USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 661 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 57 GLN : amide:sc= 0.373 K(o=0.67,f=-1.2) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.294 K(o=0.67,f=-1.2) USER MOD Set 2.1: A 19 ASN : amide:sc= 1.01 K(o=2.2,f=-1.8) USER MOD Set 2.2: A 31 GLN : amide:sc= 1.15 K(o=2.2,f=-0.55) USER MOD Single : A 17 HIS : no HD1:sc= -1.79 X(o=-1.8,f=-1.9) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 1.26 (180deg=0.978) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -121:sc= 1.14 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0023 X(o=-0.0023,f=-0.044) USER MOD Single : A 38 THR OG1 : rot 79:sc= 0.996 USER MOD Single : A 41 SER OG : rot -124:sc= 0.155 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00994) USER MOD Single : A 44 MET CE :methyl -173:sc= -0.183 (180deg=-0.334) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -72:sc= 0.0348 USER MOD Single : A 51 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.17) USER MOD Single : A 54 SER OG : rot 180:sc= 0.48 USER MOD Single : A 55 MET CE :methyl -124:sc= -0.0647 (180deg=-1.19) USER MOD Single : A 65 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.64) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 75 GLN : amide:sc=-0.00989 K(o=-0.0099,f=-0.73) USER MOD Single : A 78 MET CE :methyl -116:sc=-0.00738 (180deg=-2.35!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.1) USER MOD Single : A 90 GLN : amide:sc= -0.366 K(o=-0.37,f=-3.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0536 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 17 7.449 13.257 1.676 1.00 10.00 N ATOM 14 CA HIS A 17 6.499 12.171 1.484 1.00 10.00 C ATOM 15 C HIS A 17 5.143 12.718 1.080 1.00 10.00 C ATOM 16 O HIS A 17 4.669 13.707 1.647 1.00 10.00 O ATOM 17 CB HIS A 17 6.349 11.344 2.764 1.00 10.00 C ATOM 18 CG HIS A 17 7.538 10.496 3.094 1.00 10.00 C ATOM 19 ND1 HIS A 17 8.477 10.909 4.008 1.00 10.00 N ATOM 20 CD2 HIS A 17 7.882 9.272 2.626 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.368 9.933 4.077 1.00 10.00 C ATOM 22 NE2 HIS A 17 9.048 8.924 3.255 1.00 10.00 N ATOM 0 HA HIS A 17 6.883 11.530 0.690 1.00 10.00 H new ATOM 0 HB2 HIS A 17 6.156 12.019 3.598 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.475 10.701 2.666 1.00 10.00 H new ATOM 0 HD2 HIS A 17 7.342 8.685 1.898 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.240 9.948 4.714 1.00 10.00 H new ATOM 0 HE2 HIS A 17 9.574 8.060 3.123 1.00 10.00 H new ATOM 30 N ILE A 18 4.531 12.087 0.098 1.00 10.00 N ATOM 31 CA ILE A 18 3.220 12.489 -0.369 1.00 10.00 C ATOM 32 C ILE A 18 2.167 11.616 0.309 1.00 10.00 C ATOM 33 O ILE A 18 2.235 10.386 0.257 1.00 10.00 O ATOM 34 CB ILE A 18 3.108 12.400 -1.916 1.00 10.00 C ATOM 35 CG1 ILE A 18 1.689 12.751 -2.384 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.510 11.020 -2.427 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.565 12.890 -3.887 1.00 10.00 C ATOM 0 H ILE A 18 4.925 11.286 -0.396 1.00 10.00 H new ATOM 0 HA ILE A 18 3.055 13.534 -0.105 1.00 10.00 H new ATOM 0 HB ILE A 18 3.802 13.129 -2.335 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.000 11.979 -2.041 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.381 13.685 -1.914 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.420 10.994 -3.513 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.542 10.814 -2.144 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.856 10.265 -1.990 1.00 10.00 H new ATOM 0 HD11 ILE A 18 0.536 13.139 -4.146 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.228 13.682 -4.235 1.00 10.00 H new ATOM 0 HD13 ILE A 18 1.842 11.950 -4.363 1.00 10.00 H new ATOM 49 N ASN A 19 1.221 12.253 0.974 1.00 10.00 N ATOM 50 CA ASN A 19 0.178 11.524 1.682 1.00 10.00 C ATOM 51 C ASN A 19 -1.037 11.329 0.795 1.00 10.00 C ATOM 52 O ASN A 19 -1.620 12.288 0.302 1.00 10.00 O ATOM 53 CB ASN A 19 -0.212 12.259 2.964 1.00 10.00 C ATOM 54 CG ASN A 19 0.836 12.127 4.052 1.00 10.00 C ATOM 55 OD1 ASN A 19 0.798 11.200 4.863 1.00 10.00 O ATOM 56 ND2 ASN A 19 1.781 13.054 4.079 1.00 10.00 N ATOM 0 H ASN A 19 1.151 13.268 1.040 1.00 10.00 H new ATOM 0 HA ASN A 19 0.569 10.542 1.949 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.368 13.314 2.741 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -1.161 11.867 3.329 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.512 13.016 4.789 1.00 10.00 H new ATOM 0 HD22 ASN A 19 1.778 13.806 3.390 1.00 10.00 H new ATOM 63 N LEU A 20 -1.404 10.081 0.583 1.00 10.00 N ATOM 64 CA LEU A 20 -2.552 9.756 -0.245 1.00 10.00 C ATOM 65 C LEU A 20 -3.638 9.098 0.596 1.00 10.00 C ATOM 66 O LEU A 20 -3.338 8.338 1.515 1.00 10.00 O ATOM 67 CB LEU A 20 -2.128 8.835 -1.389 1.00 10.00 C ATOM 68 CG LEU A 20 -0.993 9.379 -2.260 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.359 8.262 -3.072 1.00 10.00 C ATOM 70 CD2 LEU A 20 -1.500 10.485 -3.172 1.00 10.00 C ATOM 0 H LEU A 20 -0.923 9.271 0.974 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.955 10.676 -0.669 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.820 7.877 -0.971 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.994 8.643 -2.023 1.00 10.00 H new ATOM 0 HG LEU A 20 -0.230 9.800 -1.605 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.446 8.669 -3.685 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.045 7.506 -2.398 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -1.112 7.808 -3.717 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.678 10.858 -3.783 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -2.284 10.092 -3.819 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.902 11.299 -2.568 1.00 10.00 H new ATOM 82 N LYS A 21 -4.891 9.394 0.290 1.00 10.00 N ATOM 83 CA LYS A 21 -6.009 8.835 1.037 1.00 10.00 C ATOM 84 C LYS A 21 -6.694 7.719 0.259 1.00 10.00 C ATOM 85 O LYS A 21 -7.080 7.896 -0.899 1.00 10.00 O ATOM 86 CB LYS A 21 -7.036 9.921 1.356 1.00 10.00 C ATOM 87 CG LYS A 21 -6.482 11.093 2.145 1.00 10.00 C ATOM 88 CD LYS A 21 -7.493 12.225 2.216 1.00 10.00 C ATOM 89 CE LYS A 21 -6.952 13.402 3.000 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.825 14.598 2.874 1.00 10.00 N ATOM 0 H LYS A 21 -5.161 10.018 -0.470 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.607 8.424 1.963 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -7.456 10.293 0.421 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.856 9.475 1.918 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -6.222 10.768 3.153 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.564 11.449 1.678 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.753 12.546 1.207 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -8.411 11.866 2.682 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -6.861 13.128 4.051 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -5.950 13.645 2.646 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -7.310 15.440 3.201 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -8.099 14.725 1.879 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -8.679 14.467 3.454 1.00 10.00 H new ATOM 104 N VAL A 22 -6.835 6.572 0.895 1.00 10.00 N ATOM 105 CA VAL A 22 -7.504 5.439 0.280 1.00 10.00 C ATOM 106 C VAL A 22 -8.990 5.498 0.606 1.00 10.00 C ATOM 107 O VAL A 22 -9.374 5.520 1.777 1.00 10.00 O ATOM 108 CB VAL A 22 -6.921 4.103 0.777 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.608 2.923 0.105 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.422 4.056 0.532 1.00 10.00 C ATOM 0 H VAL A 22 -6.494 6.399 1.841 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.350 5.494 -0.798 1.00 10.00 H new ATOM 0 HB VAL A 22 -7.102 4.032 1.849 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -7.177 1.992 0.474 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -8.674 2.945 0.333 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.466 2.986 -0.974 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -5.025 3.106 0.889 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.225 4.154 -0.535 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.940 4.874 1.067 1.00 10.00 H new ATOM 120 N ALA A 23 -9.821 5.552 -0.421 1.00 10.00 N ATOM 121 CA ALA A 23 -11.257 5.620 -0.228 1.00 10.00 C ATOM 122 C ALA A 23 -11.890 4.240 -0.315 1.00 10.00 C ATOM 123 O ALA A 23 -12.133 3.725 -1.410 1.00 10.00 O ATOM 124 CB ALA A 23 -11.885 6.552 -1.250 1.00 10.00 C ATOM 0 H ALA A 23 -9.524 5.550 -1.397 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.443 6.014 0.771 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.963 6.592 -1.092 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.464 7.551 -1.138 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.679 6.182 -2.254 1.00 10.00 H new ATOM 130 N GLY A 24 -12.141 3.640 0.840 1.00 10.00 N ATOM 131 CA GLY A 24 -12.761 2.333 0.877 1.00 10.00 C ATOM 132 C GLY A 24 -14.260 2.442 0.713 1.00 10.00 C ATOM 133 O GLY A 24 -14.857 3.431 1.141 1.00 10.00 O ATOM 0 H GLY A 24 -11.925 4.037 1.754 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.349 1.708 0.085 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.529 1.843 1.823 1.00 10.00 H new ATOM 137 N GLN A 25 -14.874 1.432 0.113 1.00 10.00 N ATOM 138 CA GLN A 25 -16.318 1.437 -0.118 1.00 10.00 C ATOM 139 C GLN A 25 -17.094 1.355 1.197 1.00 10.00 C ATOM 140 O GLN A 25 -18.300 1.595 1.237 1.00 10.00 O ATOM 141 CB GLN A 25 -16.712 0.278 -1.035 1.00 10.00 C ATOM 142 CG GLN A 25 -16.182 0.410 -2.458 1.00 10.00 C ATOM 143 CD GLN A 25 -17.049 1.303 -3.330 1.00 10.00 C ATOM 144 OE1 GLN A 25 -18.006 0.837 -3.946 1.00 10.00 O ATOM 145 NE2 GLN A 25 -16.708 2.580 -3.414 1.00 10.00 N ATOM 0 H GLN A 25 -14.397 0.596 -0.224 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.575 2.379 -0.602 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.344 -0.654 -0.605 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.799 0.207 -1.068 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -15.169 0.812 -2.428 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.118 -0.580 -2.910 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -15.907 2.930 -2.888 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -17.246 3.214 -4.005 1.00 10.00 H new ATOM 154 N ASP A 26 -16.393 1.017 2.272 1.00 10.00 N ATOM 155 CA ASP A 26 -17.011 0.912 3.590 1.00 10.00 C ATOM 156 C ASP A 26 -16.977 2.257 4.312 1.00 10.00 C ATOM 157 O ASP A 26 -17.647 2.440 5.330 1.00 10.00 O ATOM 158 CB ASP A 26 -16.315 -0.162 4.432 1.00 10.00 C ATOM 159 CG ASP A 26 -14.840 0.112 4.629 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.108 0.179 3.622 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.405 0.251 5.787 1.00 10.00 O ATOM 0 H ASP A 26 -15.394 0.810 2.258 1.00 10.00 H new ATOM 0 HA ASP A 26 -18.052 0.621 3.452 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -16.801 -0.226 5.405 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.439 -1.132 3.950 1.00 10.00 H new ATOM 166 N GLY A 27 -16.195 3.196 3.785 1.00 10.00 N ATOM 167 CA GLY A 27 -16.127 4.517 4.382 1.00 10.00 C ATOM 168 C GLY A 27 -14.862 4.772 5.182 1.00 10.00 C ATOM 169 O GLY A 27 -14.657 5.885 5.668 1.00 10.00 O ATOM 0 H GLY A 27 -15.610 3.066 2.959 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -16.202 5.265 3.593 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.990 4.654 5.034 1.00 10.00 H new ATOM 173 N SER A 28 -14.012 3.764 5.327 1.00 10.00 N ATOM 174 CA SER A 28 -12.776 3.929 6.084 1.00 10.00 C ATOM 175 C SER A 28 -11.748 4.735 5.289 1.00 10.00 C ATOM 176 O SER A 28 -11.851 4.859 4.062 1.00 10.00 O ATOM 177 CB SER A 28 -12.202 2.565 6.478 1.00 10.00 C ATOM 178 OG SER A 28 -12.219 1.661 5.388 1.00 10.00 O ATOM 0 H SER A 28 -14.152 2.833 4.936 1.00 10.00 H new ATOM 0 HA SER A 28 -13.008 4.484 6.993 1.00 10.00 H new ATOM 0 HB2 SER A 28 -11.179 2.688 6.834 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.779 2.151 7.305 1.00 10.00 H new ATOM 0 HG SER A 28 -12.757 0.876 5.622 1.00 10.00 H new ATOM 184 N VAL A 29 -10.762 5.289 5.989 1.00 10.00 N ATOM 185 CA VAL A 29 -9.731 6.085 5.344 1.00 10.00 C ATOM 186 C VAL A 29 -8.337 5.590 5.725 1.00 10.00 C ATOM 187 O VAL A 29 -8.036 5.368 6.901 1.00 10.00 O ATOM 188 CB VAL A 29 -9.869 7.588 5.696 1.00 10.00 C ATOM 189 CG1 VAL A 29 -9.806 7.809 7.203 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.803 8.412 4.986 1.00 10.00 C ATOM 0 H VAL A 29 -10.658 5.200 7.000 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.864 5.970 4.268 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.847 7.922 5.348 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -9.906 8.873 7.419 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.617 7.263 7.685 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -8.850 7.449 7.584 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -8.921 9.463 5.249 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.815 8.070 5.292 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -8.910 8.294 3.908 1.00 10.00 H new ATOM 200 N VAL A 30 -7.499 5.389 4.723 1.00 10.00 N ATOM 201 CA VAL A 30 -6.134 4.941 4.951 1.00 10.00 C ATOM 202 C VAL A 30 -5.153 5.991 4.446 1.00 10.00 C ATOM 203 O VAL A 30 -5.187 6.371 3.274 1.00 10.00 O ATOM 204 CB VAL A 30 -5.843 3.590 4.260 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.463 3.070 4.643 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.912 2.567 4.610 1.00 10.00 C ATOM 0 H VAL A 30 -7.739 5.529 3.742 1.00 10.00 H new ATOM 0 HA VAL A 30 -6.012 4.800 6.025 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.860 3.752 3.182 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.282 2.118 4.144 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.705 3.791 4.337 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.414 2.929 5.723 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.689 1.623 4.113 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.930 2.414 5.689 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.885 2.930 4.279 1.00 10.00 H new ATOM 216 N GLN A 31 -4.305 6.467 5.345 1.00 10.00 N ATOM 217 CA GLN A 31 -3.305 7.470 5.015 1.00 10.00 C ATOM 218 C GLN A 31 -2.040 6.787 4.518 1.00 10.00 C ATOM 219 O GLN A 31 -1.313 6.155 5.292 1.00 10.00 O ATOM 220 CB GLN A 31 -2.994 8.330 6.246 1.00 10.00 C ATOM 221 CG GLN A 31 -2.124 9.541 5.949 1.00 10.00 C ATOM 222 CD GLN A 31 -1.813 10.356 7.190 1.00 10.00 C ATOM 223 OE1 GLN A 31 -2.600 10.405 8.135 1.00 10.00 O ATOM 224 NE2 GLN A 31 -0.659 11.006 7.195 1.00 10.00 N ATOM 0 H GLN A 31 -4.291 6.170 6.321 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.693 8.117 4.228 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -3.932 8.668 6.687 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.496 7.711 6.992 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.191 9.210 5.493 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.628 10.175 5.219 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -0.033 10.940 6.392 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -0.396 11.572 8.002 1.00 10.00 H new ATOM 233 N PHE A 32 -1.792 6.894 3.224 1.00 10.00 N ATOM 234 CA PHE A 32 -0.619 6.286 2.622 1.00 10.00 C ATOM 235 C PHE A 32 0.532 7.279 2.542 1.00 10.00 C ATOM 236 O PHE A 32 0.492 8.234 1.766 1.00 10.00 O ATOM 237 CB PHE A 32 -0.947 5.759 1.223 1.00 10.00 C ATOM 238 CG PHE A 32 -1.074 4.263 1.157 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.218 3.634 1.610 1.00 10.00 C ATOM 240 CD2 PHE A 32 -0.052 3.490 0.635 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.342 2.259 1.544 1.00 10.00 C ATOM 242 CE2 PHE A 32 -0.167 2.115 0.568 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.315 1.499 1.022 1.00 10.00 C ATOM 0 H PHE A 32 -2.390 7.398 2.569 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.314 5.453 3.255 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.880 6.210 0.884 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.168 6.080 0.531 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -3.024 4.224 2.020 1.00 10.00 H new ATOM 0 HD2 PHE A 32 0.847 3.968 0.275 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.242 1.780 1.901 1.00 10.00 H new ATOM 0 HE2 PHE A 32 0.640 1.524 0.161 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.410 0.424 0.969 1.00 10.00 H new ATOM 253 N LYS A 33 1.544 7.052 3.361 1.00 10.00 N ATOM 254 CA LYS A 33 2.726 7.896 3.379 1.00 10.00 C ATOM 255 C LYS A 33 3.778 7.265 2.477 1.00 10.00 C ATOM 256 O LYS A 33 4.447 6.303 2.863 1.00 10.00 O ATOM 257 CB LYS A 33 3.248 8.045 4.816 1.00 10.00 C ATOM 258 CG LYS A 33 4.491 8.913 4.944 1.00 10.00 C ATOM 259 CD LYS A 33 4.759 9.293 6.393 1.00 10.00 C ATOM 260 CE LYS A 33 6.062 10.066 6.540 1.00 10.00 C ATOM 261 NZ LYS A 33 6.250 10.583 7.923 1.00 10.00 N ATOM 0 H LYS A 33 1.570 6.282 4.029 1.00 10.00 H new ATOM 0 HA LYS A 33 2.485 8.894 3.012 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.458 8.469 5.435 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.468 7.055 5.215 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.352 8.379 4.542 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.368 9.816 4.347 1.00 10.00 H new ATOM 0 HD2 LYS A 33 3.933 9.897 6.770 1.00 10.00 H new ATOM 0 HD3 LYS A 33 4.800 8.391 7.004 1.00 10.00 H new ATOM 0 HE2 LYS A 33 6.899 9.419 6.278 1.00 10.00 H new ATOM 0 HE3 LYS A 33 6.071 10.899 5.837 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 7.149 11.103 7.980 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 5.465 11.221 8.165 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 6.268 9.787 8.592 1.00 10.00 H new ATOM 275 N ILE A 34 3.882 7.772 1.258 1.00 10.00 N ATOM 276 CA ILE A 34 4.823 7.232 0.285 1.00 10.00 C ATOM 277 C ILE A 34 5.618 8.362 -0.370 1.00 10.00 C ATOM 278 O ILE A 34 5.232 9.522 -0.282 1.00 10.00 O ATOM 279 CB ILE A 34 4.073 6.380 -0.794 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.130 7.026 -2.181 1.00 10.00 C ATOM 281 CG2 ILE A 34 2.615 6.166 -0.401 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.447 6.218 -3.266 1.00 10.00 C ATOM 0 H ILE A 34 3.327 8.557 0.918 1.00 10.00 H new ATOM 0 HA ILE A 34 5.523 6.578 0.805 1.00 10.00 H new ATOM 0 HB ILE A 34 4.585 5.419 -0.841 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.667 8.012 -2.131 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.173 7.177 -2.457 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.115 5.572 -1.166 1.00 10.00 H new ATOM 0 HG22 ILE A 34 2.569 5.642 0.554 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.117 7.131 -0.309 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.531 6.743 -4.218 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.924 5.241 -3.347 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.394 6.088 -3.015 1.00 10.00 H new ATOM 294 N LYS A 35 6.739 8.030 -1.000 1.00 10.00 N ATOM 295 CA LYS A 35 7.558 9.031 -1.675 1.00 10.00 C ATOM 296 C LYS A 35 7.095 9.206 -3.122 1.00 10.00 C ATOM 297 O LYS A 35 6.343 8.386 -3.644 1.00 10.00 O ATOM 298 CB LYS A 35 9.035 8.641 -1.630 1.00 10.00 C ATOM 299 CG LYS A 35 9.748 9.125 -0.381 1.00 10.00 C ATOM 300 CD LYS A 35 11.097 8.452 -0.209 1.00 10.00 C ATOM 301 CE LYS A 35 11.814 8.949 1.034 1.00 10.00 C ATOM 302 NZ LYS A 35 12.904 8.027 1.447 1.00 10.00 N ATOM 0 H LYS A 35 7.101 7.078 -1.058 1.00 10.00 H new ATOM 0 HA LYS A 35 7.440 9.981 -1.153 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.119 7.556 -1.690 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.538 9.048 -2.507 1.00 10.00 H new ATOM 0 HG2 LYS A 35 9.884 10.205 -0.435 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.128 8.925 0.493 1.00 10.00 H new ATOM 0 HD2 LYS A 35 10.960 7.373 -0.144 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.714 8.643 -1.087 1.00 10.00 H new ATOM 0 HE2 LYS A 35 12.228 9.939 0.844 1.00 10.00 H new ATOM 0 HE3 LYS A 35 11.098 9.054 1.849 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 13.370 8.400 2.299 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 12.506 7.089 1.653 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 13.600 7.946 0.679 1.00 10.00 H new ATOM 316 N ARG A 36 7.567 10.251 -3.777 1.00 10.00 N ATOM 317 CA ARG A 36 7.168 10.535 -5.150 1.00 10.00 C ATOM 318 C ARG A 36 7.805 9.582 -6.163 1.00 10.00 C ATOM 319 O ARG A 36 7.313 9.454 -7.286 1.00 10.00 O ATOM 320 CB ARG A 36 7.510 11.982 -5.505 1.00 10.00 C ATOM 321 CG ARG A 36 6.289 12.875 -5.611 1.00 10.00 C ATOM 322 CD ARG A 36 6.673 14.344 -5.629 1.00 10.00 C ATOM 323 NE ARG A 36 5.513 15.204 -5.853 1.00 10.00 N ATOM 324 CZ ARG A 36 4.971 15.989 -4.922 1.00 10.00 C ATOM 325 NH1 ARG A 36 5.477 16.026 -3.694 1.00 10.00 N ATOM 326 NH2 ARG A 36 3.923 16.741 -5.222 1.00 10.00 N ATOM 0 H ARG A 36 8.228 10.920 -3.383 1.00 10.00 H new ATOM 0 HA ARG A 36 6.090 10.383 -5.206 1.00 10.00 H new ATOM 0 HB2 ARG A 36 8.183 12.386 -4.749 1.00 10.00 H new ATOM 0 HB3 ARG A 36 8.048 11.999 -6.453 1.00 10.00 H new ATOM 0 HG2 ARG A 36 5.737 12.631 -6.518 1.00 10.00 H new ATOM 0 HG3 ARG A 36 5.622 12.683 -4.770 1.00 10.00 H new ATOM 0 HD2 ARG A 36 7.144 14.608 -4.682 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.411 14.517 -6.412 1.00 10.00 H new ATOM 0 HE ARG A 36 5.091 15.204 -6.782 1.00 10.00 H new ATOM 0 HH11 ARG A 36 6.286 15.451 -3.458 1.00 10.00 H new ATOM 0 HH12 ARG A 36 5.057 16.629 -2.987 1.00 10.00 H new ATOM 0 HH21 ARG A 36 3.532 16.719 -6.164 1.00 10.00 H new ATOM 0 HH22 ARG A 36 3.507 17.342 -4.511 1.00 10.00 H new ATOM 340 N HIS A 37 8.885 8.910 -5.777 1.00 10.00 N ATOM 341 CA HIS A 37 9.560 7.992 -6.692 1.00 10.00 C ATOM 342 C HIS A 37 9.026 6.565 -6.549 1.00 10.00 C ATOM 343 O HIS A 37 9.168 5.747 -7.461 1.00 10.00 O ATOM 344 CB HIS A 37 11.084 8.029 -6.479 1.00 10.00 C ATOM 345 CG HIS A 37 11.593 7.168 -5.358 1.00 10.00 C ATOM 346 ND1 HIS A 37 12.122 5.919 -5.598 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.635 7.415 -4.027 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.471 5.439 -4.417 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.196 6.311 -3.439 1.00 10.00 N ATOM 0 H HIS A 37 9.308 8.981 -4.851 1.00 10.00 H new ATOM 0 HA HIS A 37 9.348 8.324 -7.708 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.572 7.720 -7.404 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.384 9.060 -6.289 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.293 8.308 -3.526 1.00 10.00 H new ATOM 0 HE1 HIS A 37 12.920 4.469 -4.261 1.00 10.00 H new ATOM 0 HE2 HIS A 37 12.371 6.179 -2.443 1.00 10.00 H new ATOM 357 N THR A 38 8.406 6.283 -5.409 1.00 10.00 N ATOM 358 CA THR A 38 7.857 4.960 -5.134 1.00 10.00 C ATOM 359 C THR A 38 6.738 4.609 -6.114 1.00 10.00 C ATOM 360 O THR A 38 5.741 5.328 -6.202 1.00 10.00 O ATOM 361 CB THR A 38 7.304 4.890 -3.701 1.00 10.00 C ATOM 362 OG1 THR A 38 7.575 6.119 -3.022 1.00 10.00 O ATOM 363 CG2 THR A 38 7.927 3.737 -2.935 1.00 10.00 C ATOM 0 H THR A 38 8.270 6.957 -4.656 1.00 10.00 H new ATOM 0 HA THR A 38 8.669 4.243 -5.250 1.00 10.00 H new ATOM 0 HB THR A 38 6.228 4.727 -3.754 1.00 10.00 H new ATOM 0 HG1 THR A 38 6.924 6.797 -3.299 1.00 10.00 H new ATOM 0 HG21 THR A 38 7.519 3.709 -1.924 1.00 10.00 H new ATOM 0 HG22 THR A 38 7.702 2.799 -3.443 1.00 10.00 H new ATOM 0 HG23 THR A 38 9.007 3.874 -2.887 1.00 10.00 H new ATOM 371 N PRO A 39 6.895 3.513 -6.874 1.00 10.00 N ATOM 372 CA PRO A 39 5.885 3.067 -7.838 1.00 10.00 C ATOM 373 C PRO A 39 4.555 2.774 -7.159 1.00 10.00 C ATOM 374 O PRO A 39 4.521 2.234 -6.051 1.00 10.00 O ATOM 375 CB PRO A 39 6.476 1.782 -8.428 1.00 10.00 C ATOM 376 CG PRO A 39 7.934 1.851 -8.137 1.00 10.00 C ATOM 377 CD PRO A 39 8.070 2.623 -6.857 1.00 10.00 C ATOM 0 HA PRO A 39 5.675 3.827 -8.590 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.026 0.898 -7.976 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.291 1.720 -9.500 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.358 0.852 -8.036 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.470 2.344 -8.948 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.065 1.965 -5.988 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.002 3.187 -6.824 1.00 10.00 H new ATOM 385 N LEU A 40 3.459 3.113 -7.831 1.00 10.00 N ATOM 386 CA LEU A 40 2.123 2.899 -7.282 1.00 10.00 C ATOM 387 C LEU A 40 1.764 1.418 -7.228 1.00 10.00 C ATOM 388 O LEU A 40 0.710 1.046 -6.712 1.00 10.00 O ATOM 389 CB LEU A 40 1.079 3.669 -8.096 1.00 10.00 C ATOM 390 CG LEU A 40 1.140 5.190 -7.954 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.152 5.854 -8.897 1.00 10.00 C ATOM 392 CD2 LEU A 40 0.864 5.607 -6.517 1.00 10.00 C ATOM 0 H LEU A 40 3.469 3.538 -8.758 1.00 10.00 H new ATOM 0 HA LEU A 40 2.126 3.276 -6.259 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.200 3.413 -9.148 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.087 3.331 -7.798 1.00 10.00 H new ATOM 0 HG LEU A 40 2.145 5.517 -8.220 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.210 6.936 -8.782 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.394 5.585 -9.925 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.858 5.518 -8.662 1.00 10.00 H new ATOM 0 HD21 LEU A 40 0.912 6.693 -6.438 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -0.129 5.265 -6.223 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.610 5.162 -5.859 1.00 10.00 H new ATOM 404 N SER A 41 2.638 0.576 -7.764 1.00 10.00 N ATOM 405 CA SER A 41 2.418 -0.859 -7.750 1.00 10.00 C ATOM 406 C SER A 41 2.467 -1.364 -6.312 1.00 10.00 C ATOM 407 O SER A 41 1.748 -2.291 -5.935 1.00 10.00 O ATOM 408 CB SER A 41 3.478 -1.551 -8.606 1.00 10.00 C ATOM 409 OG SER A 41 4.191 -0.601 -9.387 1.00 10.00 O ATOM 0 H SER A 41 3.506 0.865 -8.214 1.00 10.00 H new ATOM 0 HA SER A 41 1.437 -1.087 -8.167 1.00 10.00 H new ATOM 0 HB2 SER A 41 4.171 -2.096 -7.965 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.004 -2.284 -9.259 1.00 10.00 H new ATOM 0 HG SER A 41 4.132 -0.846 -10.334 1.00 10.00 H new ATOM 415 N LYS A 42 3.308 -0.719 -5.509 1.00 10.00 N ATOM 416 CA LYS A 42 3.451 -1.065 -4.105 1.00 10.00 C ATOM 417 C LYS A 42 2.155 -0.729 -3.371 1.00 10.00 C ATOM 418 O LYS A 42 1.700 -1.478 -2.511 1.00 10.00 O ATOM 419 CB LYS A 42 4.627 -0.294 -3.488 1.00 10.00 C ATOM 420 CG LYS A 42 5.297 -1.007 -2.325 1.00 10.00 C ATOM 421 CD LYS A 42 6.462 -0.192 -1.778 1.00 10.00 C ATOM 422 CE LYS A 42 7.256 -0.971 -0.735 1.00 10.00 C ATOM 423 NZ LYS A 42 8.105 -2.030 -1.351 1.00 10.00 N ATOM 0 H LYS A 42 3.903 0.051 -5.813 1.00 10.00 H new ATOM 0 HA LYS A 42 3.653 -2.132 -4.012 1.00 10.00 H new ATOM 0 HB2 LYS A 42 5.371 -0.107 -4.262 1.00 10.00 H new ATOM 0 HB3 LYS A 42 4.271 0.678 -3.147 1.00 10.00 H new ATOM 0 HG2 LYS A 42 4.568 -1.182 -1.533 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.654 -1.984 -2.651 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.121 0.095 -2.597 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.085 0.729 -1.334 1.00 10.00 H new ATOM 0 HE2 LYS A 42 7.887 -0.283 -0.172 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.568 -1.427 -0.023 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 8.665 -2.500 -0.611 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 7.498 -2.730 -1.824 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 8.745 -1.600 -2.049 1.00 10.00 H new ATOM 437 N LEU A 43 1.549 0.390 -3.752 1.00 10.00 N ATOM 438 CA LEU A 43 0.299 0.846 -3.153 1.00 10.00 C ATOM 439 C LEU A 43 -0.838 -0.114 -3.465 1.00 10.00 C ATOM 440 O LEU A 43 -1.797 -0.229 -2.700 1.00 10.00 O ATOM 441 CB LEU A 43 -0.036 2.254 -3.659 1.00 10.00 C ATOM 442 CG LEU A 43 -1.184 2.970 -2.943 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.867 4.451 -2.796 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.489 2.781 -3.704 1.00 10.00 C ATOM 0 H LEU A 43 1.908 1.005 -4.482 1.00 10.00 H new ATOM 0 HA LEU A 43 0.425 0.875 -2.071 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.859 2.871 -3.575 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.280 2.189 -4.719 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.299 2.535 -1.950 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -1.690 4.950 -2.285 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.047 4.571 -2.215 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -0.730 4.893 -3.783 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.294 3.297 -3.180 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -2.387 3.192 -4.708 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.721 1.718 -3.769 1.00 10.00 H new ATOM 456 N MET A 44 -0.726 -0.814 -4.580 1.00 10.00 N ATOM 457 CA MET A 44 -1.752 -1.759 -4.986 1.00 10.00 C ATOM 458 C MET A 44 -1.539 -3.120 -4.327 1.00 10.00 C ATOM 459 O MET A 44 -2.379 -4.006 -4.445 1.00 10.00 O ATOM 460 CB MET A 44 -1.781 -1.899 -6.510 1.00 10.00 C ATOM 461 CG MET A 44 -2.311 -0.659 -7.216 1.00 10.00 C ATOM 462 SD MET A 44 -2.603 -0.923 -8.975 1.00 10.00 S ATOM 463 CE MET A 44 -0.921 -0.992 -9.585 1.00 10.00 C ATOM 0 H MET A 44 0.065 -0.746 -5.221 1.00 10.00 H new ATOM 0 HA MET A 44 -2.715 -1.372 -4.654 1.00 10.00 H new ATOM 0 HB2 MET A 44 -0.773 -2.110 -6.868 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.401 -2.755 -6.778 1.00 10.00 H new ATOM 0 HG2 MET A 44 -3.241 -0.347 -6.741 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.599 0.157 -7.090 1.00 10.00 H new ATOM 0 HE1 MET A 44 -0.930 -1.027 -10.674 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.378 -0.107 -9.255 1.00 10.00 H new ATOM 0 HE3 MET A 44 -0.430 -1.885 -9.198 1.00 10.00 H new ATOM 473 N LYS A 45 -0.433 -3.270 -3.606 1.00 10.00 N ATOM 474 CA LYS A 45 -0.130 -4.534 -2.939 1.00 10.00 C ATOM 475 C LYS A 45 -0.078 -4.378 -1.413 1.00 10.00 C ATOM 476 O LYS A 45 -0.475 -5.282 -0.679 1.00 10.00 O ATOM 477 CB LYS A 45 1.201 -5.100 -3.453 1.00 10.00 C ATOM 478 CG LYS A 45 1.184 -5.452 -4.934 1.00 10.00 C ATOM 479 CD LYS A 45 2.449 -6.186 -5.359 1.00 10.00 C ATOM 480 CE LYS A 45 3.645 -5.252 -5.449 1.00 10.00 C ATOM 481 NZ LYS A 45 4.813 -5.908 -6.093 1.00 10.00 N ATOM 0 H LYS A 45 0.265 -2.539 -3.468 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.936 -5.229 -3.175 1.00 10.00 H new ATOM 0 HB2 LYS A 45 1.990 -4.371 -3.271 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.452 -5.992 -2.879 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.314 -6.073 -5.149 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.078 -4.541 -5.522 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.663 -6.982 -4.646 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.285 -6.660 -6.327 1.00 10.00 H new ATOM 0 HE2 LYS A 45 3.370 -4.363 -6.016 1.00 10.00 H new ATOM 0 HE3 LYS A 45 3.922 -4.919 -4.449 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 5.608 -5.238 -6.135 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 5.092 -6.742 -5.538 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 4.557 -6.203 -7.057 1.00 10.00 H new ATOM 495 N ALA A 46 0.402 -3.228 -0.950 1.00 10.00 N ATOM 496 CA ALA A 46 0.536 -2.948 0.483 1.00 10.00 C ATOM 497 C ALA A 46 -0.770 -3.155 1.256 1.00 10.00 C ATOM 498 O ALA A 46 -0.829 -3.971 2.180 1.00 10.00 O ATOM 499 CB ALA A 46 1.044 -1.528 0.693 1.00 10.00 C ATOM 0 H ALA A 46 0.709 -2.464 -1.552 1.00 10.00 H new ATOM 0 HA ALA A 46 1.257 -3.664 0.878 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.140 -1.330 1.761 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.017 -1.415 0.214 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.339 -0.821 0.255 1.00 10.00 H new ATOM 505 N TYR A 47 -1.811 -2.425 0.879 1.00 10.00 N ATOM 506 CA TYR A 47 -3.101 -2.533 1.557 1.00 10.00 C ATOM 507 C TYR A 47 -3.755 -3.876 1.261 1.00 10.00 C ATOM 508 O TYR A 47 -4.478 -4.428 2.094 1.00 10.00 O ATOM 509 CB TYR A 47 -4.027 -1.387 1.135 1.00 10.00 C ATOM 510 CG TYR A 47 -5.299 -1.295 1.948 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.545 -1.350 1.333 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.255 -1.153 3.331 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.708 -1.261 2.073 1.00 10.00 C ATOM 514 CE2 TYR A 47 -6.415 -1.066 4.076 1.00 10.00 C ATOM 515 CZ TYR A 47 -7.639 -1.121 3.443 1.00 10.00 C ATOM 516 OH TYR A 47 -8.797 -1.033 4.182 1.00 10.00 O ATOM 0 H TYR A 47 -1.791 -1.754 0.111 1.00 10.00 H new ATOM 0 HA TYR A 47 -2.927 -2.464 2.631 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.485 -0.445 1.219 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -4.288 -1.512 0.084 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.604 -1.464 0.261 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.298 -1.110 3.830 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.668 -1.301 1.580 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.364 -0.955 5.149 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.573 -0.939 5.131 1.00 10.00 H new ATOM 526 N CYS A 48 -3.479 -4.400 0.076 1.00 10.00 N ATOM 527 CA CYS A 48 -4.021 -5.678 -0.354 1.00 10.00 C ATOM 528 C CYS A 48 -3.568 -6.788 0.584 1.00 10.00 C ATOM 529 O CYS A 48 -4.360 -7.645 0.977 1.00 10.00 O ATOM 530 CB CYS A 48 -3.575 -5.983 -1.786 1.00 10.00 C ATOM 531 SG CYS A 48 -4.561 -7.250 -2.613 1.00 10.00 S ATOM 0 H CYS A 48 -2.874 -3.952 -0.612 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.109 -5.622 -0.327 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -3.618 -5.065 -2.372 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -2.533 -6.302 -1.770 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.292 -8.413 -2.099 1.00 10.00 H new ATOM 537 N GLU A 49 -2.295 -6.749 0.956 1.00 10.00 N ATOM 538 CA GLU A 49 -1.726 -7.744 1.849 1.00 10.00 C ATOM 539 C GLU A 49 -2.282 -7.604 3.261 1.00 10.00 C ATOM 540 O GLU A 49 -2.401 -8.591 3.985 1.00 10.00 O ATOM 541 CB GLU A 49 -0.205 -7.631 1.865 1.00 10.00 C ATOM 542 CG GLU A 49 0.454 -8.225 0.634 1.00 10.00 C ATOM 543 CD GLU A 49 0.220 -9.714 0.519 1.00 10.00 C ATOM 544 OE1 GLU A 49 0.696 -10.462 1.396 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.429 -10.148 -0.453 1.00 10.00 O ATOM 0 H GLU A 49 -1.636 -6.034 0.650 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.005 -8.729 1.476 1.00 10.00 H new ATOM 0 HB2 GLU A 49 0.073 -6.580 1.946 1.00 10.00 H new ATOM 0 HB3 GLU A 49 0.180 -8.133 2.753 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.068 -7.729 -0.257 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.526 -8.030 0.669 1.00 10.00 H new ATOM 552 N ARG A 50 -2.624 -6.377 3.644 1.00 10.00 N ATOM 553 CA ARG A 50 -3.183 -6.120 4.966 1.00 10.00 C ATOM 554 C ARG A 50 -4.575 -6.731 5.072 1.00 10.00 C ATOM 555 O ARG A 50 -4.936 -7.307 6.097 1.00 10.00 O ATOM 556 CB ARG A 50 -3.240 -4.617 5.260 1.00 10.00 C ATOM 557 CG ARG A 50 -1.902 -4.031 5.686 1.00 10.00 C ATOM 558 CD ARG A 50 -2.068 -2.740 6.476 1.00 10.00 C ATOM 559 NE ARG A 50 -0.784 -2.234 6.968 1.00 10.00 N ATOM 560 CZ ARG A 50 -0.654 -1.228 7.837 1.00 10.00 C ATOM 561 NH1 ARG A 50 -1.728 -0.608 8.317 1.00 10.00 N ATOM 562 NH2 ARG A 50 0.556 -0.852 8.231 1.00 10.00 N ATOM 0 H ARG A 50 -2.524 -5.548 3.059 1.00 10.00 H new ATOM 0 HA ARG A 50 -2.532 -6.583 5.707 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -3.590 -4.094 4.370 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -3.974 -4.436 6.046 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.364 -4.760 6.292 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.293 -3.839 4.803 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.538 -1.986 5.845 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.737 -2.913 7.319 1.00 10.00 H new ATOM 0 HE ARG A 50 0.067 -2.679 6.624 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -2.660 -0.900 8.022 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -1.620 0.159 8.980 1.00 10.00 H new ATOM 0 HH21 ARG A 50 1.381 -1.331 7.870 1.00 10.00 H new ATOM 0 HH22 ARG A 50 0.661 -0.084 8.894 1.00 10.00 H new ATOM 576 N GLN A 51 -5.347 -6.612 3.997 1.00 10.00 N ATOM 577 CA GLN A 51 -6.694 -7.167 3.965 1.00 10.00 C ATOM 578 C GLN A 51 -6.643 -8.667 3.688 1.00 10.00 C ATOM 579 O GLN A 51 -7.596 -9.395 3.966 1.00 10.00 O ATOM 580 CB GLN A 51 -7.535 -6.476 2.892 1.00 10.00 C ATOM 581 CG GLN A 51 -7.791 -5.000 3.155 1.00 10.00 C ATOM 582 CD GLN A 51 -8.511 -4.751 4.467 1.00 10.00 C ATOM 583 OE1 GLN A 51 -7.884 -4.525 5.500 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.831 -4.798 4.433 1.00 10.00 N ATOM 0 H GLN A 51 -5.064 -6.138 3.139 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.154 -6.998 4.938 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.033 -6.580 1.930 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.493 -6.990 2.810 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.840 -4.467 3.161 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.383 -4.588 2.338 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.312 -4.989 3.554 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.369 -4.644 5.286 1.00 10.00 H new ATOM 593 N GLY A 52 -5.524 -9.113 3.130 1.00 10.00 N ATOM 594 CA GLY A 52 -5.349 -10.516 2.808 1.00 10.00 C ATOM 595 C GLY A 52 -6.091 -10.894 1.543 1.00 10.00 C ATOM 596 O GLY A 52 -6.555 -12.027 1.393 1.00 10.00 O ATOM 0 H GLY A 52 -4.728 -8.521 2.893 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.288 -10.732 2.686 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -5.706 -11.127 3.637 1.00 10.00 H new ATOM 600 N LEU A 53 -6.192 -9.943 0.625 1.00 10.00 N ATOM 601 CA LEU A 53 -6.894 -10.160 -0.629 1.00 10.00 C ATOM 602 C LEU A 53 -5.916 -10.272 -1.789 1.00 10.00 C ATOM 603 O LEU A 53 -4.703 -10.101 -1.623 1.00 10.00 O ATOM 604 CB LEU A 53 -7.880 -9.015 -0.887 1.00 10.00 C ATOM 605 CG LEU A 53 -8.952 -8.822 0.185 1.00 10.00 C ATOM 606 CD1 LEU A 53 -9.866 -7.667 -0.182 1.00 10.00 C ATOM 607 CD2 LEU A 53 -9.750 -10.102 0.370 1.00 10.00 C ATOM 0 H LEU A 53 -5.794 -9.010 0.728 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.444 -11.098 -0.552 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.316 -8.087 -0.985 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.373 -9.191 -1.843 1.00 10.00 H new ATOM 0 HG LEU A 53 -8.463 -8.583 1.129 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -10.624 -7.543 0.592 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.280 -6.752 -0.266 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.351 -7.876 -1.135 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.510 -9.950 1.137 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.232 -10.369 -0.570 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.081 -10.906 0.677 1.00 10.00 H new ATOM 619 N SER A 54 -6.452 -10.562 -2.960 1.00 10.00 N ATOM 620 CA SER A 54 -5.654 -10.693 -4.161 1.00 10.00 C ATOM 621 C SER A 54 -5.628 -9.369 -4.918 1.00 10.00 C ATOM 622 O SER A 54 -6.635 -8.657 -4.975 1.00 10.00 O ATOM 623 CB SER A 54 -6.230 -11.807 -5.045 1.00 10.00 C ATOM 624 OG SER A 54 -5.901 -11.613 -6.412 1.00 10.00 O ATOM 0 H SER A 54 -7.451 -10.713 -3.103 1.00 10.00 H new ATOM 0 HA SER A 54 -4.632 -10.954 -3.888 1.00 10.00 H new ATOM 0 HB2 SER A 54 -5.847 -12.771 -4.711 1.00 10.00 H new ATOM 0 HB3 SER A 54 -7.314 -11.838 -4.932 1.00 10.00 H new ATOM 0 HG SER A 54 -6.282 -12.341 -6.947 1.00 10.00 H new ATOM 630 N MET A 55 -4.481 -9.044 -5.505 1.00 10.00 N ATOM 631 CA MET A 55 -4.329 -7.807 -6.259 1.00 10.00 C ATOM 632 C MET A 55 -5.142 -7.882 -7.546 1.00 10.00 C ATOM 633 O MET A 55 -5.392 -6.873 -8.206 1.00 10.00 O ATOM 634 CB MET A 55 -2.856 -7.548 -6.583 1.00 10.00 C ATOM 635 CG MET A 55 -2.547 -6.081 -6.851 1.00 10.00 C ATOM 636 SD MET A 55 -1.178 -5.849 -8.001 1.00 10.00 S ATOM 637 CE MET A 55 -1.936 -6.395 -9.528 1.00 10.00 C ATOM 0 H MET A 55 -3.642 -9.622 -5.472 1.00 10.00 H new ATOM 0 HA MET A 55 -4.697 -6.982 -5.649 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.242 -7.896 -5.752 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.574 -8.137 -7.456 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.437 -5.595 -7.251 1.00 10.00 H new ATOM 0 HG3 MET A 55 -2.311 -5.587 -5.909 1.00 10.00 H new ATOM 0 HE1 MET A 55 -1.337 -7.193 -9.966 1.00 10.00 H new ATOM 0 HE2 MET A 55 -2.941 -6.765 -9.323 1.00 10.00 H new ATOM 0 HE3 MET A 55 -1.992 -5.559 -10.225 1.00 10.00 H new ATOM 647 N ARG A 56 -5.555 -9.094 -7.889 1.00 10.00 N ATOM 648 CA ARG A 56 -6.353 -9.329 -9.077 1.00 10.00 C ATOM 649 C ARG A 56 -7.835 -9.328 -8.711 1.00 10.00 C ATOM 650 O ARG A 56 -8.709 -9.252 -9.573 1.00 10.00 O ATOM 651 CB ARG A 56 -5.956 -10.662 -9.714 1.00 10.00 C ATOM 652 CG ARG A 56 -6.700 -10.977 -10.996 1.00 10.00 C ATOM 653 CD ARG A 56 -6.409 -12.386 -11.477 1.00 10.00 C ATOM 654 NE ARG A 56 -7.386 -12.827 -12.466 1.00 10.00 N ATOM 655 CZ ARG A 56 -7.105 -13.625 -13.493 1.00 10.00 C ATOM 656 NH1 ARG A 56 -5.867 -14.080 -13.667 1.00 10.00 N ATOM 657 NH2 ARG A 56 -8.062 -13.963 -14.349 1.00 10.00 N ATOM 0 H ARG A 56 -5.346 -9.936 -7.353 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.172 -8.533 -9.799 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -4.886 -10.650 -9.920 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.133 -11.463 -8.997 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.772 -10.861 -10.834 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -6.415 -10.262 -11.768 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -5.409 -12.424 -11.910 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -6.415 -13.070 -10.628 1.00 10.00 H new ATOM 0 HE ARG A 56 -8.348 -12.502 -12.364 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -5.130 -13.817 -13.012 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -5.655 -14.692 -14.455 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -9.010 -13.611 -14.219 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -7.849 -14.575 -15.137 1.00 10.00 H new ATOM 671 N GLN A 57 -8.102 -9.385 -7.414 1.00 10.00 N ATOM 672 CA GLN A 57 -9.464 -9.392 -6.908 1.00 10.00 C ATOM 673 C GLN A 57 -10.016 -7.972 -6.831 1.00 10.00 C ATOM 674 O GLN A 57 -11.210 -7.743 -7.030 1.00 10.00 O ATOM 675 CB GLN A 57 -9.501 -10.050 -5.527 1.00 10.00 C ATOM 676 CG GLN A 57 -10.880 -10.074 -4.893 1.00 10.00 C ATOM 677 CD GLN A 57 -10.848 -10.470 -3.430 1.00 10.00 C ATOM 678 OE1 GLN A 57 -9.982 -11.231 -2.994 1.00 10.00 O ATOM 679 NE2 GLN A 57 -11.792 -9.952 -2.658 1.00 10.00 N ATOM 0 H GLN A 57 -7.386 -9.427 -6.689 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.089 -9.965 -7.593 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.134 -11.073 -5.613 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -8.817 -9.520 -4.865 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.336 -9.088 -4.988 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.514 -10.772 -5.440 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -12.491 -9.326 -3.058 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -11.820 -10.179 -1.664 1.00 10.00 H new ATOM 688 N ILE A 58 -9.137 -7.019 -6.553 1.00 10.00 N ATOM 689 CA ILE A 58 -9.534 -5.625 -6.439 1.00 10.00 C ATOM 690 C ILE A 58 -8.999 -4.797 -7.603 1.00 10.00 C ATOM 691 O ILE A 58 -8.167 -5.264 -8.385 1.00 10.00 O ATOM 692 CB ILE A 58 -9.052 -5.007 -5.108 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.575 -5.334 -4.870 1.00 10.00 C ATOM 694 CG2 ILE A 58 -9.907 -5.512 -3.954 1.00 10.00 C ATOM 695 CD1 ILE A 58 -7.027 -4.777 -3.574 1.00 10.00 C ATOM 0 H ILE A 58 -8.142 -7.188 -6.402 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.624 -5.607 -6.463 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.156 -3.924 -5.167 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.447 -6.416 -4.872 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -6.987 -4.942 -5.700 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -9.557 -5.069 -3.021 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -10.947 -5.231 -4.122 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -9.830 -6.597 -3.892 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -5.976 -5.050 -3.476 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.121 -3.691 -3.576 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -7.588 -5.188 -2.735 1.00 10.00 H new ATOM 707 N ARG A 59 -9.504 -3.579 -7.724 1.00 10.00 N ATOM 708 CA ARG A 59 -9.089 -2.661 -8.778 1.00 10.00 C ATOM 709 C ARG A 59 -8.827 -1.285 -8.192 1.00 10.00 C ATOM 710 O ARG A 59 -9.530 -0.845 -7.283 1.00 10.00 O ATOM 711 CB ARG A 59 -10.157 -2.555 -9.871 1.00 10.00 C ATOM 712 CG ARG A 59 -10.271 -3.793 -10.748 1.00 10.00 C ATOM 713 CD ARG A 59 -8.959 -4.103 -11.453 1.00 10.00 C ATOM 714 NE ARG A 59 -9.087 -5.247 -12.352 1.00 10.00 N ATOM 715 CZ ARG A 59 -9.032 -6.518 -11.957 1.00 10.00 C ATOM 716 NH1 ARG A 59 -8.855 -6.817 -10.675 1.00 10.00 N ATOM 717 NH2 ARG A 59 -9.157 -7.493 -12.845 1.00 10.00 N ATOM 0 H ARG A 59 -10.212 -3.198 -7.096 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.175 -3.052 -9.225 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.123 -2.364 -9.403 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -9.932 -1.695 -10.502 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.567 -4.646 -10.137 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.056 -3.644 -11.489 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.635 -3.230 -12.019 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.187 -4.307 -10.712 1.00 10.00 H new ATOM 0 HE ARG A 59 -9.227 -5.061 -13.345 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.760 -6.071 -9.986 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -8.814 -7.792 -10.380 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -9.295 -7.270 -13.831 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -9.115 -8.466 -12.543 1.00 10.00 H new ATOM 731 N PHE A 60 -7.817 -0.610 -8.712 1.00 10.00 N ATOM 732 CA PHE A 60 -7.460 0.715 -8.238 1.00 10.00 C ATOM 733 C PHE A 60 -7.635 1.744 -9.345 1.00 10.00 C ATOM 734 O PHE A 60 -7.083 1.599 -10.437 1.00 10.00 O ATOM 735 CB PHE A 60 -6.016 0.732 -7.735 1.00 10.00 C ATOM 736 CG PHE A 60 -5.826 0.035 -6.418 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.695 -1.343 -6.359 1.00 10.00 C ATOM 738 CD2 PHE A 60 -5.779 0.758 -5.239 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.523 -1.983 -5.149 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.607 0.122 -4.025 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.479 -1.250 -3.980 1.00 10.00 C ATOM 0 H PHE A 60 -7.227 -0.960 -9.467 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.124 0.971 -7.413 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.375 0.261 -8.481 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -5.686 1.767 -7.639 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.728 -1.922 -7.270 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -5.878 1.833 -5.268 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.423 -3.058 -5.116 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.573 0.699 -3.112 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.345 -1.750 -3.032 1.00 10.00 H new ATOM 751 N ARG A 61 -8.408 2.779 -9.061 1.00 10.00 N ATOM 752 CA ARG A 61 -8.648 3.832 -10.031 1.00 10.00 C ATOM 753 C ARG A 61 -8.236 5.180 -9.464 1.00 10.00 C ATOM 754 O ARG A 61 -8.347 5.418 -8.258 1.00 10.00 O ATOM 755 CB ARG A 61 -10.120 3.870 -10.451 1.00 10.00 C ATOM 756 CG ARG A 61 -10.569 2.646 -11.237 1.00 10.00 C ATOM 757 CD ARG A 61 -11.905 2.887 -11.913 1.00 10.00 C ATOM 758 NE ARG A 61 -12.475 1.663 -12.469 1.00 10.00 N ATOM 759 CZ ARG A 61 -13.774 1.494 -12.712 1.00 10.00 C ATOM 760 NH1 ARG A 61 -14.636 2.474 -12.453 1.00 10.00 N ATOM 761 NH2 ARG A 61 -14.213 0.353 -13.226 1.00 10.00 N ATOM 0 H ARG A 61 -8.880 2.912 -8.166 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.045 3.617 -10.913 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.740 3.964 -9.559 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.292 4.761 -11.055 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -9.819 2.397 -11.987 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.647 1.789 -10.568 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.602 3.315 -11.192 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -11.779 3.621 -12.709 1.00 10.00 H new ATOM 0 HE ARG A 61 -11.842 0.893 -12.684 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.303 3.358 -12.067 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -15.630 2.342 -12.640 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -13.556 -0.398 -13.436 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -15.208 0.226 -13.411 1.00 10.00 H new ATOM 775 N PHE A 62 -7.745 6.048 -10.333 1.00 10.00 N ATOM 776 CA PHE A 62 -7.323 7.373 -9.930 1.00 10.00 C ATOM 777 C PHE A 62 -7.785 8.391 -10.956 1.00 10.00 C ATOM 778 O PHE A 62 -7.340 8.370 -12.106 1.00 10.00 O ATOM 779 CB PHE A 62 -5.801 7.433 -9.777 1.00 10.00 C ATOM 780 CG PHE A 62 -5.342 8.518 -8.847 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.095 8.244 -7.513 1.00 10.00 C ATOM 782 CD2 PHE A 62 -5.166 9.814 -9.305 1.00 10.00 C ATOM 783 CE1 PHE A 62 -4.679 9.240 -6.652 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.749 10.814 -8.450 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.506 10.526 -7.123 1.00 10.00 C ATOM 0 H PHE A 62 -7.630 5.854 -11.328 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.773 7.605 -8.965 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.441 6.472 -9.409 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.350 7.588 -10.757 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -5.229 7.239 -7.141 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -5.357 10.044 -10.343 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -4.490 9.014 -5.613 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.613 11.820 -8.819 1.00 10.00 H new ATOM 0 HZ PHE A 62 -4.180 11.307 -6.452 1.00 10.00 H new ATOM 795 N ASP A 63 -8.704 9.254 -10.539 1.00 10.00 N ATOM 796 CA ASP A 63 -9.247 10.301 -11.399 1.00 10.00 C ATOM 797 C ASP A 63 -9.944 9.699 -12.616 1.00 10.00 C ATOM 798 O ASP A 63 -9.797 10.177 -13.740 1.00 10.00 O ATOM 799 CB ASP A 63 -8.140 11.265 -11.838 1.00 10.00 C ATOM 800 CG ASP A 63 -8.666 12.658 -12.114 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.299 13.248 -11.212 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.441 13.174 -13.231 1.00 10.00 O ATOM 0 H ASP A 63 -9.094 9.249 -9.596 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.986 10.860 -10.826 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.376 11.315 -11.062 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.658 10.877 -12.735 1.00 10.00 H new ATOM 807 N GLY A 64 -10.677 8.618 -12.385 1.00 10.00 N ATOM 808 CA GLY A 64 -11.409 7.974 -13.459 1.00 10.00 C ATOM 809 C GLY A 64 -10.619 6.886 -14.161 1.00 10.00 C ATOM 810 O GLY A 64 -11.163 5.830 -14.478 1.00 10.00 O ATOM 0 H GLY A 64 -10.778 8.175 -11.472 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.326 7.544 -13.056 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -11.704 8.727 -14.190 1.00 10.00 H new ATOM 814 N GLN A 65 -9.339 7.129 -14.395 1.00 10.00 N ATOM 815 CA GLN A 65 -8.497 6.160 -15.083 1.00 10.00 C ATOM 816 C GLN A 65 -7.846 5.190 -14.098 1.00 10.00 C ATOM 817 O GLN A 65 -7.334 5.602 -13.055 1.00 10.00 O ATOM 818 CB GLN A 65 -7.422 6.876 -15.904 1.00 10.00 C ATOM 819 CG GLN A 65 -7.981 7.684 -17.065 1.00 10.00 C ATOM 820 CD GLN A 65 -8.800 6.842 -18.031 1.00 10.00 C ATOM 821 OE1 GLN A 65 -8.532 5.657 -18.230 1.00 10.00 O ATOM 822 NE2 GLN A 65 -9.807 7.450 -18.636 1.00 10.00 N ATOM 0 H GLN A 65 -8.860 7.987 -14.120 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.133 5.584 -15.754 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -6.858 7.540 -15.249 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -6.720 6.137 -16.291 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.604 8.489 -16.675 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.158 8.151 -17.606 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -9.998 8.434 -18.445 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -10.393 6.935 -19.293 1.00 10.00 H new ATOM 831 N PRO A 66 -7.886 3.883 -14.404 1.00 10.00 N ATOM 832 CA PRO A 66 -7.284 2.846 -13.558 1.00 10.00 C ATOM 833 C PRO A 66 -5.769 2.989 -13.465 1.00 10.00 C ATOM 834 O PRO A 66 -5.124 3.462 -14.402 1.00 10.00 O ATOM 835 CB PRO A 66 -7.644 1.534 -14.265 1.00 10.00 C ATOM 836 CG PRO A 66 -8.756 1.877 -15.191 1.00 10.00 C ATOM 837 CD PRO A 66 -8.535 3.304 -15.592 1.00 10.00 C ATOM 0 HA PRO A 66 -7.650 2.904 -12.533 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.789 1.133 -14.809 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -7.951 0.772 -13.548 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.754 1.222 -16.062 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -9.723 1.754 -14.702 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.902 3.382 -16.476 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.473 3.808 -15.826 1.00 10.00 H new ATOM 845 N ILE A 67 -5.205 2.574 -12.343 1.00 10.00 N ATOM 846 CA ILE A 67 -3.768 2.669 -12.138 1.00 10.00 C ATOM 847 C ILE A 67 -3.062 1.423 -12.662 1.00 10.00 C ATOM 848 O ILE A 67 -3.454 0.298 -12.348 1.00 10.00 O ATOM 849 CB ILE A 67 -3.425 2.859 -10.643 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.230 4.022 -10.054 1.00 10.00 C ATOM 851 CG2 ILE A 67 -1.930 3.096 -10.464 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.048 4.196 -8.560 1.00 10.00 C ATOM 0 H ILE A 67 -5.719 2.168 -11.561 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.420 3.541 -12.692 1.00 10.00 H new ATOM 0 HB ILE A 67 -3.694 1.948 -10.108 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -3.939 4.945 -10.556 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.287 3.864 -10.266 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -1.707 3.228 -9.405 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.377 2.238 -10.848 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -1.636 3.992 -11.011 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -4.649 5.038 -8.216 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.367 3.289 -8.047 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -2.997 4.386 -8.341 1.00 10.00 H new ATOM 864 N ASN A 68 -2.039 1.628 -13.478 1.00 10.00 N ATOM 865 CA ASN A 68 -1.267 0.524 -14.033 1.00 10.00 C ATOM 866 C ASN A 68 -0.110 0.186 -13.103 1.00 10.00 C ATOM 867 O ASN A 68 0.264 0.991 -12.248 1.00 10.00 O ATOM 868 CB ASN A 68 -0.740 0.868 -15.431 1.00 10.00 C ATOM 869 CG ASN A 68 -1.808 0.754 -16.506 1.00 10.00 C ATOM 870 OD1 ASN A 68 -2.060 -0.328 -17.036 1.00 10.00 O ATOM 871 ND2 ASN A 68 -2.446 1.867 -16.837 1.00 10.00 N ATOM 0 H ASN A 68 -1.723 2.552 -13.772 1.00 10.00 H new ATOM 0 HA ASN A 68 -1.921 -0.343 -14.124 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.343 1.883 -15.425 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.088 0.203 -15.676 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -3.173 1.845 -17.552 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -2.211 2.746 -16.376 1.00 10.00 H new ATOM 878 N GLU A 69 0.473 -0.993 -13.276 1.00 10.00 N ATOM 879 CA GLU A 69 1.584 -1.436 -12.435 1.00 10.00 C ATOM 880 C GLU A 69 2.927 -0.881 -12.918 1.00 10.00 C ATOM 881 O GLU A 69 3.980 -1.442 -12.611 1.00 10.00 O ATOM 882 CB GLU A 69 1.642 -2.964 -12.414 1.00 10.00 C ATOM 883 CG GLU A 69 0.431 -3.616 -11.769 1.00 10.00 C ATOM 884 CD GLU A 69 0.225 -5.042 -12.234 1.00 10.00 C ATOM 885 OE1 GLU A 69 0.733 -5.973 -11.571 1.00 10.00 O ATOM 886 OE2 GLU A 69 -0.440 -5.241 -13.275 1.00 10.00 O ATOM 0 H GLU A 69 0.196 -1.664 -13.993 1.00 10.00 H new ATOM 0 HA GLU A 69 1.406 -1.053 -11.430 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.737 -3.329 -13.437 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.539 -3.277 -11.879 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.550 -3.604 -10.686 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.459 -3.030 -11.999 1.00 10.00 H new ATOM 893 N THR A 70 2.895 0.222 -13.653 1.00 10.00 N ATOM 894 CA THR A 70 4.115 0.824 -14.174 1.00 10.00 C ATOM 895 C THR A 70 4.065 2.352 -14.101 1.00 10.00 C ATOM 896 O THR A 70 4.686 3.043 -14.912 1.00 10.00 O ATOM 897 CB THR A 70 4.344 0.392 -15.635 1.00 10.00 C ATOM 898 OG1 THR A 70 3.080 0.166 -16.277 1.00 10.00 O ATOM 899 CG2 THR A 70 5.187 -0.874 -15.699 1.00 10.00 C ATOM 0 H THR A 70 2.039 0.718 -13.902 1.00 10.00 H new ATOM 0 HA THR A 70 4.940 0.476 -13.553 1.00 10.00 H new ATOM 0 HB THR A 70 4.879 1.189 -16.151 1.00 10.00 H new ATOM 0 HG1 THR A 70 3.229 -0.107 -17.206 1.00 10.00 H new ATOM 0 HG21 THR A 70 5.336 -1.160 -16.740 1.00 10.00 H new ATOM 0 HG22 THR A 70 6.154 -0.691 -15.231 1.00 10.00 H new ATOM 0 HG23 THR A 70 4.675 -1.679 -15.171 1.00 10.00 H new ATOM 907 N ASP A 71 3.335 2.878 -13.124 1.00 10.00 N ATOM 908 CA ASP A 71 3.206 4.327 -12.967 1.00 10.00 C ATOM 909 C ASP A 71 3.570 4.773 -11.555 1.00 10.00 C ATOM 910 O ASP A 71 3.435 4.012 -10.591 1.00 10.00 O ATOM 911 CB ASP A 71 1.779 4.778 -13.297 1.00 10.00 C ATOM 912 CG ASP A 71 1.513 4.851 -14.786 1.00 10.00 C ATOM 913 OD1 ASP A 71 0.811 3.964 -15.316 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.002 5.794 -15.437 1.00 10.00 O ATOM 0 H ASP A 71 2.825 2.329 -12.431 1.00 10.00 H new ATOM 0 HA ASP A 71 3.903 4.793 -13.663 1.00 10.00 H new ATOM 0 HB2 ASP A 71 1.070 4.087 -12.840 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.601 5.757 -12.853 1.00 10.00 H new ATOM 919 N THR A 72 4.035 6.011 -11.449 1.00 10.00 N ATOM 920 CA THR A 72 4.424 6.595 -10.175 1.00 10.00 C ATOM 921 C THR A 72 3.562 7.825 -9.880 1.00 10.00 C ATOM 922 O THR A 72 2.889 8.337 -10.781 1.00 10.00 O ATOM 923 CB THR A 72 5.912 7.011 -10.201 1.00 10.00 C ATOM 924 OG1 THR A 72 6.221 7.658 -11.441 1.00 10.00 O ATOM 925 CG2 THR A 72 6.817 5.806 -10.020 1.00 10.00 C ATOM 0 H THR A 72 4.153 6.638 -12.245 1.00 10.00 H new ATOM 0 HA THR A 72 4.277 5.848 -9.395 1.00 10.00 H new ATOM 0 HB THR A 72 6.083 7.702 -9.376 1.00 10.00 H new ATOM 0 HG1 THR A 72 7.165 7.919 -11.447 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.859 6.127 -10.042 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.604 5.331 -9.062 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.640 5.093 -10.825 1.00 10.00 H new ATOM 933 N PRO A 73 3.558 8.315 -8.622 1.00 10.00 N ATOM 934 CA PRO A 73 2.777 9.501 -8.240 1.00 10.00 C ATOM 935 C PRO A 73 3.151 10.720 -9.075 1.00 10.00 C ATOM 936 O PRO A 73 2.291 11.516 -9.454 1.00 10.00 O ATOM 937 CB PRO A 73 3.152 9.725 -6.772 1.00 10.00 C ATOM 938 CG PRO A 73 3.625 8.403 -6.292 1.00 10.00 C ATOM 939 CD PRO A 73 4.285 7.750 -7.471 1.00 10.00 C ATOM 0 HA PRO A 73 1.708 9.355 -8.398 1.00 10.00 H new ATOM 0 HB2 PRO A 73 3.930 10.482 -6.674 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.295 10.072 -6.194 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.326 8.516 -5.465 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.794 7.800 -5.926 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.349 7.981 -7.515 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.195 6.664 -7.432 1.00 10.00 H new ATOM 947 N ALA A 74 4.442 10.850 -9.367 1.00 10.00 N ATOM 948 CA ALA A 74 4.938 11.961 -10.165 1.00 10.00 C ATOM 949 C ALA A 74 4.539 11.791 -11.625 1.00 10.00 C ATOM 950 O ALA A 74 4.259 12.763 -12.321 1.00 10.00 O ATOM 951 CB ALA A 74 6.450 12.066 -10.038 1.00 10.00 C ATOM 0 H ALA A 74 5.163 10.197 -9.061 1.00 10.00 H new ATOM 0 HA ALA A 74 4.491 12.882 -9.792 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.809 12.901 -10.640 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.717 12.230 -8.994 1.00 10.00 H new ATOM 0 HB3 ALA A 74 6.910 11.142 -10.389 1.00 10.00 H new ATOM 957 N GLN A 75 4.492 10.540 -12.072 1.00 10.00 N ATOM 958 CA GLN A 75 4.127 10.223 -13.447 1.00 10.00 C ATOM 959 C GLN A 75 2.688 10.636 -13.735 1.00 10.00 C ATOM 960 O GLN A 75 2.366 11.086 -14.835 1.00 10.00 O ATOM 961 CB GLN A 75 4.300 8.722 -13.696 1.00 10.00 C ATOM 962 CG GLN A 75 3.953 8.279 -15.109 1.00 10.00 C ATOM 963 CD GLN A 75 4.905 8.831 -16.149 1.00 10.00 C ATOM 964 OE1 GLN A 75 6.076 9.088 -15.869 1.00 10.00 O ATOM 965 NE2 GLN A 75 4.412 9.007 -17.363 1.00 10.00 N ATOM 0 H GLN A 75 4.704 9.725 -11.497 1.00 10.00 H new ATOM 0 HA GLN A 75 4.783 10.779 -14.116 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.333 8.447 -13.485 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.674 8.174 -12.992 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.963 7.190 -15.156 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.938 8.599 -15.346 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.436 8.782 -17.555 1.00 10.00 H new ATOM 0 HE22 GLN A 75 5.008 9.368 -18.108 1.00 10.00 H new ATOM 974 N LEU A 76 1.827 10.483 -12.742 1.00 10.00 N ATOM 975 CA LEU A 76 0.422 10.834 -12.890 1.00 10.00 C ATOM 976 C LEU A 76 0.159 12.259 -12.417 1.00 10.00 C ATOM 977 O LEU A 76 -0.977 12.730 -12.465 1.00 10.00 O ATOM 978 CB LEU A 76 -0.456 9.856 -12.109 1.00 10.00 C ATOM 979 CG LEU A 76 -0.395 8.399 -12.583 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.355 7.535 -11.780 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.710 8.309 -14.069 1.00 10.00 C ATOM 0 H LEU A 76 2.076 10.117 -11.823 1.00 10.00 H new ATOM 0 HA LEU A 76 0.171 10.772 -13.949 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.166 9.892 -11.059 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.490 10.196 -12.166 1.00 10.00 H new ATOM 0 HG LEU A 76 0.617 8.027 -12.422 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.298 6.505 -12.131 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.085 7.575 -10.725 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.372 7.906 -11.908 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.662 7.268 -14.389 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.711 8.700 -14.253 1.00 10.00 H new ATOM 0 HD23 LEU A 76 0.017 8.895 -14.631 1.00 10.00 H new ATOM 993 N GLU A 77 1.217 12.936 -11.969 1.00 10.00 N ATOM 994 CA GLU A 77 1.121 14.312 -11.480 1.00 10.00 C ATOM 995 C GLU A 77 0.096 14.420 -10.353 1.00 10.00 C ATOM 996 O GLU A 77 -0.796 15.271 -10.382 1.00 10.00 O ATOM 997 CB GLU A 77 0.760 15.265 -12.626 1.00 10.00 C ATOM 998 CG GLU A 77 1.879 15.457 -13.639 1.00 10.00 C ATOM 999 CD GLU A 77 3.094 16.131 -13.038 1.00 10.00 C ATOM 1000 OE1 GLU A 77 2.923 16.988 -12.148 1.00 10.00 O ATOM 1001 OE2 GLU A 77 4.224 15.819 -13.458 1.00 10.00 O ATOM 0 H GLU A 77 2.160 12.549 -11.935 1.00 10.00 H new ATOM 0 HA GLU A 77 2.094 14.599 -11.082 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -0.122 14.883 -13.140 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.490 16.235 -12.208 1.00 10.00 H new ATOM 0 HG2 GLU A 77 2.168 14.487 -14.044 1.00 10.00 H new ATOM 0 HG3 GLU A 77 1.511 16.054 -14.473 1.00 10.00 H new ATOM 1008 N MET A 78 0.233 13.556 -9.361 1.00 10.00 N ATOM 1009 CA MET A 78 -0.684 13.531 -8.228 1.00 10.00 C ATOM 1010 C MET A 78 -0.302 14.579 -7.186 1.00 10.00 C ATOM 1011 O MET A 78 0.854 15.007 -7.114 1.00 10.00 O ATOM 1012 CB MET A 78 -0.696 12.133 -7.605 1.00 10.00 C ATOM 1013 CG MET A 78 -1.246 11.066 -8.543 1.00 10.00 C ATOM 1014 SD MET A 78 -0.532 9.436 -8.259 1.00 10.00 S ATOM 1015 CE MET A 78 -1.129 9.079 -6.610 1.00 10.00 C ATOM 0 H MET A 78 0.975 12.857 -9.315 1.00 10.00 H new ATOM 0 HA MET A 78 -1.685 13.772 -8.587 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.319 11.863 -7.313 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.295 12.152 -6.695 1.00 10.00 H new ATOM 0 HG2 MET A 78 -2.328 11.008 -8.422 1.00 10.00 H new ATOM 0 HG3 MET A 78 -1.056 11.364 -9.574 1.00 10.00 H new ATOM 0 HE1 MET A 78 -0.284 9.002 -5.926 1.00 10.00 H new ATOM 0 HE2 MET A 78 -1.790 9.880 -6.281 1.00 10.00 H new ATOM 0 HE3 MET A 78 -1.677 8.137 -6.617 1.00 10.00 H new ATOM 1025 N GLU A 79 -1.277 14.994 -6.387 1.00 10.00 N ATOM 1026 CA GLU A 79 -1.055 15.994 -5.351 1.00 10.00 C ATOM 1027 C GLU A 79 -1.165 15.366 -3.966 1.00 10.00 C ATOM 1028 O GLU A 79 -1.545 14.201 -3.834 1.00 10.00 O ATOM 1029 CB GLU A 79 -2.073 17.128 -5.485 1.00 10.00 C ATOM 1030 CG GLU A 79 -1.829 18.033 -6.681 1.00 10.00 C ATOM 1031 CD GLU A 79 -0.537 18.816 -6.565 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -0.179 19.219 -5.438 1.00 10.00 O ATOM 1033 OE2 GLU A 79 0.121 19.042 -7.600 1.00 10.00 O ATOM 0 H GLU A 79 -2.236 14.650 -6.438 1.00 10.00 H new ATOM 0 HA GLU A 79 -0.050 16.397 -5.475 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.072 16.699 -5.563 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.055 17.730 -4.576 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.804 17.430 -7.589 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.663 18.728 -6.782 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.839 16.143 -2.940 1.00 10.00 N ATOM 1041 CA ASP A 80 -0.903 15.657 -1.564 1.00 10.00 C ATOM 1042 C ASP A 80 -2.343 15.635 -1.074 1.00 10.00 C ATOM 1043 O ASP A 80 -3.150 16.489 -1.454 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.052 16.531 -0.641 1.00 10.00 C ATOM 1045 CG ASP A 80 0.242 15.865 0.691 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -0.440 16.182 1.690 1.00 10.00 O ATOM 1047 OD2 ASP A 80 1.173 15.036 0.752 1.00 10.00 O ATOM 0 H ASP A 80 -0.528 17.110 -3.033 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.507 14.641 -1.545 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.888 16.769 -1.138 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -0.568 17.475 -0.464 1.00 10.00 H new ATOM 1052 N GLU A 81 -2.651 14.650 -0.240 1.00 10.00 N ATOM 1053 CA GLU A 81 -3.985 14.467 0.328 1.00 10.00 C ATOM 1054 C GLU A 81 -5.014 14.194 -0.763 1.00 10.00 C ATOM 1055 O GLU A 81 -6.154 14.663 -0.697 1.00 10.00 O ATOM 1056 CB GLU A 81 -4.401 15.671 1.179 1.00 10.00 C ATOM 1057 CG GLU A 81 -3.859 15.617 2.597 1.00 10.00 C ATOM 1058 CD GLU A 81 -4.635 16.490 3.557 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -4.008 17.297 4.274 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -5.880 16.377 3.598 1.00 10.00 O ATOM 0 H GLU A 81 -1.977 13.948 0.065 1.00 10.00 H new ATOM 0 HA GLU A 81 -3.945 13.596 0.981 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.053 16.585 0.698 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -5.489 15.724 1.215 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -3.883 14.586 2.951 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -2.815 15.929 2.594 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.605 13.427 -1.763 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.493 13.072 -2.861 1.00 10.00 C ATOM 1069 C ASP A 82 -6.278 11.817 -2.493 1.00 10.00 C ATOM 1070 O ASP A 82 -6.115 11.290 -1.394 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.706 12.854 -4.154 1.00 10.00 C ATOM 1072 CG ASP A 82 -5.467 13.330 -5.375 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -6.541 12.764 -5.666 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -4.997 14.278 -6.041 1.00 10.00 O ATOM 0 H ASP A 82 -3.665 13.039 -1.837 1.00 10.00 H new ATOM 0 HA ASP A 82 -6.188 13.894 -3.032 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.755 13.383 -4.092 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.475 11.794 -4.262 1.00 10.00 H new ATOM 1079 N THR A 83 -7.106 11.321 -3.402 1.00 10.00 N ATOM 1080 CA THR A 83 -7.913 10.143 -3.111 1.00 10.00 C ATOM 1081 C THR A 83 -7.722 9.029 -4.143 1.00 10.00 C ATOM 1082 O THR A 83 -7.628 9.283 -5.345 1.00 10.00 O ATOM 1083 CB THR A 83 -9.408 10.511 -3.038 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.576 11.707 -2.262 1.00 10.00 O ATOM 1085 CG2 THR A 83 -10.217 9.388 -2.412 1.00 10.00 C ATOM 0 H THR A 83 -7.236 11.710 -4.336 1.00 10.00 H new ATOM 0 HA THR A 83 -7.573 9.770 -2.145 1.00 10.00 H new ATOM 0 HB THR A 83 -9.768 10.674 -4.054 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.527 11.938 -2.219 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.268 9.675 -2.373 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.109 8.484 -3.012 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.855 9.198 -1.402 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.652 7.797 -3.645 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.505 6.617 -4.485 1.00 10.00 C ATOM 1095 C ILE A 84 -8.750 5.747 -4.351 1.00 10.00 C ATOM 1096 O ILE A 84 -9.184 5.448 -3.236 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.268 5.789 -4.083 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.056 6.702 -3.890 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -5.977 4.730 -5.136 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.018 6.128 -2.957 1.00 10.00 C ATOM 0 H ILE A 84 -7.696 7.591 -2.647 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.377 6.948 -5.516 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.475 5.288 -3.137 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -4.596 6.894 -4.860 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.392 7.663 -3.501 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.101 4.153 -4.839 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -6.835 4.065 -5.230 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -5.786 5.213 -6.094 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -3.186 6.826 -2.865 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.463 5.962 -1.976 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.655 5.181 -3.356 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.326 5.351 -5.477 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.535 4.531 -5.467 1.00 10.00 C ATOM 1114 C ASP A 85 -10.199 3.047 -5.538 1.00 10.00 C ATOM 1115 O ASP A 85 -9.443 2.610 -6.409 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.451 4.910 -6.630 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.357 6.075 -6.300 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.185 5.949 -5.370 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -12.251 7.124 -6.972 1.00 10.00 O ATOM 0 H ASP A 85 -8.979 5.582 -6.408 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.053 4.721 -4.527 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -10.843 5.162 -7.499 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.059 4.048 -6.905 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.766 2.279 -4.615 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.540 0.841 -4.564 1.00 10.00 C ATOM 1126 C VAL A 86 -11.845 0.090 -4.797 1.00 10.00 C ATOM 1127 O VAL A 86 -12.760 0.138 -3.974 1.00 10.00 O ATOM 1128 CB VAL A 86 -9.945 0.402 -3.208 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.548 -1.063 -3.245 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -8.754 1.268 -2.834 1.00 10.00 C ATOM 0 H VAL A 86 -11.389 2.631 -3.888 1.00 10.00 H new ATOM 0 HA VAL A 86 -9.825 0.601 -5.351 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.713 0.531 -2.445 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.131 -1.352 -2.280 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.426 -1.673 -3.458 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -8.801 -1.218 -4.024 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.352 0.940 -1.875 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -7.984 1.178 -3.600 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.070 2.308 -2.758 1.00 10.00 H new ATOM 1140 N PHE A 87 -11.926 -0.601 -5.920 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.121 -1.358 -6.266 1.00 10.00 C ATOM 1142 C PHE A 87 -12.819 -2.850 -6.278 1.00 10.00 C ATOM 1143 O PHE A 87 -11.667 -3.254 -6.134 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.649 -0.921 -7.631 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.006 0.536 -7.700 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.110 1.024 -7.018 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.241 1.418 -8.446 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.442 2.364 -7.080 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.569 2.758 -8.512 1.00 10.00 C ATOM 1150 CZ PHE A 87 -14.671 3.232 -7.827 1.00 10.00 C ATOM 0 H PHE A 87 -11.178 -0.655 -6.611 1.00 10.00 H new ATOM 0 HA PHE A 87 -13.884 -1.161 -5.513 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -12.896 -1.138 -8.389 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.530 -1.514 -7.877 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -15.717 0.350 -6.432 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.378 1.053 -8.982 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.304 2.732 -6.544 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -12.965 3.434 -9.098 1.00 10.00 H new ATOM 0 HZ PHE A 87 -14.929 4.280 -7.876 1.00 10.00 H new ATOM 1160 N GLN A 88 -13.850 -3.662 -6.454 1.00 10.00 N ATOM 1161 CA GLN A 88 -13.689 -5.108 -6.489 1.00 10.00 C ATOM 1162 C GLN A 88 -14.117 -5.658 -7.843 1.00 10.00 C ATOM 1163 O GLN A 88 -15.048 -5.141 -8.464 1.00 10.00 O ATOM 1164 CB GLN A 88 -14.503 -5.762 -5.373 1.00 10.00 C ATOM 1165 CG GLN A 88 -13.929 -5.525 -3.988 1.00 10.00 C ATOM 1166 CD GLN A 88 -13.468 -6.802 -3.315 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.082 -7.767 -3.976 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -13.500 -6.812 -1.993 1.00 10.00 N ATOM 0 H GLN A 88 -14.811 -3.343 -6.575 1.00 10.00 H new ATOM 0 HA GLN A 88 -12.635 -5.341 -6.335 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.523 -5.379 -5.406 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -14.559 -6.835 -5.556 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -13.088 -4.835 -4.062 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -14.683 -5.044 -3.365 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -13.827 -5.990 -1.485 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -13.198 -7.641 -1.482 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.426 -6.692 -8.299 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.733 -7.318 -9.579 1.00 10.00 C ATOM 1179 C GLN A 89 -15.020 -8.126 -9.473 1.00 10.00 C ATOM 1180 O GLN A 89 -15.287 -8.747 -8.441 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.573 -8.216 -10.023 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.640 -8.632 -11.487 1.00 10.00 C ATOM 1183 CD GLN A 89 -12.709 -7.446 -12.432 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.224 -6.358 -12.120 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -13.310 -7.645 -13.593 1.00 10.00 N ATOM 0 H GLN A 89 -12.645 -7.118 -7.800 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.872 -6.537 -10.327 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.633 -7.693 -9.847 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.561 -9.111 -9.401 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.764 -9.234 -11.730 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.514 -9.265 -11.641 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -13.700 -8.561 -13.815 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -13.384 -6.882 -14.266 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.809 -8.107 -10.541 1.00 10.00 N ATOM 1195 CA GLN A 90 -17.080 -8.822 -10.580 1.00 10.00 C ATOM 1196 C GLN A 90 -16.881 -10.318 -10.382 1.00 10.00 C ATOM 1197 O GLN A 90 -16.095 -10.955 -11.086 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.799 -8.572 -11.907 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.339 -7.158 -12.062 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.248 -6.132 -12.300 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.207 -6.438 -12.879 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.472 -4.912 -11.841 1.00 10.00 N ATOM 0 H GLN A 90 -15.589 -7.600 -11.398 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.692 -8.443 -9.762 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -17.110 -8.779 -12.726 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.625 -9.277 -11.999 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -19.042 -7.132 -12.894 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -18.896 -6.887 -11.165 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.349 -4.699 -11.366 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -16.768 -4.184 -11.962 1.00 10.00 H new ATOM 1211 N THR A 91 -17.604 -10.872 -9.422 1.00 10.00 N ATOM 1212 CA THR A 91 -17.517 -12.291 -9.117 1.00 10.00 C ATOM 1213 C THR A 91 -18.547 -13.095 -9.911 1.00 10.00 C ATOM 1214 O THR A 91 -18.669 -14.311 -9.742 1.00 10.00 O ATOM 1215 CB THR A 91 -17.725 -12.520 -7.611 1.00 10.00 C ATOM 1216 OG1 THR A 91 -17.884 -11.256 -6.947 1.00 10.00 O ATOM 1217 CG2 THR A 91 -16.543 -13.265 -7.016 1.00 10.00 C ATOM 0 H THR A 91 -18.262 -10.357 -8.837 1.00 10.00 H new ATOM 0 HA THR A 91 -16.523 -12.635 -9.403 1.00 10.00 H new ATOM 0 HB THR A 91 -18.623 -13.122 -7.471 1.00 10.00 H new ATOM 0 HG1 THR A 91 -18.018 -11.405 -5.988 1.00 10.00 H new ATOM 0 HG21 THR A 91 -16.709 -13.418 -5.950 1.00 10.00 H new ATOM 0 HG22 THR A 91 -16.437 -14.231 -7.509 1.00 10.00 H new ATOM 0 HG23 THR A 91 -15.634 -12.681 -7.162 1.00 10.00 H new ATOM 1225 N GLY A 92 -19.281 -12.408 -10.781 1.00 10.00 N ATOM 1226 CA GLY A 92 -20.286 -13.065 -11.596 1.00 10.00 C ATOM 1227 C GLY A 92 -20.358 -12.478 -12.990 1.00 10.00 C ATOM 1228 O GLY A 92 -19.694 -11.477 -13.270 1.00 10.00 O ATOM 0 H GLY A 92 -19.197 -11.403 -10.936 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -20.060 -14.129 -11.662 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -21.259 -12.975 -11.114 1.00 10.00 H new ATOM 1233 N ASP B 195 -14.723 6.433 13.909 1.00 10.00 N ATOM 1234 CA ASP B 195 -14.502 5.982 12.540 1.00 10.00 C ATOM 1235 C ASP B 195 -13.267 5.091 12.487 1.00 10.00 C ATOM 1236 O ASP B 195 -12.708 4.739 13.532 1.00 10.00 O ATOM 1237 CB ASP B 195 -14.337 7.182 11.600 1.00 10.00 C ATOM 1238 CG ASP B 195 -14.754 6.877 10.172 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -14.853 7.825 9.363 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -14.990 5.692 9.853 1.00 10.00 O ATOM 0 HA ASP B 195 -15.369 5.409 12.211 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -14.930 8.016 11.976 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -13.295 7.503 11.608 1.00 10.00 H new ATOM 1245 N THR B 196 -12.830 4.731 11.290 1.00 10.00 N ATOM 1246 CA THR B 196 -11.658 3.885 11.151 1.00 10.00 C ATOM 1247 C THR B 196 -10.551 4.603 10.393 1.00 10.00 C ATOM 1248 O THR B 196 -10.748 5.087 9.274 1.00 10.00 O ATOM 1249 CB THR B 196 -12.002 2.572 10.419 1.00 10.00 C ATOM 1250 OG1 THR B 196 -13.223 2.028 10.943 1.00 10.00 O ATOM 1251 CG2 THR B 196 -10.879 1.555 10.567 1.00 10.00 C ATOM 0 H THR B 196 -13.265 5.009 10.410 1.00 10.00 H new ATOM 0 HA THR B 196 -11.311 3.652 12.158 1.00 10.00 H new ATOM 0 HB THR B 196 -12.127 2.793 9.359 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.438 1.195 10.474 1.00 10.00 H new ATOM 0 HG21 THR B 196 -11.147 0.638 10.042 1.00 10.00 H new ATOM 0 HG22 THR B 196 -9.961 1.962 10.142 1.00 10.00 H new ATOM 0 HG23 THR B 196 -10.724 1.336 11.623 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.380 4.658 11.006 1.00 10.00 N ATOM 1260 CA ALA B 197 -8.227 5.296 10.409 1.00 10.00 C ATOM 1261 C ALA B 197 -7.078 4.316 10.298 1.00 10.00 C ATOM 1262 O ALA B 197 -6.727 3.647 11.273 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.811 6.506 11.228 1.00 10.00 C ATOM 0 H ALA B 197 -9.206 4.261 11.929 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.496 5.629 9.407 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.942 6.976 10.767 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.633 7.220 11.265 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.558 6.191 12.240 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.513 4.218 9.114 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.393 3.338 8.885 1.00 10.00 C ATOM 1271 C GLY B 198 -4.202 4.108 8.382 1.00 10.00 C ATOM 1272 O GLY B 198 -4.343 4.921 7.473 1.00 10.00 O ATOM 0 H GLY B 198 -6.815 4.741 8.292 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -5.134 2.823 9.810 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.669 2.572 8.160 1.00 10.00 H new ATOM 1276 N CYS B 199 -3.037 3.893 8.967 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.855 4.609 8.519 1.00 10.00 C ATOM 1278 C CYS B 199 -0.815 3.630 7.987 1.00 10.00 C ATOM 1279 O CYS B 199 -0.405 2.696 8.679 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.266 5.423 9.675 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.493 6.358 10.619 1.00 10.00 S ATOM 0 H CYS B 199 -2.884 3.242 9.738 1.00 10.00 H new ATOM 0 HA CYS B 199 -2.140 5.288 7.716 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.741 4.748 10.350 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.524 6.116 9.277 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.900 7.011 11.574 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.407 3.843 6.745 1.00 10.00 N ATOM 1288 CA ILE B 200 0.585 2.995 6.101 1.00 10.00 C ATOM 1289 C ILE B 200 1.753 3.823 5.568 1.00 10.00 C ATOM 1290 O ILE B 200 1.536 4.869 4.959 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.036 2.165 4.946 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.250 1.373 5.449 1.00 10.00 C ATOM 1293 CG2 ILE B 200 0.999 1.219 4.350 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -1.830 0.416 4.428 1.00 10.00 C ATOM 0 H ILE B 200 -0.751 4.603 6.158 1.00 10.00 H new ATOM 0 HA ILE B 200 0.955 2.306 6.860 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.365 2.853 4.168 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -0.961 0.810 6.336 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -2.026 2.074 5.756 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.545 0.646 3.542 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.837 1.796 3.959 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.356 0.538 5.122 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.684 -0.105 4.861 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.153 0.974 3.549 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -1.071 -0.311 4.138 1.00 10.00 H new ATOM 1306 N VAL B 201 2.980 3.413 5.861 1.00 10.00 N ATOM 1307 CA VAL B 201 4.155 4.091 5.330 1.00 10.00 C ATOM 1308 C VAL B 201 5.009 3.080 4.553 1.00 10.00 C ATOM 1309 O VAL B 201 5.341 2.015 5.080 1.00 10.00 O ATOM 1310 CB VAL B 201 4.993 4.778 6.439 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.347 3.808 7.556 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.249 5.404 5.851 1.00 10.00 C ATOM 0 H VAL B 201 3.187 2.616 6.462 1.00 10.00 H new ATOM 0 HA VAL B 201 3.817 4.884 4.663 1.00 10.00 H new ATOM 0 HB VAL B 201 4.381 5.569 6.873 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.934 4.325 8.315 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.432 3.422 8.006 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.928 2.981 7.149 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.824 5.881 6.645 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.855 4.630 5.379 1.00 10.00 H new ATOM 0 HG23 VAL B 201 5.970 6.150 5.107 1.00 10.00 H new ATOM 1322 N ILE B 202 5.343 3.386 3.300 1.00 10.00 N ATOM 1323 CA ILE B 202 6.138 2.467 2.493 1.00 10.00 C ATOM 1324 C ILE B 202 7.411 3.112 1.970 1.00 10.00 C ATOM 1325 O ILE B 202 7.389 4.223 1.435 1.00 10.00 O ATOM 1326 CB ILE B 202 5.345 1.872 1.300 1.00 10.00 C ATOM 1327 CG1 ILE B 202 4.889 2.976 0.330 1.00 10.00 C ATOM 1328 CG2 ILE B 202 4.161 1.050 1.807 1.00 10.00 C ATOM 1329 CD1 ILE B 202 3.520 2.737 -0.264 1.00 10.00 C ATOM 0 H ILE B 202 5.079 4.251 2.828 1.00 10.00 H new ATOM 0 HA ILE B 202 6.403 1.655 3.171 1.00 10.00 H new ATOM 0 HB ILE B 202 6.006 1.207 0.744 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.885 3.931 0.856 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.616 3.060 -0.478 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.614 0.639 0.959 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.525 0.236 2.433 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.498 1.689 2.391 1.00 10.00 H new ATOM 0 HD11 ILE B 202 3.267 3.556 -0.937 1.00 10.00 H new ATOM 0 HD12 ILE B 202 3.523 1.799 -0.819 1.00 10.00 H new ATOM 0 HD13 ILE B 202 2.781 2.683 0.535 1.00 10.00 H new