.00 C ATOM 1168 C THR A 74 32.357 6.202 -1.298 1.00 0.00 C ATOM 1169 O THR A 74 31.697 5.743 -2.230 1.00 0.00 O ATOM 1170 CB THR A 74 34.680 5.443 -0.793 1.00 0.00 C ATOM 1171 OG1 THR A 74 36.072 5.688 -1.020 1.00 0.00 O ATOM 1172 CG2 THR A 74 34.310 4.064 -1.318 1.00 0.00 C ATOM 0 H THR A 74 34.722 7.848 -0.105 1.00 0.00 H new ATOM 0 HA THR A 74 34.073 6.556 -2.539 1.00 0.00 H new ATOM 0 HB THR A 74 34.477 5.474 0.277 1.00 0.00 H new ATOM 0 HG1 THR A 74 36.603 4.991 -0.581 1.00 0.00 H new ATOM 0 HG21 THR A 74 34.920 3.310 -0.821 1.00 0.00 H new ATOM 0 HG22 THR A 74 33.257 3.869 -1.117 1.00 0.00 H new ATOM 0 HG23 THR A 74 34.487 4.024 -2.393 1.00 0.00 H new ATOM 1180 N VAL A 75 31.842 6.438 -0.095 1.00 0.00 N ATOM 1181 CA VAL A 75 30.442 6.166 0.204 1.00 0.00 C ATOM 1182 C VAL A 75 29.520 6.903 -0.761 1.00 0.00 C ATOM 1183 O VAL A 75 28.515 6.358 -1.216 1.00 0.00 O ATOM 1184 CB VAL A 75 30.087 6.571 1.647 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.608 6.340 1.918 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.946 5.805 2.641 1.00 0.00 C ATOM 0 H VAL A 75 32.374 6.817 0.688 1.00 0.00 H new ATOM 0 HA VAL A 75 30.297 5.092 0.090 1.00 0.00 H new ATOM 0 HB VAL A 75 30.292 7.635 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.376 6.632 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 75 28.014 6.938 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 75 28.373 5.285 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.682 6.103 3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.775 4.735 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.998 6.027 2.460 1.00 0.00 H new ATOM 1196 N GLY A 76 29.870 8.149 -1.070 1.00 0.00 N ATOM 1197 CA GLY A 76 29.063 8.942 -1.979 1.00 0.00 C ATOM 1198 C GLY A 76 28.878 8.270 -3.326 1.00 0.00 C ATOM 1199 O GLY A 76 27.784 8.288 -3.890 1.00 0.00 O ATOM 0 H GLY A 76 30.697 8.622 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 76 28.087 9.123 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.533 9.915 -2.123 1.00 0.00 H new ATOM 1203 N ARG A 77 29.949 7.678 -3.842 1.00 0.00 N ATOM 1204 CA ARG A 77 29.900 7.000 -5.132 1.00 0.00 C ATOM 1205 C ARG A 77 28.840 5.903 -5.130 1.00 0.00 C ATOM 1206 O ARG A 77 28.201 5.641 -6.148 1.00 0.00 O ATOM 1207 CB ARG A 77 31.267 6.402 -5.471 1.00 0.00 C ATOM 1208 CG ARG A 77 32.260 7.419 -6.011 1.00 0.00 C ATOM 1209 CD ARG A 77 33.695 6.996 -5.739 1.00 0.00 C ATOM 1210 NE ARG A 77 34.655 8.013 -6.159 1.00 0.00 N ATOM 1211 CZ ARG A 77 35.934 8.009 -5.802 1.00 0.00 C ATOM 1212 NH1 ARG A 77 36.404 7.046 -5.021 1.00 0.00 N ATOM 1213 NH2 ARG A 77 36.746 8.969 -6.225 1.00 0.00 N ATOM 0 H ARG A 77 30.862 7.654 -3.387 1.00 0.00 H new ATOM 0 HA ARG A 77 29.635 7.736 -5.891 1.00 0.00 H new ATOM 0 HB2 ARG A 77 31.684 5.940 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 77 31.135 5.609 -6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 77 32.112 7.539 -7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 77 32.073 8.390 -5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 77 33.819 6.799 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 77 33.903 6.063 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 77 34.325 8.768 -6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 77 35.783 6.306 -4.693 1.00 0.00 H new ATOM 0 HH12 ARG A 77 37.387 7.045 -4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 77 36.388 9.712 -6.825 1.00 0.00 H new ATOM 0 HH22 ARG A 77 37.728 8.964 -5.950 1.00 0.00 H new ATOM 1227 N ASN A 78 28.660 5.264 -3.978 1.00 0.00 N ATOM 1228 CA ASN A 78 27.678 4.194 -3.844 1.00 0.00 C ATOM 1229 C ASN A 78 26.264 4.722 -4.064 1.00 0.00 C ATOM 1230 O ASN A 78 25.393 4.009 -4.563 1.00 0.00 O ATOM 1231 CB ASN A 78 27.783 3.548 -2.461 1.00 0.00 C ATOM 1232 CG ASN A 78 29.128 2.884 -2.233 1.00 0.00 C ATOM 1233 OD1 ASN A 78 29.683 2.256 -3.135 1.00 0.00 O ATOM 1234 ND2 ASN A 78 29.658 3.021 -1.024 1.00 0.00 N ATOM 0 H ASN A 78 29.181 5.468 -3.125 1.00 0.00 H new ATOM 0 HA ASN A 78 27.889 3.444 -4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 78 27.621 4.307 -1.695 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.991 2.807 -2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 78 30.561 2.597 -0.812 1.00 0.00 H new ATOM 0 HD22 ASN A 78 29.162 3.550 -0.307 1.00 0.00 H new ATOM 1241 N VAL A 79 26.042 5.978 -3.688 1.00 0.00 N ATOM 1242 CA VAL A 79 24.734 6.604 -3.846 1.00 0.00 C ATOM 1243 C VAL A 79 24.683 7.459 -5.107 1.00 0.00 C ATOM 1244 O VAL A 79 23.809 8.312 -5.256 1.00 0.00 O ATOM 1245 CB VAL A 79 24.381 7.479 -2.629 1.00 0.00 C ATOM 1246 CG1 VAL A 79 24.338 6.640 -1.361 1.00 0.00 C ATOM 1247 CG2 VAL A 79 25.375 8.622 -2.489 1.00 0.00 C ATOM 0 H VAL A 79 26.751 6.582 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 79 24.004 5.798 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 79 23.391 7.906 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 79 24.087 7.276 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 79 23.583 5.860 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 79 25.313 6.181 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 79 25.111 9.230 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 79 26.378 8.217 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 79 25.349 9.239 -3.388 1.00 0.00 H new ATOM 1257 N GLY A 80 25.628 7.226 -6.013 1.00 0.00 N ATOM 1258 CA GLY A 80 25.672 7.983 -7.250 1.00 0.00 C ATOM 1259 C GLY A 80 26.171 9.400 -7.045 1.00 0.00 C ATOM 1260 O GLY A 80 26.191 10.200 -7.980 1.00 0.00 O ATOM 0 H GLY A 80 26.364 6.527 -5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 80 26.320 7.472 -7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 80 24.675 8.012 -7.690 1.00 0.00 H new ATOM 1264 N PHE A 81 26.574 9.712 -5.818 1.00 0.00 N ATOM 1265 CA PHE A 81 27.073 11.043 -5.492 1.00 0.00 C ATOM 1266 C PHE A 81 28.544 11.180 -5.873 1.00 0.00 C ATOM 1267 O PHE A 81 29.404 10.482 -5.334 1.00 0.00 O ATOM 1268 CB PHE A 81 26.892 11.327 -3.999 1.00 0.00 C ATOM 1269 CG PHE A 81 25.533 11.863 -3.652 1.00 0.00 C ATOM 1270 CD1 PHE A 81 24.391 11.303 -4.201 1.00 0.00 C ATOM 1271 CD2 PHE A 81 25.397 12.929 -2.776 1.00 0.00 C ATOM 1272 CE1 PHE A 81 23.139 11.794 -3.883 1.00 0.00 C ATOM 1273 CE2 PHE A 81 24.148 13.424 -2.454 1.00 0.00 C ATOM 1274 CZ PHE A 81 23.017 12.856 -3.009 1.00 0.00 C ATOM 0 H PHE A 81 26.565 9.061 -5.033 1.00 0.00 H new ATOM 0 HA PHE A 81 26.498 11.770 -6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 81 27.065 10.408 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.649 12.043 -3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 81 24.480 10.473 -4.886 1.00 0.00 H new ATOM 0 HD2 PHE A 81 26.278 13.378 -2.340 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.257 11.348 -4.318 1.00 0.00 H new ATOM 0 HE2 PHE A 81 24.056 14.254 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 81 22.040 13.242 -2.760 1.00 0.00 H new ATOM 1284 N ASP A 82 28.826 12.085 -6.804 1.00 0.00 N ATOM 1285 CA ASP A 82 30.192 12.316 -7.257 1.00 0.00 C ATOM 1286 C ASP A 82 30.936 13.237 -6.295 1.00 0.00 C ATOM 1287 O ASP A 82 32.150 13.123 -6.124 1.00 0.00 O ATOM 1288 CB ASP A 82 30.191 12.919 -8.663 1.00 0.00 C ATOM 1289 CG ASP A 82 29.680 14.346 -8.679 1.00 0.00 C ATOM 1290 OD1 ASP A 82 28.596 14.595 -8.111 1.00 0.00 O ATOM 1291 OD2 ASP A 82 30.364 15.214 -9.260 1.00 0.00 O ATOM 0 H ASP A 82 28.126 12.671 -7.260 1.00 0.00 H new ATOM 0 HA ASP A 82 30.707 11.356 -7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 82 31.203 12.894 -9.067 1.00 0.00 H new ATOM 0 HB3 ASP A 82 29.571 12.307 -9.318 1.00 0.00 H new ATOM 1296 N ASP A 83 30.200 14.150 -5.671 1.00 0.00 N ATOM 1297 CA ASP A 83 30.789 15.091 -4.726 1.00 0.00 C ATOM 1298 C ASP A 83 30.562 14.632 -3.289 1.00 0.00 C ATOM 1299 O ASP A 83 29.423 14.500 -2.843 1.00 0.00 O ATOM 1300 CB ASP A 83 30.198 16.487 -4.928 1.00 0.00 C ATOM 1301 CG ASP A 83 30.666 17.133 -6.217 1.00 0.00 C ATOM 1302 OD1 ASP A 83 31.383 16.464 -6.990 1.00 0.00 O ATOM 1303 OD2 ASP A 83 30.314 18.308 -6.454 1.00 0.00 O ATOM 0 H ASP A 83 29.194 14.258 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 83 31.863 15.129 -4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 83 29.110 16.421 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 83 30.475 17.121 -4.086 1.00 0.00 H new ATOM 1308 N GLN A 84 31.654 14.390 -2.571 1.00 0.00 N ATOM 1309 CA GLN A 84 31.574 13.944 -1.185 1.00 0.00 C ATOM 1310 C GLN A 84 30.894 14.995 -0.314 1.00 0.00 C ATOM 1311 O GLN A 84 30.169 14.663 0.625 1.00 0.00 O ATOM 1312 CB GLN A 84 32.971 13.641 -0.643 1.00 0.00 C ATOM 1313 CG GLN A 84 33.779 14.886 -0.312 1.00 0.00 C ATOM 1314 CD GLN A 84 34.057 15.742 -1.532 1.00 0.00 C ATOM 1315 OE1 GLN A 84 33.834 16.953 -1.519 1.00 0.00 O ATOM 1316 NE2 GLN A 84 34.546 15.116 -2.596 1.00 0.00 N ATOM 0 H GLN A 84 32.604 14.495 -2.926 1.00 0.00 H new ATOM 0 HA GLN A 84 30.976 13.033 -1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 84 32.879 13.029 0.254 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.516 13.049 -1.378 1.00 0.00 H new ATOM 0 HG2 GLN A 84 33.240 15.478 0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 84 34.724 14.591 0.143 1.00 0.00 H new ATOM 0 HE21 GLN A 84 34.716 14.111 -2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 84 34.752 15.640 -3.446 1.00 0.00 H new ATOM 1325 N LEU A 85 31.132 16.263 -0.630 1.00 0.00 N ATOM 1326 CA LEU A 85 30.542 17.363 0.124 1.00 0.00 C ATOM 1327 C LEU A 85 29.038 17.443 -0.115 1.00 0.00 C ATOM 1328 O LEU A 85 28.272 17.776 0.790 1.00 0.00 O ATOM 1329 CB LEU A 85 31.203 18.687 -0.266 1.00 0.00 C ATOM 1330 CG LEU A 85 32.550 18.985 0.393 1.00 0.00 C ATOM 1331 CD1 LEU A 85 33.403 19.863 -0.509 1.00 0.00 C ATOM 1332 CD2 LEU A 85 32.345 19.648 1.747 1.00 0.00 C ATOM 0 H LEU A 85 31.730 16.555 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 85 30.713 17.177 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.340 18.697 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.516 19.498 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 85 33.074 18.042 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 85 34.358 20.065 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.578 19.351 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 85 32.885 20.804 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 85 33.314 19.853 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 85 31.801 20.583 1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 85 31.773 18.983 2.395 1.00 0.00 H new ATOM 1344 N TYR A 86 28.621 17.133 -1.337 1.00 0.00 N ATOM 1345 CA TYR A 86 27.208 17.170 -1.695 1.00 0.00 C ATOM 1346 C TYR A 86 26.402 16.205 -0.831 1.00 0.00 C ATOM 1347 O TYR A 86 25.294 16.520 -0.396 1.00 0.00 O ATOM 1348 CB TYR A 86 27.026 16.822 -3.174 1.00 0.00 C ATOM 1349 CG TYR A 86 25.579 16.677 -3.587 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.608 17.548 -3.107 1.00 0.00 C ATOM 1351 CD2 TYR A 86 25.182 15.670 -4.458 1.00 0.00 C ATOM 1352 CE1 TYR A 86 23.285 17.419 -3.482 1.00 0.00 C ATOM 1353 CE2 TYR A 86 23.861 15.535 -4.839 1.00 0.00 C ATOM 1354 CZ TYR A 86 22.916 16.411 -4.348 1.00 0.00 C ATOM 1355 OH TYR A 86 21.599 16.279 -4.725 1.00 0.00 O ATOM 0 H TYR A 86 29.241 16.853 -2.097 1.00 0.00 H new ATOM 0 HA TYR A 86 26.841 18.181 -1.518 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.493 17.597 -3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.551 15.891 -3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 86 24.893 18.339 -2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 86 25.919 14.981 -4.844 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.543 18.104 -3.099 1.00 0.00 H new ATOM 0 HE2 TYR A 86 23.570 14.747 -5.518 1.00 0.00 H new ATOM 0 HH TYR A 86 21.509 15.521 -5.339 1.00 0.00 H new ATOM 1365 N PHE A 87 26.968 15.028 -0.585 1.00 0.00 N ATOM 1366 CA PHE A 87 26.303 14.015 0.227 1.00 0.00 C ATOM 1367 C PHE A 87 26.179 14.476 1.676 1.00 0.00 C ATOM 1368 O PHE A 87 25.119 14.352 2.290 1.00 0.00 O ATOM 1369 CB PHE A 87 27.073 12.694 0.164 1.00 0.00 C ATOM 1370 CG PHE A 87 26.561 11.656 1.121 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.257 11.197 1.034 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.385 11.140 2.108 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.784 10.242 1.914 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.918 10.185 2.991 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.616 9.734 2.893 1.00 0.00 C ATOM 0 H PHE A 87 27.885 14.752 -0.936 1.00 0.00 H new ATOM 0 HA PHE A 87 25.301 13.863 -0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 87 27.019 12.299 -0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 87 28.125 12.885 0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.603 11.590 0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.404 11.488 2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.765 9.893 1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.570 9.792 3.757 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.249 8.986 3.580 1.00 0.00 H new ATOM 1385 N SER A 88 27.271 15.007 2.218 1.00 0.00 N ATOM 1386 CA SER A 88 27.287 15.482 3.596 1.00 0.00 C ATOM 1387 C SER A 88 26.354 16.676 3.770 1.00 0.00 C ATOM 1388 O SER A 88 25.691 16.816 4.798 1.00 0.00 O ATOM 1389 CB SER A 88 28.709 15.867 4.009 1.00 0.00 C ATOM 1390 OG SER A 88 28.995 17.210 3.659 1.00 0.00 O ATOM 0 H SER A 88 28.156 15.119 1.723 1.00 0.00 H new ATOM 0 HA SER A 88 26.937 14.673 4.237 1.00 0.00 H new ATOM 0 HB2 SER A 88 28.827 15.735 5.085 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.424 15.202 3.526 1.00 0.00 H new ATOM 0 HG SER A 88 28.826 17.342 2.703 1.00 0.00 H new ATOM 1396 N ARG A 89 26.309 17.536 2.757 1.00 0.00 N ATOM 1397 CA ARG A 89 25.458 18.720 2.797 1.00 0.00 C ATOM 1398 C ARG A 89 23.986 18.329 2.891 1.00 0.00 C ATOM 1399 O ARG A 89 23.257 18.818 3.753 1.00 0.00 O ATOM 1400 CB ARG A 89 25.690 19.582 1.555 1.00 0.00 C ATOM 1401 CG ARG A 89 26.888 20.510 1.673 1.00 0.00 C ATOM 1402 CD ARG A 89 27.249 21.127 0.331 1.00 0.00 C ATOM 1403 NE ARG A 89 28.157 22.262 0.477 1.00 0.00 N ATOM 1404 CZ ARG A 89 27.795 23.431 0.992 1.00 0.00 C ATOM 1405 NH1 ARG A 89 26.550 23.619 1.410 1.00 0.00 N ATOM 1406 NH2 ARG A 89 28.678 24.416 1.092 1.00 0.00 N ATOM 0 H ARG A 89 26.851 17.435 1.899 1.00 0.00 H new ATOM 0 HA ARG A 89 25.720 19.296 3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 89 25.829 18.931 0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 89 24.797 20.177 1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 89 26.668 21.300 2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 89 27.742 19.955 2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 89 27.713 20.371 -0.303 1.00 0.00 H new ATOM 0 HD3 ARG A 89 26.340 21.453 -0.175 1.00 0.00 H new ATOM 0 HE ARG A 89 29.122 22.150 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 89 25.868 22.864 1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 89 26.275 24.518 1.805 1.00 0.00 H new ATOM 0 HH21 ARG A 89 29.637 24.276 0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 89 28.398 25.313 1.488 1.00 0.00 H new ATOM 1420 N VAL A 90 23.556 17.444 1.997 1.00 0.00 N ATOM 1421 CA VAL A 90 22.172 16.986 1.979 1.00 0.00 C ATOM 1422 C VAL A 90 21.873 16.092 3.177 1.00 0.00 C ATOM 1423 O VAL A 90 20.847 16.246 3.840 1.00 0.00 O ATOM 1424 CB VAL A 90 21.852 16.216 0.685 1.00 0.00 C ATOM 1425 CG1 VAL A 90 20.419 15.706 0.707 1.00 0.00 C ATOM 1426 CG2 VAL A 90 22.095 17.096 -0.532 1.00 0.00 C ATOM 0 H VAL A 90 24.147 17.030 1.276 1.00 0.00 H new ATOM 0 HA VAL A 90 21.544 17.876 2.028 1.00 0.00 H new ATOM 0 HB VAL A 90 22.517 15.355 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.211 15.164 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.283 15.038 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.734 16.549 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 90 21.864 16.536 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 90 21.456 17.977 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 90 23.140 17.406 -0.554 1.00 0.00 H new ATOM 1436 N PHE A 91 22.776 15.156 3.450 1.00 0.00 N ATOM 1437 CA PHE A 91 22.609 14.236 4.569 1.00 0.00 C ATOM 1438 C PHE A 91 22.557 14.993 5.893 1.00 0.00 C ATOM 1439 O PHE A 91 21.829 14.613 6.810 1.00 0.00 O ATOM 1440 CB PHE A 91 23.752 13.219 4.594 1.00 0.00 C ATOM 1441 CG PHE A 91 23.770 12.368 5.832 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.450 12.784 6.965 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.105 11.152 5.862 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.468 12.002 8.105 1.00 0.00 C ATOM 1445 CE2 PHE A 91 23.120 10.367 7.000 1.00 0.00 C ATOM 1446 CZ PHE A 91 23.801 10.793 8.123 1.00 0.00 C ATOM 0 H PHE A 91 23.631 15.015 2.912 1.00 0.00 H new ATOM 0 HA PHE A 91 21.665 13.708 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.672 12.573 3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.701 13.749 4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 91 24.972 13.730 6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.569 10.814 4.987 1.00 0.00 H new ATOM 0 HE1 PHE A 91 25.004 12.337 8.981 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.599 9.421 7.011 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.812 10.182 9.014 1.00 0.00 H new ATOM 1456 N LYS A 92 23.335 16.066 5.985 1.00 0.00 N ATOM 1457 CA LYS A 92 23.379 16.878 7.195 1.00 0.00 C ATOM 1458 C LYS A 92 21.989 17.390 7.557 1.00 0.00 C ATOM 1459 O LYS A 92 21.555 17.281 8.704 1.00 0.00 O ATOM 1460 CB LYS A 92 24.336 18.057 7.008 1.00 0.00 C ATOM 1461 CG LYS A 92 24.303 19.055 8.153 1.00 0.00 C ATOM 1462 CD LYS A 92 25.565 19.900 8.192 1.00 0.00 C ATOM 1463 CE LYS A 92 25.394 21.115 9.092 1.00 0.00 C ATOM 1464 NZ LYS A 92 26.702 21.737 9.439 1.00 0.00 N ATOM 0 H LYS A 92 23.944 16.394 5.235 1.00 0.00 H new ATOM 0 HA LYS A 92 23.740 16.251 8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.351 17.676 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.087 18.573 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 92 23.433 19.703 8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 92 24.191 18.523 9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 92 26.398 19.295 8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 92 25.818 20.226 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.763 21.851 8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.878 20.820 10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 26.543 22.561 10.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 27.295 21.043 9.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 27.183 22.042 8.569 1.00 0.00 H new ATOM 1478 N LYS A 93 21.293 17.947 6.572 1.00 0.00 N ATOM 1479 CA LYS A 93 19.950 18.474 6.785 1.00 0.00 C ATOM 1480 C LYS A 93 18.929 17.343 6.869 1.00 0.00 C ATOM 1481 O LYS A 93 17.874 17.492 7.485 1.00 0.00 O ATOM 1482 CB LYS A 93 19.572 19.435 5.656 1.00 0.00 C ATOM 1483 CG LYS A 93 20.135 20.834 5.834 1.00 0.00 C ATOM 1484 CD LYS A 93 21.557 20.934 5.306 1.00 0.00 C ATOM 1485 CE LYS A 93 21.580 21.357 3.845 1.00 0.00 C ATOM 1486 NZ LYS A 93 21.128 22.764 3.667 1.00 0.00 N ATOM 0 H LYS A 93 21.637 18.045 5.617 1.00 0.00 H new ATOM 0 HA LYS A 93 19.945 19.015 7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.927 19.027 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.486 19.495 5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.501 21.551 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.118 21.102 6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 93 22.118 21.653 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 93 22.055 19.971 5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 93 22.591 21.248 3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.939 20.694 3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.509 23.141 2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.089 22.794 3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.470 23.342 4.461 1.00 0.00 H new ATOM 1500 N CYS A 94 19.251 16.215 6.246 1.00 0.00 N ATOM 1501 CA CYS A 94 18.362 15.059 6.251 1.00 0.00 C ATOM 1502 C CYS A 94 18.062 14.609 7.677 1.00 0.00 C ATOM 1503 O CYS A 94 16.904 14.415 8.049 1.00 0.00 O ATOM 1504 CB CYS A 94 18.984 13.907 5.460 1.00 0.00 C ATOM 1505 SG CYS A 94 17.780 12.743 4.780 1.00 0.00 S ATOM 0 H CYS A 94 20.121 16.076 5.731 1.00 0.00 H new ATOM 0 HA CYS A 94 17.425 15.351 5.777 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.576 14.320 4.643 1.00 0.00 H new ATOM 0 HB3 CYS A 94 19.671 13.364 6.109 1.00 0.00 H new ATOM 0 HG CYS A 94 17.905 12.695 3.487 1.00 0.00 H new ATOM 1511 N THR A 95 19.114 14.443 8.473 1.00 0.00 N ATOM 1512 CA THR A 95 18.965 14.013 9.858 1.00 0.00 C ATOM 1513 C THR A 95 19.209 15.169 10.821 1.00 0.00 C ATOM 1514 O THR A 95 18.934 15.063 12.016 1.00 0.00 O ATOM 1515 CB THR A 95 19.932 12.864 10.197 1.00 0.00 C ATOM 1516 OG1 THR A 95 21.278 13.254 9.902 1.00 0.00 O ATOM 1517 CG2 THR A 95 19.579 11.610 9.412 1.00 0.00 C ATOM 0 H THR A 95 20.079 14.600 8.182 1.00 0.00 H new ATOM 0 HA THR A 95 17.940 13.660 9.971 1.00 0.00 H new ATOM 0 HB THR A 95 19.842 12.645 11.261 1.00 0.00 H new ATOM 0 HG1 THR A 95 21.887 12.519 10.122 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.276 10.812 9.668 1.00 0.00 H new ATOM 0 HG22 THR A 95 18.564 11.299 9.660 1.00 0.00 H new ATOM 0 HG23 THR A 95 19.643 11.819 8.344 1.00 0.00 H new ATOM 1525 N GLY A 96 19.726 16.275 10.294 1.00 0.00 N ATOM 1526 CA GLY A 96 19.997 17.435 11.122 1.00 0.00 C ATOM 1527 C GLY A 96 21.437 17.487 11.593 1.00 0.00 C ATOM 1528 O GLY A 96 21.866 18.472 12.193 1.00 0.00 O ATOM 0 H GLY A 96 19.962 16.388 9.308 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.769 18.340 10.560 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.335 17.422 11.988 1.00 0.00 H new ATOM 1532 N ALA A 97 22.185 16.422 11.323 1.00 0.00 N ATOM 1533 CA ALA A 97 23.585 16.351 11.723 1.00 0.00 C ATOM 1534 C ALA A 97 24.445 15.760 10.611 1.00 0.00 C ATOM 1535 O ALA A 97 23.983 14.922 9.836 1.00 0.00 O ATOM 1536 CB ALA A 97 23.729 15.530 12.996 1.00 0.00 C ATOM 0 H ALA A 97 21.845 15.597 10.829 1.00 0.00 H new ATOM 0 HA ALA A 97 23.934 17.366 11.916 1.00 0.00 H new ATOM 0 HB1 ALA A 97 24.780 15.485 13.283 1.00 0.00 H new ATOM 0 HB2 ALA A 97 23.154 15.995 13.796 1.00 0.00 H new ATOM 0 HB3 ALA A 97 23.357 14.520 12.822 1.00 0.00 H new ATOM 1542 N SER A 98 25.696 16.202 10.537 1.00 0.00 N ATOM 1543 CA SER A 98 26.618 15.720 9.516 1.00 0.00 C ATOM 1544 C SER A 98 26.914 14.235 9.709 1.00 0.00 C ATOM 1545 O SER A 98 26.681 13.663 10.773 1.00 0.00 O ATOM 1546 CB SER A 98 27.922 16.520 9.557 1.00 0.00 C ATOM 1547 OG SER A 98 28.084 17.166 10.808 1.00 0.00 O ATOM 0 H SER A 98 26.094 16.893 11.172 1.00 0.00 H new ATOM 0 HA SER A 98 26.147 15.856 8.543 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.766 15.855 9.375 1.00 0.00 H new ATOM 0 HB3 SER A 98 27.923 17.262 8.758 1.00 0.00 H new ATOM 0 HG SER A 98 28.925 17.669 10.810 1.00 0.00 H new ATOM 1553 N PRO A 99 27.440 13.596 8.653 1.00 0.00 N ATOM 1554 CA PRO A 99 27.780 12.170 8.680 1.00 0.00 C ATOM 1555 C PRO A 99 28.976 11.877 9.579 1.00 0.00 C ATOM 1556 O PRO A 99 29.057 10.813 10.193 1.00 0.00 O ATOM 1557 CB PRO A 99 28.118 11.859 7.220 1.00 0.00 C ATOM 1558 CG PRO A 99 28.551 13.163 6.645 1.00 0.00 C ATOM 1559 CD PRO A 99 27.744 14.216 7.353 1.00 0.00 C ATOM 0 HA PRO A 99 26.968 11.564 9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 99 28.909 11.112 7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.253 11.460 6.690 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.619 13.321 6.797 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.374 13.193 5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.307 15.142 7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 99 26.836 14.463 6.803 1.00 0.00 H new ATOM 1567 N SER A 100 29.904 12.826 9.650 1.00 0.00 N ATOM 1568 CA SER A 100 31.098 12.667 10.472 1.00 0.00 C ATOM 1569 C SER A 100 30.740 12.650 11.954 1.00 0.00 C ATOM 1570 O SER A 100 31.373 11.955 12.749 1.00 0.00 O ATOM 1571 CB SER A 100 32.092 13.795 10.188 1.00 0.00 C ATOM 1572 OG SER A 100 31.738 14.974 10.891 1.00 0.00 O ATOM 0 H SER A 100 29.852 13.713 9.148 1.00 0.00 H new ATOM 0 HA SER A 100 31.559 11.713 10.218 1.00 0.00 H new ATOM 0 HB2 SER A 100 33.095 13.482 10.478 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.119 14.000 9.118 1.00 0.00 H new ATOM 0 HG SER A 100 32.389 15.680 10.695 1.00 0.00 H new ATOM 1578 N GLU A 101 29.719 13.420 12.319 1.00 0.00 N ATOM 1579 CA GLU A 101 29.277 13.494 13.707 1.00 0.00 C ATOM 1580 C GLU A 101 28.516 12.232 14.103 1.00 0.00 C ATOM 1581 O GLU A 101 28.773 11.643 15.154 1.00 0.00 O ATOM 1582 CB GLU A 101 28.391 14.724 13.918 1.00 0.00 C ATOM 1583 CG GLU A 101 28.070 15.000 15.377 1.00 0.00 C ATOM 1584 CD GLU A 101 28.487 16.391 15.813 1.00 0.00 C ATOM 1585 OE1 GLU A 101 29.698 16.607 16.027 1.00 0.00 O ATOM 1586 OE2 GLU A 101 27.603 17.263 15.941 1.00 0.00 O ATOM 0 H GLU A 101 29.183 14.000 11.674 1.00 0.00 H new ATOM 0 HA GLU A 101 30.161 13.579 14.339 1.00 0.00 H new ATOM 0 HB2 GLU A 101 28.888 15.596 13.493 1.00 0.00 H new ATOM 0 HB3 GLU A 101 27.459 14.589 13.369 1.00 0.00 H new ATOM 0 HG2 GLU A 101 26.999 14.878 15.539 1.00 0.00 H new ATOM 0 HG3 GLU A 101 28.573 14.262 16.002 1.00 0.00 H new ATOM 1593 N PHE A 102 27.578 11.822 13.255 1.00 0.00 N ATOM 1594 CA PHE A 102 26.779 10.632 13.517 1.00 0.00 C ATOM 1595 C PHE A 102 27.666 9.395 13.634 1.00 0.00 C ATOM 1596 O PHE A 102 27.506 8.588 14.550 1.00 0.00 O ATOM 1597 CB PHE A 102 25.747 10.430 12.405 1.00 0.00 C ATOM 1598 CG PHE A 102 24.551 9.630 12.836 1.00 0.00 C ATOM 1599 CD1 PHE A 102 23.465 10.250 13.433 1.00 0.00 C ATOM 1600 CD2 PHE A 102 24.511 8.259 12.643 1.00 0.00 C ATOM 1601 CE1 PHE A 102 22.363 9.517 13.830 1.00 0.00 C ATOM 1602 CE2 PHE A 102 23.412 7.520 13.038 1.00 0.00 C ATOM 1603 CZ PHE A 102 22.336 8.150 13.632 1.00 0.00 C ATOM 0 H PHE A 102 27.353 12.297 12.381 1.00 0.00 H new ATOM 0 HA PHE A 102 26.259 10.775 14.464 1.00 0.00 H new ATOM 0 HB2 PHE A 102 25.413 11.404 12.049 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.225 9.929 11.563 1.00 0.00 H new ATOM 0 HD1 PHE A 102 23.480 11.318 13.590 1.00 0.00 H new ATOM 0 HD2 PHE A 102 25.349 7.761 12.178 1.00 0.00 H new ATOM 0 HE1 PHE A 102 21.523 10.012 14.295 1.00 0.00 H new ATOM 0 HE2 PHE A 102 23.395 6.451 12.882 1.00 0.00 H new ATOM 0 HZ PHE A 102 21.475 7.575 13.941 1.00 0.00 H new ATOM 1613 N ARG A 103 28.600 9.255 12.700 1.00 0.00 N ATOM 1614 CA ARG A 103 29.512 8.117 12.696 1.00 0.00 C ATOM 1615 C ARG A 103 30.320 8.064 13.989 1.00 0.00 C ATOM 1616 O ARG A 103 30.546 6.991 14.548 1.00 0.00 O ATOM 1617 CB ARG A 103 30.455 8.196 11.495 1.00 0.00 C ATOM 1618 CG ARG A 103 31.271 6.932 11.277 1.00 0.00 C ATOM 1619 CD ARG A 103 30.504 5.910 10.453 1.00 0.00 C ATOM 1620 NE ARG A 103 31.212 4.635 10.366 1.00 0.00 N ATOM 1621 CZ ARG A 103 31.211 3.726 11.335 1.00 0.00 C ATOM 1622 NH1 ARG A 103 30.542 3.950 12.457 1.00 0.00 N ATOM 1623 NH2 ARG A 103 31.879 2.590 11.181 1.00 0.00 N ATOM 0 H ARG A 103 28.746 9.915 11.936 1.00 0.00 H new ATOM 0 HA ARG A 103 28.917 7.207 12.622 1.00 0.00 H new ATOM 0 HB2 ARG A 103 29.871 8.400 10.598 1.00 0.00 H new ATOM 0 HB3 ARG A 103 31.134 9.038 11.632 1.00 0.00 H new ATOM 0 HG2 ARG A 103 32.204 7.182 10.772 1.00 0.00 H new ATOM 0 HG3 ARG A 103 31.537 6.498 12.241 1.00 0.00 H new ATOM 0 HD2 ARG A 103 29.522 5.750 10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 103 30.340 6.303 9.450 1.00 0.00 H new ATOM 0 HE ARG A 103 31.736 4.432 9.515 1.00 0.00 H new ATOM 0 HH11 ARG A 103 30.026 4.822 12.578 1.00 0.00 H new ATOM 0 HH12 ARG A 103 30.543 3.251 13.199 1.00 0.00 H new ATOM 0 HH21 ARG A 103 32.394 2.414 10.318 1.00 0.00 H new ATOM 0 HH22 ARG A 103 31.878 1.893 11.925 1.00 0.00 H new ATOM 1637 N ALA A 104 30.753 9.229 14.458 1.00 0.00 N ATOM 1638 CA ALA A 104 31.535 9.315 15.686 1.00 0.00 C ATOM 1639 C ALA A 104 30.697 8.929 16.899 1.00 0.00 C ATOM 1640 O ALA A 104 31.226 8.473 17.912 1.00 0.00 O ATOM 1641 CB ALA A 104 32.098 10.719 15.855 1.00 0.00 C ATOM 0 H ALA A 104 30.576 10.126 14.007 1.00 0.00 H new ATOM 0 HA ALA A 104 32.363 8.610 15.611 1.00 0.00 H new ATOM 0 HB1 ALA A 104 32.680 10.769 16.776 1.00 0.00 H new ATOM 0 HB2 ALA A 104 32.740 10.958 15.007 1.00 0.00 H new ATOM 0 HB3 ALA A 104 31.279 11.436 15.904 1.00 0.00 H new ATOM 1647 N GLY A 105 29.384 9.115 16.790 1.00 0.00 N ATOM 1648 CA GLY A 105 28.494 8.782 17.886 1.00 0.00 C ATOM 1649 C GLY A 105 28.285 9.943 18.837 1.00 0.00 C ATOM 1650 O GLY A 105 27.433 9.882 19.724 1.00 0.00 O ATOM 0 H GLY A 105 28.922 9.490 15.962 1.00 0.00 H new ATOM 0 HA2 GLY A 105 27.531 8.467 17.485 1.00 0.00 H new ATOM 0 HA3 GLY A 105 28.902 7.934 18.437 1.00 0.00 H new ATOM 1654 N CYS A 106 29.066 11.002 18.655 1.00 0.00 N ATOM 1655 CA CYS A 106 28.965 12.182 19.507 1.00 0.00 C ATOM 1656 C CYS A 106 27.645 12.911 19.272 1.00 0.00 C ATOM 1657 O CYS A 106 27.352 13.337 18.156 1.00 0.00 O ATOM 1658 CB CYS A 106 30.137 13.128 19.245 1.00 0.00 C ATOM 1659 SG CYS A 106 30.253 14.502 20.414 1.00 0.00 S ATOM 0 H CYS A 106 29.776 11.068 17.926 1.00 0.00 H new ATOM 0 HA CYS A 106 28.998 11.853 20.546 1.00 0.00 H new ATOM 0 HB2 CYS A 106 31.065 12.557 19.279 1.00 0.00 H new ATOM 0 HB3 CYS A 106 30.047 13.530 18.236 1.00 0.00 H new ATOM 0 HG CYS A 106 31.276 15.244 20.111 1.00 0.00 H new