USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 418 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 103 GLN : amide:sc= -3.07! C(o=-4.5!,f=-6.3!) USER MOD Set 1.2: A 108 GLN :FLIP amide:sc= -1.38 F(o=-6,f=-4.5) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -4.32! C(o=-4.3!,f=-5!) USER MOD Single : A 79 THR OG1 : rot -109:sc= 1.78 USER MOD Single : A 81 SER OG : rot -13:sc= -2.56 USER MOD Single : A 83 THR OG1 : rot 88:sc= 0.652 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 164:sc= -0.0086 (180deg=-0.108) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.588 K(o=-0.59,f=-1.5!) USER MOD Single : A 95 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.26) USER MOD Single : A 96 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.9!) USER MOD Single : A 100 CYS SG : rot 180:sc= -0.577 USER MOD Single : A 104 THR OG1 : rot 140:sc= -2.33 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0.0706 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.79 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N LEU A 65 4.354 0.000 -2.025 1.00 1.00 N ATOM 13 CA LEU A 65 5.801 0.000 -1.899 1.00 1.00 C ATOM 14 C LEU A 65 6.324 1.428 -2.067 1.00 1.00 C ATOM 15 O LEU A 65 5.721 2.234 -2.775 1.00 1.00 O ATOM 16 CB LEU A 65 6.425 -1.001 -2.873 1.00 1.00 C ATOM 17 CG LEU A 65 5.939 -2.447 -2.751 1.00 1.00 C ATOM 18 CD1 LEU A 65 6.023 -2.933 -1.302 1.00 1.00 C ATOM 19 CD2 LEU A 65 4.531 -2.604 -3.328 1.00 1.00 C ATOM 0 HA LEU A 65 6.095 -0.333 -0.904 1.00 1.00 H new ATOM 0 HB2 LEU A 65 6.231 -0.658 -3.889 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.506 -0.989 -2.733 1.00 1.00 H new ATOM 0 HG LEU A 65 6.600 -3.080 -3.342 1.00 1.00 H new ATOM 0 HD11 LEU A 65 5.672 -3.963 -1.243 1.00 1.00 H new ATOM 0 HD12 LEU A 65 7.057 -2.882 -0.960 1.00 1.00 H new ATOM 0 HD13 LEU A 65 5.400 -2.301 -0.669 1.00 1.00 H new ATOM 0 HD21 LEU A 65 4.210 -3.641 -3.228 1.00 1.00 H new ATOM 0 HD22 LEU A 65 3.841 -1.957 -2.786 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.537 -2.326 -4.382 1.00 1.00 H new ATOM 31 N PHE A 66 7.439 1.698 -1.405 1.00 1.00 N ATOM 32 CA PHE A 66 8.049 3.015 -1.472 1.00 1.00 C ATOM 33 C PHE A 66 9.428 2.947 -2.132 1.00 1.00 C ATOM 34 O PHE A 66 10.089 1.911 -2.092 1.00 1.00 O ATOM 35 CB PHE A 66 8.210 3.508 -0.032 1.00 1.00 C ATOM 36 CG PHE A 66 7.154 2.964 0.933 1.00 1.00 C ATOM 37 CD1 PHE A 66 7.298 1.723 1.469 1.00 1.00 C ATOM 38 CD2 PHE A 66 6.072 3.723 1.255 1.00 1.00 C ATOM 39 CE1 PHE A 66 6.318 1.218 2.364 1.00 1.00 C ATOM 40 CE2 PHE A 66 5.092 3.219 2.150 1.00 1.00 C ATOM 41 CZ PHE A 66 5.236 1.977 2.686 1.00 1.00 C ATOM 0 H PHE A 66 7.936 1.027 -0.819 1.00 1.00 H new ATOM 0 HA PHE A 66 7.425 3.684 -2.064 1.00 1.00 H new ATOM 0 HB2 PHE A 66 9.198 3.225 0.330 1.00 1.00 H new ATOM 0 HB3 PHE A 66 8.168 4.597 -0.025 1.00 1.00 H new ATOM 0 HD1 PHE A 66 8.158 1.121 1.214 1.00 1.00 H new ATOM 0 HD2 PHE A 66 5.958 4.709 0.830 1.00 1.00 H new ATOM 0 HE1 PHE A 66 6.432 0.232 2.789 1.00 1.00 H new ATOM 0 HE2 PHE A 66 4.233 3.821 2.405 1.00 1.00 H new ATOM 0 HZ PHE A 66 4.491 1.593 3.367 1.00 1.00 H new ATOM 51 N VAL A 67 9.821 4.066 -2.724 1.00 1.00 N ATOM 52 CA VAL A 67 11.109 4.147 -3.391 1.00 1.00 C ATOM 53 C VAL A 67 11.967 5.212 -2.707 1.00 1.00 C ATOM 54 O VAL A 67 11.450 6.055 -1.975 1.00 1.00 O ATOM 55 CB VAL A 67 10.908 4.410 -4.885 1.00 1.00 C ATOM 56 CG1 VAL A 67 10.830 3.097 -5.668 1.00 1.00 C ATOM 57 CG2 VAL A 67 9.665 5.268 -5.129 1.00 1.00 C ATOM 0 H VAL A 67 9.270 4.924 -2.755 1.00 1.00 H new ATOM 0 HA VAL A 67 11.642 3.200 -3.310 1.00 1.00 H new ATOM 0 HB VAL A 67 11.774 4.965 -5.246 1.00 1.00 H new ATOM 0 HG11 VAL A 67 10.687 3.313 -6.727 1.00 1.00 H new ATOM 0 HG12 VAL A 67 11.756 2.538 -5.533 1.00 1.00 H new ATOM 0 HG13 VAL A 67 9.992 2.504 -5.302 1.00 1.00 H new ATOM 0 HG21 VAL A 67 9.546 5.440 -6.199 1.00 1.00 H new ATOM 0 HG22 VAL A 67 8.785 4.752 -4.744 1.00 1.00 H new ATOM 0 HG23 VAL A 67 9.777 6.224 -4.618 1.00 1.00 H new ATOM 67 N ALA A 68 13.264 5.140 -2.969 1.00 1.00 N ATOM 68 CA ALA A 68 14.199 6.088 -2.388 1.00 1.00 C ATOM 69 C ALA A 68 13.965 7.470 -3.001 1.00 1.00 C ATOM 70 O ALA A 68 13.866 7.604 -4.219 1.00 1.00 O ATOM 71 CB ALA A 68 15.630 5.590 -2.601 1.00 1.00 C ATOM 0 H ALA A 68 13.689 4.439 -3.576 1.00 1.00 H new ATOM 0 HA ALA A 68 14.040 6.173 -1.313 1.00 1.00 H new ATOM 0 HB1 ALA A 68 16.331 6.301 -2.165 1.00 1.00 H new ATOM 0 HB2 ALA A 68 15.753 4.619 -2.121 1.00 1.00 H new ATOM 0 HB3 ALA A 68 15.827 5.494 -3.669 1.00 1.00 H new ATOM 77 N LEU A 69 13.885 8.463 -2.128 1.00 1.00 N ATOM 78 CA LEU A 69 13.665 9.830 -2.568 1.00 1.00 C ATOM 79 C LEU A 69 14.912 10.665 -2.270 1.00 1.00 C ATOM 80 O LEU A 69 15.718 10.922 -3.163 1.00 1.00 O ATOM 81 CB LEU A 69 12.385 10.394 -1.946 1.00 1.00 C ATOM 82 CG LEU A 69 12.273 11.920 -1.910 1.00 1.00 C ATOM 83 CD1 LEU A 69 11.981 12.480 -3.303 1.00 1.00 C ATOM 84 CD2 LEU A 69 11.232 12.369 -0.882 1.00 1.00 C ATOM 0 H LEU A 69 13.969 8.348 -1.118 1.00 1.00 H new ATOM 0 HA LEU A 69 13.510 9.862 -3.646 1.00 1.00 H new ATOM 0 HB2 LEU A 69 11.532 10.000 -2.498 1.00 1.00 H new ATOM 0 HB3 LEU A 69 12.305 10.019 -0.926 1.00 1.00 H new ATOM 0 HG LEU A 69 13.234 12.326 -1.594 1.00 1.00 H new ATOM 0 HD11 LEU A 69 11.906 13.566 -3.250 1.00 1.00 H new ATOM 0 HD12 LEU A 69 12.788 12.204 -3.982 1.00 1.00 H new ATOM 0 HD13 LEU A 69 11.041 12.069 -3.671 1.00 1.00 H new ATOM 0 HD21 LEU A 69 11.172 13.457 -0.876 1.00 1.00 H new ATOM 0 HD22 LEU A 69 10.259 11.953 -1.144 1.00 1.00 H new ATOM 0 HD23 LEU A 69 11.522 12.017 0.108 1.00 1.00 H new ATOM 96 N TYR A 70 15.033 11.063 -1.013 1.00 1.00 N ATOM 97 CA TYR A 70 16.169 11.863 -0.587 1.00 1.00 C ATOM 98 C TYR A 70 17.401 10.986 -0.356 1.00 1.00 C ATOM 99 O TYR A 70 17.287 9.766 -0.242 1.00 1.00 O ATOM 100 CB TYR A 70 15.759 12.505 0.740 1.00 1.00 C ATOM 101 CG TYR A 70 14.862 13.734 0.586 1.00 1.00 C ATOM 102 CD1 TYR A 70 15.195 14.723 -0.317 1.00 1.00 C ATOM 103 CD2 TYR A 70 13.719 13.855 1.350 1.00 1.00 C ATOM 104 CE1 TYR A 70 14.351 15.880 -0.463 1.00 1.00 C ATOM 105 CE2 TYR A 70 12.875 15.012 1.205 1.00 1.00 C ATOM 106 CZ TYR A 70 13.232 15.968 0.306 1.00 1.00 C ATOM 107 OH TYR A 70 12.434 17.061 0.169 1.00 1.00 O ATOM 0 H TYR A 70 14.363 10.847 -0.275 1.00 1.00 H new ATOM 0 HA TYR A 70 16.425 12.601 -1.347 1.00 1.00 H new ATOM 0 HB2 TYR A 70 15.240 11.762 1.346 1.00 1.00 H new ATOM 0 HB3 TYR A 70 16.658 12.790 1.287 1.00 1.00 H new ATOM 0 HD1 TYR A 70 16.090 14.629 -0.915 1.00 1.00 H new ATOM 0 HD2 TYR A 70 13.458 13.081 2.057 1.00 1.00 H new ATOM 0 HE1 TYR A 70 14.600 16.660 -1.167 1.00 1.00 H new ATOM 0 HE2 TYR A 70 11.978 15.119 1.797 1.00 1.00 H new ATOM 0 HH TYR A 70 11.671 16.988 0.780 1.00 1.00 H new ATOM 117 N ASP A 71 18.551 11.641 -0.295 1.00 1.00 N ATOM 118 CA ASP A 71 19.803 10.936 -0.080 1.00 1.00 C ATOM 119 C ASP A 71 20.048 10.787 1.423 1.00 1.00 C ATOM 120 O ASP A 71 19.271 11.287 2.235 1.00 1.00 O ATOM 121 CB ASP A 71 20.980 11.710 -0.676 1.00 1.00 C ATOM 122 CG ASP A 71 21.526 12.837 0.204 1.00 1.00 C ATOM 123 OD1 ASP A 71 20.702 13.675 0.628 1.00 1.00 O ATOM 124 OD2 ASP A 71 22.755 12.834 0.432 1.00 1.00 O ATOM 0 H ASP A 71 18.642 12.652 -0.391 1.00 1.00 H new ATOM 0 HA ASP A 71 19.729 9.962 -0.564 1.00 1.00 H new ATOM 0 HB2 ASP A 71 21.788 11.009 -0.885 1.00 1.00 H new ATOM 0 HB3 ASP A 71 20.670 12.133 -1.632 1.00 1.00 H new ATOM 129 N PHE A 72 21.132 10.097 1.748 1.00 1.00 N ATOM 130 CA PHE A 72 21.489 9.876 3.139 1.00 1.00 C ATOM 131 C PHE A 72 22.988 10.088 3.360 1.00 1.00 C ATOM 132 O PHE A 72 23.755 10.171 2.402 1.00 1.00 O ATOM 133 CB PHE A 72 21.137 8.424 3.465 1.00 1.00 C ATOM 134 CG PHE A 72 20.858 8.169 4.948 1.00 1.00 C ATOM 135 CD1 PHE A 72 21.892 7.998 5.815 1.00 1.00 C ATOM 136 CD2 PHE A 72 19.576 8.115 5.399 1.00 1.00 C ATOM 137 CE1 PHE A 72 21.632 7.761 7.191 1.00 1.00 C ATOM 138 CE2 PHE A 72 19.317 7.878 6.775 1.00 1.00 C ATOM 139 CZ PHE A 72 20.351 7.707 7.642 1.00 1.00 C ATOM 0 H PHE A 72 21.774 9.684 1.072 1.00 1.00 H new ATOM 0 HA PHE A 72 20.952 10.578 3.778 1.00 1.00 H new ATOM 0 HB2 PHE A 72 20.260 8.135 2.886 1.00 1.00 H new ATOM 0 HB3 PHE A 72 21.957 7.781 3.144 1.00 1.00 H new ATOM 0 HD1 PHE A 72 22.910 8.042 5.457 1.00 1.00 H new ATOM 0 HD2 PHE A 72 18.755 8.252 4.711 1.00 1.00 H new ATOM 0 HE1 PHE A 72 22.453 7.624 7.879 1.00 1.00 H new ATOM 0 HE2 PHE A 72 18.299 7.834 7.133 1.00 1.00 H new ATOM 0 HZ PHE A 72 20.154 7.528 8.689 1.00 1.00 H new ATOM 149 N VAL A 73 23.361 10.168 4.629 1.00 1.00 N ATOM 150 CA VAL A 73 24.754 10.368 4.989 1.00 1.00 C ATOM 151 C VAL A 73 25.180 9.288 5.986 1.00 1.00 C ATOM 152 O VAL A 73 24.395 8.888 6.845 1.00 1.00 O ATOM 153 CB VAL A 73 24.959 11.788 5.521 1.00 1.00 C ATOM 154 CG1 VAL A 73 26.409 12.005 5.958 1.00 1.00 C ATOM 155 CG2 VAL A 73 24.537 12.829 4.483 1.00 1.00 C ATOM 0 H VAL A 73 22.722 10.098 5.421 1.00 1.00 H new ATOM 0 HA VAL A 73 25.393 10.269 4.111 1.00 1.00 H new ATOM 0 HB VAL A 73 24.323 11.913 6.397 1.00 1.00 H new ATOM 0 HG11 VAL A 73 26.528 13.022 6.332 1.00 1.00 H new ATOM 0 HG12 VAL A 73 26.661 11.296 6.747 1.00 1.00 H new ATOM 0 HG13 VAL A 73 27.072 11.852 5.107 1.00 1.00 H new ATOM 0 HG21 VAL A 73 24.693 13.829 4.887 1.00 1.00 H new ATOM 0 HG22 VAL A 73 25.134 12.705 3.580 1.00 1.00 H new ATOM 0 HG23 VAL A 73 23.482 12.696 4.242 1.00 1.00 H new ATOM 165 N ALA A 74 26.420 8.848 5.839 1.00 1.00 N ATOM 166 CA ALA A 74 26.959 7.822 6.717 1.00 1.00 C ATOM 167 C ALA A 74 26.778 8.256 8.173 1.00 1.00 C ATOM 168 O ALA A 74 26.622 9.443 8.455 1.00 1.00 O ATOM 169 CB ALA A 74 28.425 7.566 6.362 1.00 1.00 C ATOM 0 H ALA A 74 27.068 9.182 5.126 1.00 1.00 H new ATOM 0 HA ALA A 74 26.423 6.882 6.585 1.00 1.00 H new ATOM 0 HB1 ALA A 74 28.830 6.797 7.020 1.00 1.00 H new ATOM 0 HB2 ALA A 74 28.496 7.232 5.327 1.00 1.00 H new ATOM 0 HB3 ALA A 74 28.995 8.486 6.486 1.00 1.00 H new ATOM 175 N SER A 75 26.805 7.271 9.058 1.00 1.00 N ATOM 176 CA SER A 75 26.646 7.536 10.478 1.00 1.00 C ATOM 177 C SER A 75 27.430 6.506 11.294 1.00 1.00 C ATOM 178 O SER A 75 28.302 6.867 12.083 1.00 1.00 O ATOM 179 CB SER A 75 25.170 7.520 10.880 1.00 1.00 C ATOM 180 OG SER A 75 25.002 7.412 12.290 1.00 1.00 O ATOM 0 H SER A 75 26.935 6.288 8.820 1.00 1.00 H new ATOM 0 HA SER A 75 27.040 8.531 10.686 1.00 1.00 H new ATOM 0 HB2 SER A 75 24.688 8.431 10.526 1.00 1.00 H new ATOM 0 HB3 SER A 75 24.670 6.684 10.390 1.00 1.00 H new ATOM 0 HG SER A 75 24.046 7.407 12.506 1.00 1.00 H new ATOM 186 N GLY A 76 27.092 5.244 11.075 1.00 1.00 N ATOM 187 CA GLY A 76 27.754 4.159 11.780 1.00 1.00 C ATOM 188 C GLY A 76 27.481 2.816 11.099 1.00 1.00 C ATOM 189 O GLY A 76 27.194 2.769 9.904 1.00 1.00 O ATOM 0 H GLY A 76 26.369 4.948 10.420 1.00 1.00 H new ATOM 0 HA2 GLY A 76 28.828 4.343 11.812 1.00 1.00 H new ATOM 0 HA3 GLY A 76 27.405 4.125 12.812 1.00 1.00 H new ATOM 193 N ASP A 77 27.580 1.758 11.890 1.00 1.00 N ATOM 194 CA ASP A 77 27.347 0.418 11.379 1.00 1.00 C ATOM 195 C ASP A 77 25.885 0.033 11.614 1.00 1.00 C ATOM 196 O ASP A 77 25.600 -0.945 12.304 1.00 1.00 O ATOM 197 CB ASP A 77 28.227 -0.607 12.098 1.00 1.00 C ATOM 198 CG ASP A 77 28.635 -1.816 11.254 1.00 1.00 C ATOM 199 OD1 ASP A 77 29.123 -1.582 10.127 1.00 1.00 O ATOM 200 OD2 ASP A 77 28.449 -2.946 11.754 1.00 1.00 O ATOM 0 H ASP A 77 27.818 1.801 12.881 1.00 1.00 H new ATOM 0 HA ASP A 77 27.587 0.417 10.316 1.00 1.00 H new ATOM 0 HB2 ASP A 77 29.130 -0.106 12.448 1.00 1.00 H new ATOM 0 HB3 ASP A 77 27.697 -0.962 12.982 1.00 1.00 H new ATOM 205 N ASN A 78 24.997 0.823 11.028 1.00 1.00 N ATOM 206 CA ASN A 78 23.572 0.577 11.165 1.00 1.00 C ATOM 207 C ASN A 78 22.818 1.357 10.085 1.00 1.00 C ATOM 208 O ASN A 78 21.899 0.830 9.461 1.00 1.00 O ATOM 209 CB ASN A 78 23.061 1.045 12.529 1.00 1.00 C ATOM 210 CG ASN A 78 23.991 0.579 13.651 1.00 1.00 C ATOM 211 OD1 ASN A 78 23.995 -0.574 14.050 1.00 1.00 O ATOM 212 ND2 ASN A 78 24.775 1.537 14.136 1.00 1.00 N ATOM 0 H ASN A 78 25.237 1.634 10.457 1.00 1.00 H new ATOM 0 HA ASN A 78 23.404 -0.495 11.065 1.00 1.00 H new ATOM 0 HB2 ASN A 78 22.988 2.132 12.540 1.00 1.00 H new ATOM 0 HB3 ASN A 78 22.057 0.656 12.699 1.00 1.00 H new ATOM 0 HD21 ASN A 78 25.431 1.327 14.888 1.00 1.00 H new ATOM 0 HD22 ASN A 78 24.720 2.482 13.756 1.00 1.00 H new ATOM 219 N THR A 79 23.236 2.601 9.898 1.00 1.00 N ATOM 220 CA THR A 79 22.612 3.459 8.905 1.00 1.00 C ATOM 221 C THR A 79 22.946 2.971 7.494 1.00 1.00 C ATOM 222 O THR A 79 23.742 2.048 7.324 1.00 1.00 O ATOM 223 CB THR A 79 23.062 4.896 9.173 1.00 1.00 C ATOM 224 OG1 THR A 79 21.845 5.606 9.390 1.00 1.00 O ATOM 225 CG2 THR A 79 23.666 5.562 7.935 1.00 1.00 C ATOM 0 H THR A 79 23.999 3.035 10.417 1.00 1.00 H new ATOM 0 HA THR A 79 21.525 3.424 8.979 1.00 1.00 H new ATOM 0 HB THR A 79 23.793 4.902 9.981 1.00 1.00 H new ATOM 0 HG1 THR A 79 21.669 6.195 8.627 1.00 1.00 H new ATOM 0 HG21 THR A 79 23.969 6.580 8.181 1.00 1.00 H new ATOM 0 HG22 THR A 79 24.536 4.995 7.605 1.00 1.00 H new ATOM 0 HG23 THR A 79 22.924 5.587 7.137 1.00 1.00 H new ATOM 233 N LEU A 80 22.320 3.612 6.518 1.00 1.00 N ATOM 234 CA LEU A 80 22.541 3.255 5.127 1.00 1.00 C ATOM 235 C LEU A 80 22.755 4.528 4.306 1.00 1.00 C ATOM 236 O LEU A 80 21.862 5.370 4.215 1.00 1.00 O ATOM 237 CB LEU A 80 21.399 2.376 4.612 1.00 1.00 C ATOM 238 CG LEU A 80 21.782 1.319 3.574 1.00 1.00 C ATOM 239 CD1 LEU A 80 20.613 0.371 3.299 1.00 1.00 C ATOM 240 CD2 LEU A 80 22.304 1.973 2.292 1.00 1.00 C ATOM 0 H LEU A 80 21.660 4.376 6.663 1.00 1.00 H new ATOM 0 HA LEU A 80 23.445 2.655 5.027 1.00 1.00 H new ATOM 0 HB2 LEU A 80 20.943 1.872 5.464 1.00 1.00 H new ATOM 0 HB3 LEU A 80 20.636 3.023 4.178 1.00 1.00 H new ATOM 0 HG LEU A 80 22.594 0.718 3.983 1.00 1.00 H new ATOM 0 HD11 LEU A 80 20.912 -0.370 2.558 1.00 1.00 H new ATOM 0 HD12 LEU A 80 20.329 -0.134 4.222 1.00 1.00 H new ATOM 0 HD13 LEU A 80 19.764 0.940 2.920 1.00 1.00 H new ATOM 0 HD21 LEU A 80 22.569 1.200 1.571 1.00 1.00 H new ATOM 0 HD22 LEU A 80 21.530 2.613 1.869 1.00 1.00 H new ATOM 0 HD23 LEU A 80 23.185 2.572 2.522 1.00 1.00 H new ATOM 252 N SER A 81 23.943 4.629 3.728 1.00 1.00 N ATOM 253 CA SER A 81 24.285 5.786 2.918 1.00 1.00 C ATOM 254 C SER A 81 23.980 5.502 1.446 1.00 1.00 C ATOM 255 O SER A 81 24.637 4.671 0.821 1.00 1.00 O ATOM 256 CB SER A 81 25.758 6.163 3.091 1.00 1.00 C ATOM 257 OG SER A 81 26.035 6.642 4.404 1.00 1.00 O ATOM 0 H SER A 81 24.681 3.929 3.804 1.00 1.00 H new ATOM 0 HA SER A 81 23.680 6.629 3.252 1.00 1.00 H new ATOM 0 HB2 SER A 81 26.382 5.294 2.883 1.00 1.00 H new ATOM 0 HB3 SER A 81 26.025 6.928 2.362 1.00 1.00 H new ATOM 0 HG SER A 81 25.193 6.830 4.868 1.00 1.00 H new ATOM 263 N ILE A 82 22.983 6.208 0.935 1.00 1.00 N ATOM 264 CA ILE A 82 22.582 6.043 -0.452 1.00 1.00 C ATOM 265 C ILE A 82 22.479 7.417 -1.117 1.00 1.00 C ATOM 266 O ILE A 82 22.763 8.437 -0.489 1.00 1.00 O ATOM 267 CB ILE A 82 21.297 5.218 -0.544 1.00 1.00 C ATOM 268 CG1 ILE A 82 20.777 4.857 0.849 1.00 1.00 C ATOM 269 CG2 ILE A 82 21.502 3.979 -1.418 1.00 1.00 C ATOM 270 CD1 ILE A 82 20.177 6.081 1.544 1.00 1.00 C ATOM 0 H ILE A 82 22.440 6.896 1.457 1.00 1.00 H new ATOM 0 HA ILE A 82 23.336 5.479 -1.001 1.00 1.00 H new ATOM 0 HB ILE A 82 20.533 5.828 -1.025 1.00 1.00 H new ATOM 0 HG12 ILE A 82 20.023 4.074 0.768 1.00 1.00 H new ATOM 0 HG13 ILE A 82 21.591 4.454 1.452 1.00 1.00 H new ATOM 0 HG21 ILE A 82 20.573 3.410 -1.467 1.00 1.00 H new ATOM 0 HG22 ILE A 82 21.792 4.286 -2.423 1.00 1.00 H new ATOM 0 HG23 ILE A 82 22.287 3.356 -0.988 1.00 1.00 H new ATOM 0 HD11 ILE A 82 19.815 5.797 2.532 1.00 1.00 H new ATOM 0 HD12 ILE A 82 20.940 6.853 1.645 1.00 1.00 H new ATOM 0 HD13 ILE A 82 19.348 6.466 0.951 1.00 1.00 H new ATOM 282 N THR A 83 22.073 7.401 -2.378 1.00 1.00 N ATOM 283 CA THR A 83 21.930 8.633 -3.134 1.00 1.00 C ATOM 284 C THR A 83 20.450 8.976 -3.319 1.00 1.00 C ATOM 285 O THR A 83 19.578 8.163 -3.016 1.00 1.00 O ATOM 286 CB THR A 83 22.685 8.469 -4.454 1.00 1.00 C ATOM 287 OG1 THR A 83 23.872 7.770 -4.090 1.00 1.00 O ATOM 288 CG2 THR A 83 23.192 9.802 -5.008 1.00 1.00 C ATOM 0 H THR A 83 21.838 6.554 -2.895 1.00 1.00 H new ATOM 0 HA THR A 83 22.363 9.478 -2.599 1.00 1.00 H new ATOM 0 HB THR A 83 22.034 7.995 -5.188 1.00 1.00 H new ATOM 0 HG1 THR A 83 23.706 6.805 -4.123 1.00 1.00 H new ATOM 0 HG21 THR A 83 23.721 9.629 -5.945 1.00 1.00 H new ATOM 0 HG22 THR A 83 22.347 10.467 -5.185 1.00 1.00 H new ATOM 0 HG23 THR A 83 23.870 10.261 -4.288 1.00 1.00 H new ATOM 296 N LYS A 84 20.212 10.181 -3.815 1.00 1.00 N ATOM 297 CA LYS A 84 18.853 10.642 -4.044 1.00 1.00 C ATOM 298 C LYS A 84 18.268 9.907 -5.252 1.00 1.00 C ATOM 299 O LYS A 84 19.006 9.342 -6.057 1.00 1.00 O ATOM 300 CB LYS A 84 18.819 12.166 -4.174 1.00 1.00 C ATOM 301 CG LYS A 84 19.928 12.662 -5.105 1.00 1.00 C ATOM 302 CD LYS A 84 21.119 13.190 -4.304 1.00 1.00 C ATOM 303 CE LYS A 84 21.582 14.546 -4.840 1.00 1.00 C ATOM 304 NZ LYS A 84 22.177 15.357 -3.755 1.00 1.00 N ATOM 0 H LYS A 84 20.938 10.853 -4.065 1.00 1.00 H new ATOM 0 HA LYS A 84 18.220 10.405 -3.189 1.00 1.00 H new ATOM 0 HB2 LYS A 84 17.849 12.480 -4.559 1.00 1.00 H new ATOM 0 HB3 LYS A 84 18.934 12.621 -3.190 1.00 1.00 H new ATOM 0 HG2 LYS A 84 20.253 11.849 -5.755 1.00 1.00 H new ATOM 0 HG3 LYS A 84 19.541 13.450 -5.750 1.00 1.00 H new ATOM 0 HD2 LYS A 84 20.842 13.285 -3.254 1.00 1.00 H new ATOM 0 HD3 LYS A 84 21.941 12.476 -4.354 1.00 1.00 H new ATOM 0 HE2 LYS A 84 22.313 14.399 -5.635 1.00 1.00 H new ATOM 0 HE3 LYS A 84 20.738 15.078 -5.278 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 22.486 16.274 -4.136 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 21.469 15.513 -3.010 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 22.995 14.855 -3.355 1.00 1.00 H new ATOM 318 N GLY A 85 16.946 9.940 -5.340 1.00 1.00 N ATOM 319 CA GLY A 85 16.253 9.285 -6.436 1.00 1.00 C ATOM 320 C GLY A 85 16.934 7.965 -6.804 1.00 1.00 C ATOM 321 O GLY A 85 16.896 7.544 -7.959 1.00 1.00 O ATOM 0 H GLY A 85 16.337 10.410 -4.670 1.00 1.00 H new ATOM 0 HA2 GLY A 85 15.216 9.098 -6.156 1.00 1.00 H new ATOM 0 HA3 GLY A 85 16.234 9.943 -7.305 1.00 1.00 H new ATOM 325 N GLU A 86 17.541 7.349 -5.801 1.00 1.00 N ATOM 326 CA GLU A 86 18.229 6.085 -6.005 1.00 1.00 C ATOM 327 C GLU A 86 17.234 4.924 -5.948 1.00 1.00 C ATOM 328 O GLU A 86 16.135 5.069 -5.416 1.00 1.00 O ATOM 329 CB GLU A 86 19.348 5.899 -4.978 1.00 1.00 C ATOM 330 CG GLU A 86 20.399 4.910 -5.487 1.00 1.00 C ATOM 331 CD GLU A 86 21.808 5.492 -5.357 1.00 1.00 C ATOM 332 OE1 GLU A 86 22.366 5.382 -4.244 1.00 1.00 O ATOM 333 OE2 GLU A 86 22.295 6.033 -6.373 1.00 1.00 O ATOM 0 H GLU A 86 17.571 7.701 -4.844 1.00 1.00 H new ATOM 0 HA GLU A 86 18.686 6.097 -6.994 1.00 1.00 H new ATOM 0 HB2 GLU A 86 19.818 6.860 -4.769 1.00 1.00 H new ATOM 0 HB3 GLU A 86 18.929 5.538 -4.039 1.00 1.00 H new ATOM 0 HG2 GLU A 86 20.332 3.980 -4.922 1.00 1.00 H new ATOM 0 HG3 GLU A 86 20.198 4.665 -6.530 1.00 1.00 H new ATOM 340 N LYS A 87 17.656 3.798 -6.505 1.00 1.00 N ATOM 341 CA LYS A 87 16.816 2.613 -6.525 1.00 1.00 C ATOM 342 C LYS A 87 16.912 1.902 -5.174 1.00 1.00 C ATOM 343 O LYS A 87 17.699 0.970 -5.013 1.00 1.00 O ATOM 344 CB LYS A 87 17.176 1.721 -7.715 1.00 1.00 C ATOM 345 CG LYS A 87 16.409 0.398 -7.661 1.00 1.00 C ATOM 346 CD LYS A 87 17.346 -0.765 -7.331 1.00 1.00 C ATOM 347 CE LYS A 87 16.984 -2.009 -8.145 1.00 1.00 C ATOM 348 NZ LYS A 87 17.376 -1.832 -9.561 1.00 1.00 N ATOM 0 H LYS A 87 18.569 3.682 -6.946 1.00 1.00 H new ATOM 0 HA LYS A 87 15.771 2.890 -6.667 1.00 1.00 H new ATOM 0 HB2 LYS A 87 16.947 2.240 -8.646 1.00 1.00 H new ATOM 0 HB3 LYS A 87 18.248 1.524 -7.715 1.00 1.00 H new ATOM 0 HG2 LYS A 87 15.622 0.460 -6.910 1.00 1.00 H new ATOM 0 HG3 LYS A 87 15.922 0.217 -8.619 1.00 1.00 H new ATOM 0 HD2 LYS A 87 18.376 -0.477 -7.539 1.00 1.00 H new ATOM 0 HD3 LYS A 87 17.288 -0.993 -6.267 1.00 1.00 H new ATOM 0 HE2 LYS A 87 17.486 -2.882 -7.729 1.00 1.00 H new ATOM 0 HE3 LYS A 87 15.912 -2.196 -8.078 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 17.380 -2.756 -10.038 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 16.697 -1.201 -10.033 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 18.327 -1.414 -9.608 1.00 1.00 H new ATOM 362 N LEU A 88 16.101 2.369 -4.236 1.00 1.00 N ATOM 363 CA LEU A 88 16.085 1.790 -2.904 1.00 1.00 C ATOM 364 C LEU A 88 14.642 1.721 -2.400 1.00 1.00 C ATOM 365 O LEU A 88 14.009 2.752 -2.174 1.00 1.00 O ATOM 366 CB LEU A 88 17.025 2.559 -1.974 1.00 1.00 C ATOM 367 CG LEU A 88 16.798 2.357 -0.474 1.00 1.00 C ATOM 368 CD1 LEU A 88 17.982 2.890 0.336 1.00 1.00 C ATOM 369 CD2 LEU A 88 15.474 2.982 -0.031 1.00 1.00 C ATOM 0 H LEU A 88 15.450 3.142 -4.373 1.00 1.00 H new ATOM 0 HA LEU A 88 16.464 0.768 -2.928 1.00 1.00 H new ATOM 0 HB2 LEU A 88 18.050 2.272 -2.208 1.00 1.00 H new ATOM 0 HB3 LEU A 88 16.933 3.622 -2.195 1.00 1.00 H new ATOM 0 HG LEU A 88 16.730 1.287 -0.280 1.00 1.00 H new ATOM 0 HD11 LEU A 88 17.795 2.734 1.399 1.00 1.00 H new ATOM 0 HD12 LEU A 88 18.889 2.361 0.045 1.00 1.00 H new ATOM 0 HD13 LEU A 88 18.106 3.955 0.142 1.00 1.00 H new ATOM 0 HD21 LEU A 88 15.337 2.824 1.039 1.00 1.00 H new ATOM 0 HD22 LEU A 88 15.488 4.051 -0.241 1.00 1.00 H new ATOM 0 HD23 LEU A 88 14.652 2.516 -0.574 1.00 1.00 H new ATOM 381 N ARG A 89 14.163 0.496 -2.237 1.00 1.00 N ATOM 382 CA ARG A 89 12.807 0.280 -1.764 1.00 1.00 C ATOM 383 C ARG A 89 12.823 -0.471 -0.431 1.00 1.00 C ATOM 384 O ARG A 89 13.692 -1.310 -0.198 1.00 1.00 O ATOM 385 CB ARG A 89 11.989 -0.519 -2.782 1.00 1.00 C ATOM 386 CG ARG A 89 10.718 -1.082 -2.143 1.00 1.00 C ATOM 387 CD ARG A 89 9.909 -1.894 -3.156 1.00 1.00 C ATOM 388 NE ARG A 89 9.144 -2.953 -2.461 1.00 1.00 N ATOM 389 CZ ARG A 89 9.639 -4.161 -2.159 1.00 1.00 C ATOM 390 NH1 ARG A 89 10.901 -4.470 -2.489 1.00 1.00 N ATOM 391 NH2 ARG A 89 8.873 -5.060 -1.526 1.00 1.00 N ATOM 0 H ARG A 89 14.690 -0.357 -2.424 1.00 1.00 H new ATOM 0 HA ARG A 89 12.343 1.257 -1.629 1.00 1.00 H new ATOM 0 HB2 ARG A 89 11.724 0.121 -3.624 1.00 1.00 H new ATOM 0 HB3 ARG A 89 12.593 -1.335 -3.179 1.00 1.00 H new ATOM 0 HG2 ARG A 89 10.982 -1.712 -1.294 1.00 1.00 H new ATOM 0 HG3 ARG A 89 10.109 -0.265 -1.756 1.00 1.00 H new ATOM 0 HD2 ARG A 89 9.228 -1.239 -3.699 1.00 1.00 H new ATOM 0 HD3 ARG A 89 10.577 -2.340 -3.893 1.00 1.00 H new ATOM 0 HE ARG A 89 8.180 -2.751 -2.195 1.00 1.00 H new ATOM 0 HH11 ARG A 89 11.485 -3.786 -2.970 1.00 1.00 H new ATOM 0 HH12 ARG A 89 11.278 -5.390 -2.259 1.00 1.00 H new ATOM 0 HH21 ARG A 89 7.913 -4.825 -1.274 1.00 1.00 H new ATOM 0 HH22 ARG A 89 9.250 -5.980 -1.296 1.00 1.00 H new ATOM 405 N VAL A 90 11.852 -0.142 0.408 1.00 1.00 N ATOM 406 CA VAL A 90 11.744 -0.775 1.712 1.00 1.00 C ATOM 407 C VAL A 90 11.302 -2.229 1.533 1.00 1.00 C ATOM 408 O VAL A 90 10.385 -2.513 0.764 1.00 1.00 O ATOM 409 CB VAL A 90 10.801 0.031 2.608 1.00 1.00 C ATOM 410 CG1 VAL A 90 10.629 -0.645 3.970 1.00 1.00 C ATOM 411 CG2 VAL A 90 11.295 1.470 2.769 1.00 1.00 C ATOM 0 H VAL A 90 11.133 0.554 0.211 1.00 1.00 H new ATOM 0 HA VAL A 90 12.713 -0.789 2.212 1.00 1.00 H new ATOM 0 HB VAL A 90 9.825 0.064 2.124 1.00 1.00 H new ATOM 0 HG11 VAL A 90 9.954 -0.052 4.588 1.00 1.00 H new ATOM 0 HG12 VAL A 90 10.212 -1.642 3.831 1.00 1.00 H new ATOM 0 HG13 VAL A 90 11.598 -0.723 4.463 1.00 1.00 H new ATOM 0 HG21 VAL A 90 10.607 2.021 3.410 1.00 1.00 H new ATOM 0 HG22 VAL A 90 12.287 1.466 3.220 1.00 1.00 H new ATOM 0 HG23 VAL A 90 11.343 1.950 1.791 1.00 1.00 H new ATOM 421 N LEU A 91 11.975 -3.112 2.256 1.00 1.00 N ATOM 422 CA LEU A 91 11.663 -4.529 2.187 1.00 1.00 C ATOM 423 C LEU A 91 10.956 -4.955 3.476 1.00 1.00 C ATOM 424 O LEU A 91 10.008 -5.738 3.439 1.00 1.00 O ATOM 425 CB LEU A 91 12.923 -5.341 1.880 1.00 1.00 C ATOM 426 CG LEU A 91 12.989 -5.977 0.490 1.00 1.00 C ATOM 427 CD1 LEU A 91 14.160 -6.957 0.391 1.00 1.00 C ATOM 428 CD2 LEU A 91 11.657 -6.636 0.125 1.00 1.00 C ATOM 0 H LEU A 91 12.735 -2.873 2.893 1.00 1.00 H new ATOM 0 HA LEU A 91 10.975 -4.728 1.365 1.00 1.00 H new ATOM 0 HB2 LEU A 91 13.789 -4.690 2.002 1.00 1.00 H new ATOM 0 HB3 LEU A 91 13.012 -6.132 2.624 1.00 1.00 H new ATOM 0 HG LEU A 91 13.168 -5.187 -0.239 1.00 1.00 H new ATOM 0 HD11 LEU A 91 14.184 -7.395 -0.607 1.00 1.00 H new ATOM 0 HD12 LEU A 91 15.094 -6.428 0.578 1.00 1.00 H new ATOM 0 HD13 LEU A 91 14.037 -7.747 1.131 1.00 1.00 H new ATOM 0 HD21 LEU A 91 11.731 -7.080 -0.868 1.00 1.00 H new ATOM 0 HD22 LEU A 91 11.423 -7.412 0.854 1.00 1.00 H new ATOM 0 HD23 LEU A 91 10.867 -5.885 0.129 1.00 1.00 H new ATOM 440 N GLY A 92 11.445 -4.420 4.585 1.00 1.00 N ATOM 441 CA GLY A 92 10.872 -4.735 5.883 1.00 1.00 C ATOM 442 C GLY A 92 10.763 -3.481 6.753 1.00 1.00 C ATOM 443 O GLY A 92 11.348 -2.447 6.434 1.00 1.00 O ATOM 0 H GLY A 92 12.231 -3.771 4.612 1.00 1.00 H new ATOM 0 HA2 GLY A 92 9.885 -5.177 5.751 1.00 1.00 H new ATOM 0 HA3 GLY A 92 11.490 -5.479 6.386 1.00 1.00 H new ATOM 447 N TYR A 93 10.010 -3.614 7.835 1.00 1.00 N ATOM 448 CA TYR A 93 9.817 -2.504 8.753 1.00 1.00 C ATOM 449 C TYR A 93 10.313 -2.861 10.156 1.00 1.00 C ATOM 450 O TYR A 93 10.711 -3.997 10.407 1.00 1.00 O ATOM 451 CB TYR A 93 8.308 -2.258 8.806 1.00 1.00 C ATOM 452 CG TYR A 93 7.595 -2.478 7.470 1.00 1.00 C ATOM 453 CD1 TYR A 93 8.013 -1.798 6.344 1.00 1.00 C ATOM 454 CD2 TYR A 93 6.533 -3.356 7.391 1.00 1.00 C ATOM 455 CE1 TYR A 93 7.342 -2.005 5.087 1.00 1.00 C ATOM 456 CE2 TYR A 93 5.862 -3.564 6.134 1.00 1.00 C ATOM 457 CZ TYR A 93 6.299 -2.878 5.044 1.00 1.00 C ATOM 458 OH TYR A 93 5.665 -3.073 3.857 1.00 1.00 O ATOM 0 H TYR A 93 9.526 -4.473 8.097 1.00 1.00 H new ATOM 0 HA TYR A 93 10.372 -1.628 8.418 1.00 1.00 H new ATOM 0 HB2 TYR A 93 7.869 -2.918 9.554 1.00 1.00 H new ATOM 0 HB3 TYR A 93 8.128 -1.236 9.138 1.00 1.00 H new ATOM 0 HD1 TYR A 93 8.844 -1.110 6.406 1.00 1.00 H new ATOM 0 HD2 TYR A 93 6.205 -3.887 8.272 1.00 1.00 H new ATOM 0 HE1 TYR A 93 7.659 -1.479 4.198 1.00 1.00 H new ATOM 0 HE2 TYR A 93 5.031 -4.249 6.059 1.00 1.00 H new ATOM 0 HH TYR A 93 4.941 -3.723 3.976 1.00 1.00 H new ATOM 468 N ASN A 94 10.272 -1.869 11.034 1.00 1.00 N ATOM 469 CA ASN A 94 10.712 -2.064 12.405 1.00 1.00 C ATOM 470 C ASN A 94 9.512 -2.457 13.269 1.00 1.00 C ATOM 471 O ASN A 94 9.539 -2.288 14.488 1.00 1.00 O ATOM 472 CB ASN A 94 11.308 -0.778 12.980 1.00 1.00 C ATOM 473 CG ASN A 94 10.216 0.119 13.566 1.00 1.00 C ATOM 474 OD1 ASN A 94 9.999 0.174 14.765 1.00 1.00 O ATOM 475 ND2 ASN A 94 9.542 0.816 12.655 1.00 1.00 N ATOM 0 H ASN A 94 9.941 -0.928 10.822 1.00 1.00 H new ATOM 0 HA ASN A 94 11.471 -2.846 12.408 1.00 1.00 H new ATOM 0 HB2 ASN A 94 12.035 -1.024 13.754 1.00 1.00 H new ATOM 0 HB3 ASN A 94 11.844 -0.240 12.198 1.00 1.00 H new ATOM 0 HD21 ASN A 94 8.792 1.444 12.945 1.00 1.00 H new ATOM 0 HD22 ASN A 94 9.775 0.723 11.666 1.00 1.00 H new ATOM 482 N HIS A 95 8.488 -2.974 12.606 1.00 1.00 N ATOM 483 CA HIS A 95 7.281 -3.392 13.299 1.00 1.00 C ATOM 484 C HIS A 95 6.541 -2.162 13.828 1.00 1.00 C ATOM 485 O HIS A 95 5.961 -2.200 14.911 1.00 1.00 O ATOM 486 CB HIS A 95 7.609 -4.404 14.398 1.00 1.00 C ATOM 487 CG HIS A 95 6.602 -5.523 14.522 1.00 1.00 C ATOM 488 ND1 HIS A 95 6.629 -6.444 15.554 1.00 1.00 N ATOM 489 CD2 HIS A 95 5.540 -5.858 13.735 1.00 1.00 C ATOM 490 CE1 HIS A 95 5.624 -7.291 15.385 1.00 1.00 C ATOM 491 NE2 HIS A 95 4.951 -6.926 14.257 1.00 1.00 N ATOM 0 H HIS A 95 8.469 -3.113 11.596 1.00 1.00 H new ATOM 0 HA HIS A 95 6.615 -3.902 12.602 1.00 1.00 H new ATOM 0 HB2 HIS A 95 8.591 -4.833 14.201 1.00 1.00 H new ATOM 0 HB3 HIS A 95 7.675 -3.881 15.352 1.00 1.00 H new ATOM 0 HD2 HIS A 95 5.231 -5.341 12.838 1.00 1.00 H new ATOM 0 HE1 HIS A 95 5.381 -8.124 16.028 1.00 1.00 H new ATOM 0 HE2 HIS A 95 4.130 -7.397 13.877 1.00 1.00 H new ATOM 499 N ASN A 96 6.585 -1.099 13.037 1.00 1.00 N ATOM 500 CA ASN A 96 5.926 0.140 13.412 1.00 1.00 C ATOM 501 C ASN A 96 6.082 1.158 12.281 1.00 1.00 C ATOM 502 O ASN A 96 6.618 0.837 11.222 1.00 1.00 O ATOM 503 CB ASN A 96 6.551 0.737 14.675 1.00 1.00 C ATOM 504 CG ASN A 96 5.473 1.140 15.683 1.00 1.00 C ATOM 505 OD1 ASN A 96 4.420 1.649 15.334 1.00 1.00 O ATOM 506 ND2 ASN A 96 5.794 0.886 16.948 1.00 1.00 N ATOM 0 H ASN A 96 7.067 -1.071 12.138 1.00 1.00 H new ATOM 0 HA ASN A 96 4.875 -0.081 13.600 1.00 1.00 H new ATOM 0 HB2 ASN A 96 7.225 0.011 15.129 1.00 1.00 H new ATOM 0 HB3 ASN A 96 7.151 1.608 14.411 1.00 1.00 H new ATOM 0 HD21 ASN A 96 5.141 1.119 17.696 1.00 1.00 H new ATOM 0 HD22 ASN A 96 6.693 0.458 17.170 1.00 1.00 H new ATOM 513 N GLY A 97 5.603 2.366 12.544 1.00 1.00 N ATOM 514 CA GLY A 97 5.682 3.433 11.561 1.00 1.00 C ATOM 515 C GLY A 97 6.750 4.458 11.950 1.00 1.00 C ATOM 516 O GLY A 97 6.464 5.650 12.046 1.00 1.00 O ATOM 0 H GLY A 97 5.159 2.629 13.424 1.00 1.00 H new ATOM 0 HA2 GLY A 97 5.914 3.014 10.582 1.00 1.00 H new ATOM 0 HA3 GLY A 97 4.714 3.926 11.475 1.00 1.00 H new ATOM 520 N GLU A 98 7.957 3.955 12.163 1.00 1.00 N ATOM 521 CA GLU A 98 9.069 4.812 12.539 1.00 1.00 C ATOM 522 C GLU A 98 10.191 4.711 11.504 1.00 1.00 C ATOM 523 O GLU A 98 10.478 5.677 10.798 1.00 1.00 O ATOM 524 CB GLU A 98 9.580 4.465 13.938 1.00 1.00 C ATOM 525 CG GLU A 98 8.591 4.919 15.013 1.00 1.00 C ATOM 526 CD GLU A 98 7.615 3.796 15.371 1.00 1.00 C ATOM 527 OE1 GLU A 98 7.955 3.021 16.291 1.00 1.00 O ATOM 528 OE2 GLU A 98 6.552 3.737 14.716 1.00 1.00 O ATOM 0 H GLU A 98 8.189 2.965 12.082 1.00 1.00 H new ATOM 0 HA GLU A 98 8.716 5.843 12.563 1.00 1.00 H new ATOM 0 HB2 GLU A 98 9.737 3.389 14.015 1.00 1.00 H new ATOM 0 HB3 GLU A 98 10.546 4.941 14.104 1.00 1.00 H new ATOM 0 HG2 GLU A 98 9.135 5.230 15.905 1.00 1.00 H new ATOM 0 HG3 GLU A 98 8.037 5.788 14.658 1.00 1.00 H new ATOM 535 N TRP A 99 10.795 3.533 11.446 1.00 1.00 N ATOM 536 CA TRP A 99 11.879 3.293 10.509 1.00 1.00 C ATOM 537 C TRP A 99 11.642 1.933 9.850 1.00 1.00 C ATOM 538 O TRP A 99 10.960 1.078 10.412 1.00 1.00 O ATOM 539 CB TRP A 99 13.238 3.391 11.206 1.00 1.00 C ATOM 540 CG TRP A 99 13.688 4.825 11.493 1.00 1.00 C ATOM 541 CD1 TRP A 99 13.078 5.746 12.251 1.00 1.00 C ATOM 542 CD2 TRP A 99 14.879 5.469 10.991 1.00 1.00 C ATOM 543 NE1 TRP A 99 13.785 6.931 12.275 1.00 1.00 N ATOM 544 CE2 TRP A 99 14.914 6.757 11.484 1.00 1.00 C ATOM 545 CE3 TRP A 99 15.892 4.978 10.148 1.00 1.00 C ATOM 546 CZ2 TRP A 99 15.942 7.662 11.191 1.00 1.00 C ATOM 547 CZ3 TRP A 99 16.911 5.895 9.865 1.00 1.00 C ATOM 548 CH2 TRP A 99 16.962 7.195 10.353 1.00 1.00 C ATOM 0 H TRP A 99 10.554 2.734 12.033 1.00 1.00 H new ATOM 0 HA TRP A 99 11.894 4.058 9.733 1.00 1.00 H new ATOM 0 HB2 TRP A 99 13.194 2.840 12.145 1.00 1.00 H new ATOM 0 HB3 TRP A 99 13.989 2.903 10.585 1.00 1.00 H new ATOM 0 HD1 TRP A 99 12.149 5.582 12.777 1.00 1.00 H new ATOM 0 HE1 TRP A 99 13.526 7.778 12.780 1.00 1.00 H new ATOM 0 HE3 TRP A 99 15.884 3.974 9.751 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 15.948 8.666 11.590 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 17.715 5.569 9.222 1.00 1.00 H new ATOM 0 HH2 TRP A 99 17.785 7.842 10.087 1.00 1.00 H new ATOM 559 N CYS A 100 12.218 1.776 8.667 1.00 1.00 N ATOM 560 CA CYS A 100 12.078 0.535 7.925 1.00 1.00 C ATOM 561 C CYS A 100 13.449 0.155 7.362 1.00 1.00 C ATOM 562 O CYS A 100 14.204 1.019 6.920 1.00 1.00 O ATOM 563 CB CYS A 100 11.021 0.650 6.825 1.00 1.00 C ATOM 564 SG CYS A 100 9.574 1.585 7.443 1.00 1.00 S ATOM 0 H CYS A 100 12.783 2.488 8.204 1.00 1.00 H new ATOM 0 HA CYS A 100 11.729 -0.253 8.592 1.00 1.00 H new ATOM 0 HB2 CYS A 100 11.443 1.151 5.954 1.00 1.00 H new ATOM 0 HB3 CYS A 100 10.711 -0.344 6.502 1.00 1.00 H new ATOM 0 HG CYS A 100 8.683 1.679 6.501 1.00 1.00 H new ATOM 570 N GLU A 101 13.729 -1.140 7.396 1.00 1.00 N ATOM 571 CA GLU A 101 14.995 -1.645 6.894 1.00 1.00 C ATOM 572 C GLU A 101 14.946 -1.783 5.371 1.00 1.00 C ATOM 573 O GLU A 101 13.969 -2.290 4.821 1.00 1.00 O ATOM 574 CB GLU A 101 15.353 -2.978 7.554 1.00 1.00 C ATOM 575 CG GLU A 101 16.855 -3.253 7.454 1.00 1.00 C ATOM 576 CD GLU A 101 17.125 -4.549 6.687 1.00 1.00 C ATOM 577 OE1 GLU A 101 17.164 -5.606 7.353 1.00 1.00 O ATOM 578 OE2 GLU A 101 17.288 -4.453 5.451 1.00 1.00 O ATOM 0 H GLU A 101 13.100 -1.854 7.764 1.00 1.00 H new ATOM 0 HA GLU A 101 15.776 -0.929 7.149 1.00 1.00 H new ATOM 0 HB2 GLU A 101 15.051 -2.962 8.601 1.00 1.00 H new ATOM 0 HB3 GLU A 101 14.799 -3.785 7.075 1.00 1.00 H new ATOM 0 HG2 GLU A 101 17.348 -2.420 6.953 1.00 1.00 H new ATOM 0 HG3 GLU A 101 17.283 -3.322 8.454 1.00 1.00 H new ATOM 585 N ALA A 102 16.011 -1.322 4.733 1.00 1.00 N ATOM 586 CA ALA A 102 16.102 -1.388 3.284 1.00 1.00 C ATOM 587 C ALA A 102 17.486 -1.904 2.887 1.00 1.00 C ATOM 588 O ALA A 102 18.412 -1.896 3.697 1.00 1.00 O ATOM 589 CB ALA A 102 15.801 -0.009 2.691 1.00 1.00 C ATOM 0 H ALA A 102 16.819 -0.901 5.192 1.00 1.00 H new ATOM 0 HA ALA A 102 15.364 -2.084 2.884 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.869 -0.058 1.604 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.796 0.299 2.978 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.524 0.715 3.068 1.00 1.00 H new ATOM 595 N GLN A 103 17.584 -2.340 1.639 1.00 1.00 N ATOM 596 CA GLN A 103 18.840 -2.859 1.125 1.00 1.00 C ATOM 597 C GLN A 103 19.359 -1.968 -0.006 1.00 1.00 C ATOM 598 O GLN A 103 18.603 -1.189 -0.584 1.00 1.00 O ATOM 599 CB GLN A 103 18.684 -4.306 0.654 1.00 1.00 C ATOM 600 CG GLN A 103 17.851 -5.119 1.648 1.00 1.00 C ATOM 601 CD GLN A 103 17.383 -6.435 1.023 1.00 1.00 C ATOM 602 OE1 GLN A 103 17.104 -6.525 -0.161 1.00 1.00 O ATOM 603 NE2 GLN A 103 17.311 -7.447 1.883 1.00 1.00 N ATOM 0 H GLN A 103 16.814 -2.344 0.970 1.00 1.00 H new ATOM 0 HA GLN A 103 19.571 -2.851 1.933 1.00 1.00 H new ATOM 0 HB2 GLN A 103 18.207 -4.324 -0.326 1.00 1.00 H new ATOM 0 HB3 GLN A 103 19.667 -4.763 0.539 1.00 1.00 H new ATOM 0 HG2 GLN A 103 18.442 -5.326 2.540 1.00 1.00 H new ATOM 0 HG3 GLN A 103 16.987 -4.536 1.966 1.00 1.00 H new ATOM 0 HE21 GLN A 103 17.559 -7.303 2.862 1.00 1.00 H new ATOM 0 HE22 GLN A 103 17.007 -8.367 1.564 1.00 1.00 H new ATOM 612 N THR A 104 20.646 -2.113 -0.287 1.00 1.00 N ATOM 613 CA THR A 104 21.275 -1.331 -1.338 1.00 1.00 C ATOM 614 C THR A 104 22.171 -2.221 -2.201 1.00 1.00 C ATOM 615 O THR A 104 22.781 -3.165 -1.702 1.00 1.00 O ATOM 616 CB THR A 104 22.024 -0.171 -0.679 1.00 1.00 C ATOM 617 OG1 THR A 104 22.631 -0.756 0.469 1.00 1.00 O ATOM 618 CG2 THR A 104 21.079 0.886 -0.103 1.00 1.00 C ATOM 0 H THR A 104 21.270 -2.760 0.195 1.00 1.00 H new ATOM 0 HA THR A 104 20.533 -0.913 -2.019 1.00 1.00 H new ATOM 0 HB THR A 104 22.686 0.294 -1.410 1.00 1.00 H new ATOM 0 HG1 THR A 104 23.535 -0.394 0.581 1.00 1.00 H new ATOM 0 HG21 THR A 104 21.662 1.686 0.353 1.00 1.00 H new ATOM 0 HG22 THR A 104 20.462 1.297 -0.902 1.00 1.00 H new ATOM 0 HG23 THR A 104 20.439 0.429 0.651 1.00 1.00 H new ATOM 626 N LYS A 105 22.222 -1.888 -3.483 1.00 1.00 N ATOM 627 CA LYS A 105 23.033 -2.646 -4.421 1.00 1.00 C ATOM 628 C LYS A 105 24.483 -2.668 -3.932 1.00 1.00 C ATOM 629 O LYS A 105 25.256 -3.546 -4.312 1.00 1.00 O ATOM 630 CB LYS A 105 22.870 -2.093 -5.838 1.00 1.00 C ATOM 631 CG LYS A 105 22.415 -3.188 -6.805 1.00 1.00 C ATOM 632 CD LYS A 105 21.497 -2.618 -7.887 1.00 1.00 C ATOM 633 CE LYS A 105 22.305 -1.893 -8.965 1.00 1.00 C ATOM 634 NZ LYS A 105 21.553 -1.858 -10.240 1.00 1.00 N ATOM 0 H LYS A 105 21.715 -1.104 -3.894 1.00 1.00 H new ATOM 0 HA LYS A 105 22.696 -3.682 -4.467 1.00 1.00 H new ATOM 0 HB2 LYS A 105 22.143 -1.281 -5.834 1.00 1.00 H new ATOM 0 HB3 LYS A 105 23.816 -1.672 -6.179 1.00 1.00 H new ATOM 0 HG2 LYS A 105 23.285 -3.653 -7.269 1.00 1.00 H new ATOM 0 HG3 LYS A 105 21.892 -3.970 -6.254 1.00 1.00 H new ATOM 0 HD2 LYS A 105 20.919 -3.424 -8.340 1.00 1.00 H new ATOM 0 HD3 LYS A 105 20.783 -1.928 -7.437 1.00 1.00 H new ATOM 0 HE2 LYS A 105 22.528 -0.877 -8.639 1.00 1.00 H new ATOM 0 HE3 LYS A 105 23.260 -2.397 -9.113 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 22.115 -1.363 -10.961 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 21.362 -2.830 -10.557 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 20.653 -1.357 -10.098 1.00 1.00 H new ATOM 648 N ASN A 106 24.808 -1.692 -3.097 1.00 1.00 N ATOM 649 CA ASN A 106 26.151 -1.588 -2.553 1.00 1.00 C ATOM 650 C ASN A 106 26.252 -2.444 -1.289 1.00 1.00 C ATOM 651 O ASN A 106 27.262 -3.109 -1.064 1.00 1.00 O ATOM 652 CB ASN A 106 26.481 -0.143 -2.173 1.00 1.00 C ATOM 653 CG ASN A 106 27.733 -0.080 -1.295 1.00 1.00 C ATOM 654 OD1 ASN A 106 28.842 -0.339 -1.732 1.00 1.00 O ATOM 655 ND2 ASN A 106 27.493 0.279 -0.037 1.00 1.00 N ATOM 0 H ASN A 106 24.164 -0.966 -2.784 1.00 1.00 H new ATOM 0 HA ASN A 106 26.851 -1.929 -3.316 1.00 1.00 H new ATOM 0 HB2 ASN A 106 26.635 0.448 -3.076 1.00 1.00 H new ATOM 0 HB3 ASN A 106 25.638 0.299 -1.643 1.00 1.00 H new ATOM 0 HD21 ASN A 106 28.263 0.351 0.628 1.00 1.00 H new ATOM 0 HD22 ASN A 106 26.539 0.482 0.262 1.00 1.00 H new ATOM 662 N GLY A 107 25.190 -2.401 -0.497 1.00 1.00 N ATOM 663 CA GLY A 107 25.147 -3.165 0.738 1.00 1.00 C ATOM 664 C GLY A 107 23.752 -3.114 1.365 1.00 1.00 C ATOM 665 O GLY A 107 22.753 -3.342 0.684 1.00 1.00 O ATOM 0 H GLY A 107 24.353 -1.849 -0.687 1.00 1.00 H new ATOM 0 HA2 GLY A 107 25.423 -4.201 0.539 1.00 1.00 H new ATOM 0 HA3 GLY A 107 25.880 -2.769 1.441 1.00 1.00 H new ATOM 669 N GLN A 108 23.729 -2.815 2.655 1.00 1.00 N ATOM 670 CA GLN A 108 22.473 -2.731 3.382 1.00 1.00 C ATOM 671 C GLN A 108 22.576 -1.696 4.504 1.00 1.00 C ATOM 672 O GLN A 108 23.629 -1.092 4.700 1.00 1.00 O ATOM 673 CB GLN A 108 22.067 -4.099 3.933 1.00 1.00 C ATOM 674 CG GLN A 108 21.008 -4.756 3.045 1.00 1.00 C ATOM 675 CD GLN A 108 21.066 -6.281 3.159 1.00 1.00 C ATOM 676 OE1 GLN A 108 20.333 -6.919 2.251 1.00 1.00 O flip ATOM 677 NE2 GLN A 108 21.732 -6.840 4.014 1.00 1.00 N flip ATOM 0 H GLN A 108 24.560 -2.628 3.216 1.00 1.00 H new ATOM 0 HA GLN A 108 21.696 -2.409 2.689 1.00 1.00 H new ATOM 0 HB2 GLN A 108 22.944 -4.744 3.997 1.00 1.00 H new ATOM 0 HB3 GLN A 108 21.679 -3.987 4.945 1.00 1.00 H new ATOM 0 HG2 GLN A 108 20.017 -4.404 3.333 1.00 1.00 H new ATOM 0 HG3 GLN A 108 21.163 -4.459 2.008 1.00 1.00 H new ATOM 0 HE21 GLN A 108 22.272 -6.289 4.681 1.00 1.00 H new ATOM 0 HE22 GLN A 108 21.749 -7.859 4.062 1.00 1.00 H new ATOM 686 N GLY A 109 21.469 -1.525 5.211 1.00 1.00 N ATOM 687 CA GLY A 109 21.422 -0.573 6.309 1.00 1.00 C ATOM 688 C GLY A 109 19.982 -0.154 6.610 1.00 1.00 C ATOM 689 O GLY A 109 19.044 -0.650 5.986 1.00 1.00 O ATOM 0 H GLY A 109 20.598 -2.029 5.046 1.00 1.00 H new ATOM 0 HA2 GLY A 109 21.869 -1.016 7.199 1.00 1.00 H new ATOM 0 HA3 GLY A 109 22.016 0.306 6.058 1.00 1.00 H new ATOM 693 N TRP A 110 19.851 0.754 7.565 1.00 1.00 N ATOM 694 CA TRP A 110 18.541 1.245 7.957 1.00 1.00 C ATOM 695 C TRP A 110 18.198 2.440 7.065 1.00 1.00 C ATOM 696 O TRP A 110 19.091 3.102 6.538 1.00 1.00 O ATOM 697 CB TRP A 110 18.505 1.583 9.448 1.00 1.00 C ATOM 698 CG TRP A 110 18.063 0.421 10.340 1.00 1.00 C ATOM 699 CD1 TRP A 110 18.832 -0.494 10.945 1.00 1.00 C ATOM 700 CD2 TRP A 110 16.707 0.085 10.704 1.00 1.00 C ATOM 701 NE1 TRP A 110 18.074 -1.392 11.669 1.00 1.00 N ATOM 702 CE2 TRP A 110 16.741 -1.029 11.518 1.00 1.00 C ATOM 703 CE3 TRP A 110 15.492 0.701 10.356 1.00 1.00 C ATOM 704 CZ2 TRP A 110 15.592 -1.623 12.053 1.00 1.00 C ATOM 705 CZ3 TRP A 110 14.353 0.096 10.899 1.00 1.00 C ATOM 706 CH2 TRP A 110 14.370 -1.026 11.721 1.00 1.00 C ATOM 0 H TRP A 110 20.631 1.163 8.079 1.00 1.00 H new ATOM 0 HA TRP A 110 17.783 0.475 7.815 1.00 1.00 H new ATOM 0 HB2 TRP A 110 19.497 1.910 9.760 1.00 1.00 H new ATOM 0 HB3 TRP A 110 17.829 2.424 9.603 1.00 1.00 H new ATOM 0 HD1 TRP A 110 19.909 -0.525 10.875 1.00 1.00 H new ATOM 0 HE1 TRP A 110 18.427 -2.178 12.215 1.00 1.00 H new ATOM 0 HE3 TRP A 110 15.442 1.572 9.720 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 15.645 -2.495 12.688 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 13.393 0.531 10.663 1.00 1.00 H new ATOM 0 HH2 TRP A 110 13.445 -1.434 12.101 1.00 1.00 H new ATOM 717 N VAL A 111 16.903 2.680 6.923 1.00 1.00 N ATOM 718 CA VAL A 111 16.431 3.783 6.104 1.00 1.00 C ATOM 719 C VAL A 111 15.136 4.337 6.700 1.00 1.00 C ATOM 720 O VAL A 111 14.166 3.602 6.879 1.00 1.00 O ATOM 721 CB VAL A 111 16.274 3.327 4.652 1.00 1.00 C ATOM 722 CG1 VAL A 111 17.338 2.291 4.285 1.00 1.00 C ATOM 723 CG2 VAL A 111 14.868 2.782 4.397 1.00 1.00 C ATOM 0 H VAL A 111 16.165 2.129 7.362 1.00 1.00 H new ATOM 0 HA VAL A 111 17.159 4.594 6.099 1.00 1.00 H new ATOM 0 HB VAL A 111 16.417 4.197 4.011 1.00 1.00 H new ATOM 0 HG11 VAL A 111 17.204 1.984 3.248 1.00 1.00 H new ATOM 0 HG12 VAL A 111 18.329 2.728 4.409 1.00 1.00 H new ATOM 0 HG13 VAL A 111 17.240 1.423 4.936 1.00 1.00 H new ATOM 0 HG21 VAL A 111 14.784 2.465 3.358 1.00 1.00 H new ATOM 0 HG22 VAL A 111 14.683 1.931 5.052 1.00 1.00 H new ATOM 0 HG23 VAL A 111 14.133 3.561 4.599 1.00 1.00 H new ATOM 733 N PRO A 112 15.161 5.664 6.997 1.00 1.00 N ATOM 734 CA PRO A 112 14.001 6.326 7.569 1.00 1.00 C ATOM 735 C PRO A 112 12.920 6.549 6.509 1.00 1.00 C ATOM 736 O PRO A 112 13.228 6.797 5.345 1.00 1.00 O ATOM 737 CB PRO A 112 14.536 7.623 8.154 1.00 1.00 C ATOM 738 CG PRO A 112 15.880 7.858 7.485 1.00 1.00 C ATOM 739 CD PRO A 112 16.292 6.567 6.798 1.00 1.00 C ATOM 0 HA PRO A 112 13.513 5.729 8.340 1.00 1.00 H new ATOM 0 HB2 PRO A 112 13.853 8.450 7.960 1.00 1.00 H new ATOM 0 HB3 PRO A 112 14.646 7.548 9.236 1.00 1.00 H new ATOM 0 HG2 PRO A 112 15.809 8.670 6.761 1.00 1.00 H new ATOM 0 HG3 PRO A 112 16.627 8.153 8.222 1.00 1.00 H new ATOM 0 HD2 PRO A 112 16.489 6.728 5.738 1.00 1.00 H new ATOM 0 HD3 PRO A 112 17.205 6.160 7.233 1.00 1.00 H new ATOM 747 N SER A 113 11.674 6.453 6.952 1.00 1.00 N ATOM 748 CA SER A 113 10.546 6.641 6.056 1.00 1.00 C ATOM 749 C SER A 113 10.464 8.105 5.618 1.00 1.00 C ATOM 750 O SER A 113 9.828 8.422 4.614 1.00 1.00 O ATOM 751 CB SER A 113 9.237 6.213 6.722 1.00 1.00 C ATOM 752 OG SER A 113 9.305 6.304 8.142 1.00 1.00 O ATOM 0 H SER A 113 11.422 6.248 7.919 1.00 1.00 H new ATOM 0 HA SER A 113 10.698 6.013 5.178 1.00 1.00 H new ATOM 0 HB2 SER A 113 8.423 6.840 6.357 1.00 1.00 H new ATOM 0 HB3 SER A 113 9.003 5.188 6.435 1.00 1.00 H new ATOM 0 HG SER A 113 8.449 6.024 8.529 1.00 1.00 H new ATOM 758 N ASN A 114 11.116 8.959 6.393 1.00 1.00 N ATOM 759 CA ASN A 114 11.125 10.382 6.098 1.00 1.00 C ATOM 760 C ASN A 114 12.068 10.648 4.922 1.00 1.00 C ATOM 761 O ASN A 114 12.077 11.745 4.366 1.00 1.00 O ATOM 762 CB ASN A 114 11.625 11.190 7.297 1.00 1.00 C ATOM 763 CG ASN A 114 10.631 12.292 7.667 1.00 1.00 C ATOM 764 OD1 ASN A 114 9.887 12.196 8.630 1.00 1.00 O ATOM 765 ND2 ASN A 114 10.659 13.343 6.852 1.00 1.00 N ATOM 0 H ASN A 114 11.642 8.693 7.225 1.00 1.00 H new ATOM 0 HA ASN A 114 10.105 10.684 5.860 1.00 1.00 H new ATOM 0 HB2 ASN A 114 11.774 10.528 8.150 1.00 1.00 H new ATOM 0 HB3 ASN A 114 12.594 11.632 7.064 1.00 1.00 H new ATOM 0 HD21 ASN A 114 10.033 14.132 7.015 1.00 1.00 H new ATOM 0 HD22 ASN A 114 11.306 13.360 6.064 1.00 1.00 H new ATOM 772 N TYR A 115 12.838 9.626 4.579 1.00 1.00 N ATOM 773 CA TYR A 115 13.782 9.736 3.480 1.00 1.00 C ATOM 774 C TYR A 115 13.281 8.978 2.249 1.00 1.00 C ATOM 775 O TYR A 115 13.847 9.105 1.165 1.00 1.00 O ATOM 776 CB TYR A 115 15.078 9.089 3.971 1.00 1.00 C ATOM 777 CG TYR A 115 16.021 10.053 4.693 1.00 1.00 C ATOM 778 CD1 TYR A 115 15.566 10.790 5.767 1.00 1.00 C ATOM 779 CD2 TYR A 115 17.329 10.186 4.269 1.00 1.00 C ATOM 780 CE1 TYR A 115 16.454 11.698 6.446 1.00 1.00 C ATOM 781 CE2 TYR A 115 18.216 11.094 4.949 1.00 1.00 C ATOM 782 CZ TYR A 115 17.735 11.805 6.003 1.00 1.00 C ATOM 783 OH TYR A 115 18.574 12.662 6.645 1.00 1.00 O ATOM 0 H TYR A 115 12.827 8.718 5.043 1.00 1.00 H new ATOM 0 HA TYR A 115 13.918 10.779 3.194 1.00 1.00 H new ATOM 0 HB2 TYR A 115 14.830 8.268 4.644 1.00 1.00 H new ATOM 0 HB3 TYR A 115 15.601 8.656 3.119 1.00 1.00 H new ATOM 0 HD1 TYR A 115 14.543 10.686 6.099 1.00 1.00 H new ATOM 0 HD2 TYR A 115 17.686 9.610 3.428 1.00 1.00 H new ATOM 0 HE1 TYR A 115 16.110 12.281 7.288 1.00 1.00 H new ATOM 0 HE2 TYR A 115 19.241 11.208 4.629 1.00 1.00 H new ATOM 0 HH TYR A 115 19.457 12.634 6.221 1.00 1.00 H new ATOM 793 N ILE A 116 12.225 8.206 2.458 1.00 1.00 N ATOM 794 CA ILE A 116 11.641 7.428 1.379 1.00 1.00 C ATOM 795 C ILE A 116 10.140 7.712 1.305 1.00 1.00 C ATOM 796 O ILE A 116 9.486 7.888 2.332 1.00 1.00 O ATOM 797 CB ILE A 116 11.979 5.945 1.546 1.00 1.00 C ATOM 798 CG1 ILE A 116 13.493 5.727 1.582 1.00 1.00 C ATOM 799 CG2 ILE A 116 11.305 5.104 0.459 1.00 1.00 C ATOM 800 CD1 ILE A 116 13.899 4.902 2.805 1.00 1.00 C ATOM 0 H ILE A 116 11.758 8.103 3.359 1.00 1.00 H new ATOM 0 HA ILE A 116 12.069 7.724 0.421 1.00 1.00 H new ATOM 0 HB ILE A 116 11.583 5.611 2.505 1.00 1.00 H new ATOM 0 HG12 ILE A 116 13.812 5.218 0.673 1.00 1.00 H new ATOM 0 HG13 ILE A 116 14.002 6.690 1.603 1.00 1.00 H new ATOM 0 HG21 ILE A 116 11.561 4.054 0.600 1.00 1.00 H new ATOM 0 HG22 ILE A 116 10.224 5.226 0.523 1.00 1.00 H new ATOM 0 HG23 ILE A 116 11.650 5.433 -0.521 1.00 1.00 H new ATOM 0 HD11 ILE A 116 14.980 4.762 2.807 1.00 1.00 H new ATOM 0 HD12 ILE A 116 13.600 5.426 3.713 1.00 1.00 H new ATOM 0 HD13 ILE A 116 13.407 3.930 2.768 1.00 1.00 H new ATOM 812 N THR A 117 9.637 7.749 0.080 1.00 1.00 N ATOM 813 CA THR A 117 8.225 8.010 -0.142 1.00 1.00 C ATOM 814 C THR A 117 7.592 6.870 -0.943 1.00 1.00 C ATOM 815 O THR A 117 8.293 6.109 -1.607 1.00 1.00 O ATOM 816 CB THR A 117 8.097 9.374 -0.823 1.00 1.00 C ATOM 817 OG1 THR A 117 7.043 9.195 -1.765 1.00 1.00 O ATOM 818 CG2 THR A 117 9.314 9.715 -1.686 1.00 1.00 C ATOM 0 H THR A 117 10.182 7.603 -0.769 1.00 1.00 H new ATOM 0 HA THR A 117 7.677 8.048 0.800 1.00 1.00 H new ATOM 0 HB THR A 117 7.962 10.146 -0.065 1.00 1.00 H new ATOM 0 HG1 THR A 117 6.892 10.033 -2.250 1.00 1.00 H new ATOM 0 HG21 THR A 117 9.171 10.693 -2.146 1.00 1.00 H new ATOM 0 HG22 THR A 117 10.208 9.734 -1.063 1.00 1.00 H new ATOM 0 HG23 THR A 117 9.431 8.961 -2.465 1.00 1.00 H new ATOM 826 N PRO A 118 6.238 6.786 -0.850 1.00 1.00 N ATOM 827 CA PRO A 118 5.502 5.752 -1.558 1.00 1.00 C ATOM 828 C PRO A 118 5.415 6.066 -3.053 1.00 1.00 C ATOM 829 O PRO A 118 5.746 7.171 -3.479 1.00 1.00 O ATOM 830 CB PRO A 118 4.142 5.704 -0.881 1.00 1.00 C ATOM 831 CG PRO A 118 4.002 7.019 -0.133 1.00 1.00 C ATOM 832 CD PRO A 118 5.374 7.670 -0.073 1.00 1.00 C ATOM 0 HA PRO A 118 5.991 4.779 -1.509 1.00 1.00 H new ATOM 0 HB2 PRO A 118 3.345 5.585 -1.615 1.00 1.00 H new ATOM 0 HB3 PRO A 118 4.075 4.857 -0.198 1.00 1.00 H new ATOM 0 HG2 PRO A 118 3.291 7.672 -0.639 1.00 1.00 H new ATOM 0 HG3 PRO A 118 3.617 6.847 0.872 1.00 1.00 H new ATOM 0 HD2 PRO A 118 5.354 8.675 -0.494 1.00 1.00 H new ATOM 0 HD3 PRO A 118 5.724 7.762 0.955 1.00 1.00 H new ATOM 840 N VAL A 119 4.968 5.073 -3.808 1.00 1.00 N ATOM 841 CA VAL A 119 4.834 5.230 -5.247 1.00 1.00 C ATOM 842 C VAL A 119 3.498 5.907 -5.559 1.00 1.00 C ATOM 843 O VAL A 119 3.134 6.063 -6.723 1.00 1.00 O ATOM 844 CB VAL A 119 4.992 3.874 -5.938 1.00 1.00 C ATOM 845 CG1 VAL A 119 4.812 4.005 -7.451 1.00 1.00 C ATOM 846 CG2 VAL A 119 6.344 3.241 -5.600 1.00 1.00 C ATOM 0 H VAL A 119 4.694 4.158 -3.451 1.00 1.00 H new ATOM 0 HA VAL A 119 5.624 5.873 -5.636 1.00 1.00 H new ATOM 0 HB VAL A 119 4.209 3.214 -5.564 1.00 1.00 H new ATOM 0 HG11 VAL A 119 4.929 3.027 -7.917 1.00 1.00 H new ATOM 0 HG12 VAL A 119 3.816 4.393 -7.667 1.00 1.00 H new ATOM 0 HG13 VAL A 119 5.562 4.689 -7.849 1.00 1.00 H new ATOM 0 HG21 VAL A 119 6.431 2.278 -6.104 1.00 1.00 H new ATOM 0 HG22 VAL A 119 7.147 3.899 -5.933 1.00 1.00 H new ATOM 0 HG23 VAL A 119 6.418 3.095 -4.522 1.00 1.00 H new ATOM 856 N SER A 120 2.804 6.292 -4.498 1.00 1.00 N ATOM 857 CA SER A 120 1.516 6.949 -4.644 1.00 1.00 C ATOM 858 C SER A 120 1.295 7.931 -3.491 1.00 1.00 C ATOM 859 O SER A 120 0.569 7.546 -2.550 1.00 1.00 O ATOM 860 CB SER A 120 0.379 5.927 -4.696 1.00 1.00 C ATOM 861 OG SER A 120 -0.846 6.512 -5.129 1.00 1.00 O ATOM 862 OXT SER A 120 1.819 9.043 -3.510 1.00 1.00 O ATOM 0 H SER A 120 3.109 6.162 -3.534 1.00 1.00 H new ATOM 0 HA SER A 120 1.518 7.499 -5.585 1.00 1.00 H new ATOM 0 HB2 SER A 120 0.652 5.116 -5.371 1.00 1.00 H new ATOM 0 HB3 SER A 120 0.241 5.487 -3.708 1.00 1.00 H new ATOM 0 HG SER A 120 -1.546 5.827 -5.150 1.00 1.00 H new