USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 762 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 80 SER OG : rot 180:sc= -0.101 USER MOD Set 1.2: A 117 THR OG1 : rot 180:sc= -2.11! USER MOD Single : A 8 SER OG : rot 24:sc= 0.78 USER MOD Single : A 14 LYS NZ :NH3+ -119:sc= 1.28 (180deg=0.0655) USER MOD Single : A 16 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.64) USER MOD Single : A 18 ASN : amide:sc= -0.0702 K(o=-0.07,f=-0.69) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.115 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 176:sc= 1.16 (180deg=1.12) USER MOD Single : A 81 ASN :FLIP amide:sc= -3.12! C(o=-4.6!,f=-3.1!) USER MOD Single : A 87 SER OG : rot 77:sc= 1.29 USER MOD Single : A 92 GLN : amide:sc= -0.214 K(o=-0.21,f=-3.6!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 102 LYS NZ :NH3+ 136:sc= 2.32 (180deg=-0.311) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -160:sc= -0.916 USER MOD Single : A 114 SER OG : rot -71:sc= 0.312 USER MOD Single : A 121 HIS : no HE2:sc= 0.686 K(o=0.69,f=-4!) USER MOD Single : A 130 LYS NZ :NH3+ -150:sc= 1.6 (180deg=1.1) USER MOD Single : A 132 MET CE :methyl 149:sc= -0.525 (180deg=-1.57) USER MOD Single : A 133 LYS NZ :NH3+ 151:sc= -0.348 (180deg=-1.13!) USER MOD Single : A 134 GLN : amide:sc= -0.858! C(o=-0.86!,f=-0.87!) USER MOD Single : A 135 TYR OH : rot -133:sc= -0.174 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 148 GLN : amide:sc= 0.588 K(o=0.59,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 8 -14.869 23.687 -68.690 1.00 17.93 N ATOM 109 CA SER A 8 -14.182 24.862 -68.186 1.00 18.07 C ATOM 110 C SER A 8 -13.825 24.689 -66.710 1.00 17.91 C ATOM 111 O SER A 8 -14.623 24.999 -65.824 1.00 17.61 O ATOM 112 CB SER A 8 -15.069 26.089 -68.390 1.00 18.00 C ATOM 113 OG SER A 8 -16.079 25.823 -69.350 1.00 17.96 O ATOM 0 HA SER A 8 -13.251 24.998 -68.736 1.00 18.07 H new ATOM 0 HB2 SER A 8 -15.527 26.375 -67.443 1.00 18.00 H new ATOM 0 HB3 SER A 8 -14.462 26.933 -68.718 1.00 18.00 H new ATOM 0 HG SER A 8 -16.246 24.858 -69.391 1.00 17.96 H new ATOM 119 N LEU A 9 -12.624 24.179 -66.452 1.00 18.20 N ATOM 120 CA LEU A 9 -12.159 23.978 -65.084 1.00 18.26 C ATOM 121 C LEU A 9 -11.763 25.308 -64.457 1.00 18.43 C ATOM 122 O LEU A 9 -11.865 25.486 -63.244 1.00 18.25 O ATOM 123 CB LEU A 9 -10.978 23.007 -65.048 1.00 18.77 C ATOM 124 CG LEU A 9 -11.028 21.974 -63.921 1.00 18.82 C ATOM 125 CD1 LEU A 9 -10.991 20.564 -64.489 1.00 19.04 C ATOM 126 CD2 LEU A 9 -9.877 22.192 -62.949 1.00 18.92 C ATOM 0 H LEU A 9 -11.957 23.898 -67.171 1.00 18.20 H new ATOM 0 HA LEU A 9 -12.977 23.546 -64.508 1.00 18.26 H new ATOM 0 HB2 LEU A 9 -10.930 22.481 -66.001 1.00 18.77 H new ATOM 0 HB3 LEU A 9 -10.057 23.582 -64.954 1.00 18.77 H new ATOM 0 HG LEU A 9 -11.965 22.099 -63.378 1.00 18.82 H new ATOM 0 HD11 LEU A 9 -11.027 19.842 -63.673 1.00 19.04 H new ATOM 0 HD12 LEU A 9 -11.848 20.413 -65.145 1.00 19.04 H new ATOM 0 HD13 LEU A 9 -10.071 20.424 -65.056 1.00 19.04 H new ATOM 0 HD21 LEU A 9 -9.927 21.449 -62.153 1.00 18.92 H new ATOM 0 HD22 LEU A 9 -8.930 22.093 -63.479 1.00 18.92 H new ATOM 0 HD23 LEU A 9 -9.949 23.191 -62.518 1.00 18.92 H new ATOM 138 N ASP A 10 -11.309 26.236 -65.295 1.00 18.85 N ATOM 139 CA ASP A 10 -10.986 27.590 -64.849 1.00 19.17 C ATOM 140 C ASP A 10 -12.199 28.226 -64.172 1.00 18.74 C ATOM 141 O ASP A 10 -12.074 28.896 -63.144 1.00 18.78 O ATOM 142 CB ASP A 10 -10.524 28.441 -66.039 1.00 19.78 C ATOM 143 CG ASP A 10 -10.818 29.921 -65.863 1.00 19.90 C ATOM 144 OD1 ASP A 10 -10.056 30.605 -65.149 1.00 20.27 O ATOM 145 OD2 ASP A 10 -11.805 30.408 -66.454 1.00 19.72 O ATOM 0 H ASP A 10 -11.156 26.075 -66.290 1.00 18.85 H new ATOM 0 HA ASP A 10 -10.174 27.539 -64.124 1.00 19.17 H new ATOM 0 HB2 ASP A 10 -9.452 28.304 -66.182 1.00 19.78 H new ATOM 0 HB3 ASP A 10 -11.014 28.085 -66.945 1.00 19.78 H new ATOM 150 N ASP A 11 -13.372 27.991 -64.753 1.00 18.38 N ATOM 151 CA ASP A 11 -14.629 28.455 -64.175 1.00 18.04 C ATOM 152 C ASP A 11 -14.819 27.863 -62.785 1.00 17.56 C ATOM 153 O ASP A 11 -15.173 28.574 -61.844 1.00 17.42 O ATOM 154 CB ASP A 11 -15.806 28.070 -65.074 1.00 17.93 C ATOM 155 CG ASP A 11 -17.123 28.006 -64.324 1.00 17.97 C ATOM 156 OD1 ASP A 11 -17.698 29.077 -64.024 1.00 17.99 O ATOM 157 OD2 ASP A 11 -17.593 26.886 -64.040 1.00 18.05 O ATOM 0 H ASP A 11 -13.478 27.479 -65.629 1.00 18.38 H new ATOM 0 HA ASP A 11 -14.592 29.541 -64.095 1.00 18.04 H new ATOM 0 HB2 ASP A 11 -15.890 28.794 -65.885 1.00 17.93 H new ATOM 0 HB3 ASP A 11 -15.606 27.101 -65.531 1.00 17.93 H new ATOM 162 N ILE A 12 -14.564 26.563 -62.665 1.00 17.40 N ATOM 163 CA ILE A 12 -14.657 25.876 -61.382 1.00 17.12 C ATOM 164 C ILE A 12 -13.761 26.545 -60.361 1.00 17.38 C ATOM 165 O ILE A 12 -14.187 26.830 -59.252 1.00 17.18 O ATOM 166 CB ILE A 12 -14.238 24.401 -61.475 1.00 17.14 C ATOM 167 CG1 ILE A 12 -15.075 23.663 -62.517 1.00 16.99 C ATOM 168 CG2 ILE A 12 -14.362 23.731 -60.109 1.00 17.02 C ATOM 169 CD1 ILE A 12 -14.544 22.287 -62.847 1.00 17.20 C ATOM 0 H ILE A 12 -14.291 25.963 -63.444 1.00 17.40 H new ATOM 0 HA ILE A 12 -15.704 25.929 -61.082 1.00 17.12 H new ATOM 0 HB ILE A 12 -13.196 24.357 -61.790 1.00 17.14 H new ATOM 0 HG12 ILE A 12 -16.098 23.572 -62.152 1.00 16.99 H new ATOM 0 HG13 ILE A 12 -15.114 24.258 -63.429 1.00 16.99 H new ATOM 0 HG21 ILE A 12 -14.062 22.686 -60.188 1.00 17.02 H new ATOM 0 HG22 ILE A 12 -13.716 24.241 -59.394 1.00 17.02 H new ATOM 0 HG23 ILE A 12 -15.396 23.787 -59.769 1.00 17.02 H new ATOM 0 HD11 ILE A 12 -15.186 21.819 -63.593 1.00 17.20 H new ATOM 0 HD12 ILE A 12 -13.531 22.373 -63.241 1.00 17.20 H new ATOM 0 HD13 ILE A 12 -14.531 21.676 -61.945 1.00 17.20 H new ATOM 181 N ILE A 13 -12.513 26.775 -60.745 1.00 17.90 N ATOM 182 CA ILE A 13 -11.548 27.430 -59.867 1.00 18.37 C ATOM 183 C ILE A 13 -12.137 28.699 -59.263 1.00 18.32 C ATOM 184 O ILE A 13 -12.121 28.880 -58.048 1.00 18.33 O ATOM 185 CB ILE A 13 -10.245 27.791 -60.607 1.00 19.08 C ATOM 186 CG1 ILE A 13 -9.615 26.544 -61.225 1.00 19.19 C ATOM 187 CG2 ILE A 13 -9.266 28.464 -59.654 1.00 19.74 C ATOM 188 CD1 ILE A 13 -8.533 26.857 -62.235 1.00 19.76 C ATOM 0 H ILE A 13 -12.143 26.518 -61.660 1.00 17.90 H new ATOM 0 HA ILE A 13 -11.315 26.717 -59.077 1.00 18.37 H new ATOM 0 HB ILE A 13 -10.485 28.488 -61.410 1.00 19.08 H new ATOM 0 HG12 ILE A 13 -9.194 25.927 -60.431 1.00 19.19 H new ATOM 0 HG13 ILE A 13 -10.394 25.954 -61.708 1.00 19.19 H new ATOM 0 HG21 ILE A 13 -8.350 28.714 -60.190 1.00 19.74 H new ATOM 0 HG22 ILE A 13 -9.713 29.375 -59.256 1.00 19.74 H new ATOM 0 HG23 ILE A 13 -9.033 27.786 -58.833 1.00 19.74 H new ATOM 0 HD11 ILE A 13 -8.128 25.927 -62.635 1.00 19.76 H new ATOM 0 HD12 ILE A 13 -8.954 27.448 -63.048 1.00 19.76 H new ATOM 0 HD13 ILE A 13 -7.736 27.421 -61.751 1.00 19.76 H new ATOM 200 N LYS A 14 -12.686 29.553 -60.109 1.00 18.34 N ATOM 201 CA LYS A 14 -13.254 30.815 -59.656 1.00 18.38 C ATOM 202 C LYS A 14 -14.520 30.585 -58.835 1.00 17.73 C ATOM 203 O LYS A 14 -14.663 31.125 -57.737 1.00 17.76 O ATOM 204 CB LYS A 14 -13.559 31.716 -60.850 1.00 18.59 C ATOM 205 CG LYS A 14 -12.424 31.785 -61.857 1.00 19.27 C ATOM 206 CD LYS A 14 -11.285 32.656 -61.358 1.00 19.91 C ATOM 207 CE LYS A 14 -9.944 32.173 -61.886 1.00 20.52 C ATOM 208 NZ LYS A 14 -9.755 32.512 -63.321 1.00 21.03 N ATOM 0 H LYS A 14 -12.752 29.397 -61.115 1.00 18.34 H new ATOM 0 HA LYS A 14 -12.519 31.306 -59.018 1.00 18.38 H new ATOM 0 HB2 LYS A 14 -14.457 31.353 -61.350 1.00 18.59 H new ATOM 0 HB3 LYS A 14 -13.778 32.721 -60.491 1.00 18.59 H new ATOM 0 HG2 LYS A 14 -12.053 30.780 -62.057 1.00 19.27 H new ATOM 0 HG3 LYS A 14 -12.798 32.181 -62.801 1.00 19.27 H new ATOM 0 HD2 LYS A 14 -11.450 33.687 -61.670 1.00 19.91 H new ATOM 0 HD3 LYS A 14 -11.272 32.651 -60.268 1.00 19.91 H new ATOM 0 HE2 LYS A 14 -9.141 32.620 -61.299 1.00 20.52 H new ATOM 0 HE3 LYS A 14 -9.871 31.093 -61.756 1.00 20.52 H new ATOM 0 HZ1 LYS A 14 -9.640 31.638 -63.872 1.00 21.03 H new ATOM 0 HZ2 LYS A 14 -10.586 33.033 -63.667 1.00 21.03 H new ATOM 0 HZ3 LYS A 14 -8.906 33.103 -63.429 1.00 21.03 H new ATOM 222 N LEU A 15 -15.420 29.763 -59.356 1.00 17.23 N ATOM 223 CA LEU A 15 -16.702 29.520 -58.709 1.00 16.69 C ATOM 224 C LEU A 15 -16.527 28.806 -57.370 1.00 16.61 C ATOM 225 O LEU A 15 -17.126 29.199 -56.373 1.00 16.40 O ATOM 226 CB LEU A 15 -17.616 28.696 -59.618 1.00 16.34 C ATOM 227 CG LEU A 15 -19.112 28.831 -59.324 1.00 16.28 C ATOM 228 CD1 LEU A 15 -19.900 28.961 -60.616 1.00 16.26 C ATOM 229 CD2 LEU A 15 -19.609 27.643 -58.516 1.00 16.28 C ATOM 0 H LEU A 15 -15.285 29.251 -60.228 1.00 17.23 H new ATOM 0 HA LEU A 15 -17.162 30.491 -58.522 1.00 16.69 H new ATOM 0 HB2 LEU A 15 -17.436 28.990 -60.652 1.00 16.34 H new ATOM 0 HB3 LEU A 15 -17.337 27.646 -59.532 1.00 16.34 H new ATOM 0 HG LEU A 15 -19.264 29.735 -58.734 1.00 16.28 H new ATOM 0 HD11 LEU A 15 -20.961 29.056 -60.387 1.00 16.26 H new ATOM 0 HD12 LEU A 15 -19.565 29.845 -61.159 1.00 16.26 H new ATOM 0 HD13 LEU A 15 -19.739 28.075 -61.231 1.00 16.26 H new ATOM 0 HD21 LEU A 15 -20.675 27.758 -58.318 1.00 16.28 H new ATOM 0 HD22 LEU A 15 -19.442 26.725 -59.079 1.00 16.28 H new ATOM 0 HD23 LEU A 15 -19.067 27.593 -57.571 1.00 16.28 H new ATOM 241 N ASN A 16 -15.701 27.770 -57.355 1.00 16.87 N ATOM 242 CA ASN A 16 -15.517 26.949 -56.163 1.00 17.01 C ATOM 243 C ASN A 16 -14.724 27.689 -55.086 1.00 17.40 C ATOM 244 O ASN A 16 -14.955 27.490 -53.893 1.00 17.38 O ATOM 245 CB ASN A 16 -14.853 25.605 -56.518 1.00 17.36 C ATOM 246 CG ASN A 16 -13.356 25.553 -56.254 1.00 17.34 C ATOM 247 OD1 ASN A 16 -12.911 25.329 -55.127 1.00 17.60 O ATOM 248 ND2 ASN A 16 -12.573 25.745 -57.299 1.00 17.15 N ATOM 0 H ASN A 16 -15.145 27.476 -58.158 1.00 16.87 H new ATOM 0 HA ASN A 16 -16.505 26.740 -55.752 1.00 17.01 H new ATOM 0 HB2 ASN A 16 -15.338 24.813 -55.948 1.00 17.36 H new ATOM 0 HB3 ASN A 16 -15.031 25.393 -57.572 1.00 17.36 H new ATOM 0 HD21 ASN A 16 -11.559 25.711 -57.190 1.00 17.15 H new ATOM 0 HD22 ASN A 16 -12.981 25.928 -58.216 1.00 17.15 H new ATOM 255 N ARG A 17 -13.800 28.554 -55.498 1.00 17.84 N ATOM 256 CA ARG A 17 -13.008 29.316 -54.537 1.00 18.36 C ATOM 257 C ARG A 17 -13.843 30.440 -53.935 1.00 18.04 C ATOM 258 O ARG A 17 -13.659 30.813 -52.777 1.00 18.25 O ATOM 259 CB ARG A 17 -11.722 29.859 -55.179 1.00 19.06 C ATOM 260 CG ARG A 17 -11.887 31.169 -55.939 1.00 19.37 C ATOM 261 CD ARG A 17 -10.638 31.499 -56.743 1.00 19.91 C ATOM 262 NE ARG A 17 -9.467 31.662 -55.880 1.00 20.74 N ATOM 263 CZ ARG A 17 -8.585 32.654 -55.982 1.00 21.41 C ATOM 264 NH1 ARG A 17 -8.751 33.615 -56.882 1.00 21.38 N ATOM 265 NH2 ARG A 17 -7.534 32.688 -55.172 1.00 22.20 N ATOM 0 H ARG A 17 -13.583 28.743 -56.477 1.00 17.84 H new ATOM 0 HA ARG A 17 -12.709 28.644 -53.733 1.00 18.36 H new ATOM 0 HB2 ARG A 17 -10.975 30.001 -54.398 1.00 19.06 H new ATOM 0 HB3 ARG A 17 -11.329 29.106 -55.863 1.00 19.06 H new ATOM 0 HG2 ARG A 17 -12.745 31.099 -56.607 1.00 19.37 H new ATOM 0 HG3 ARG A 17 -12.095 31.976 -55.237 1.00 19.37 H new ATOM 0 HD2 ARG A 17 -10.450 30.705 -57.466 1.00 19.91 H new ATOM 0 HD3 ARG A 17 -10.802 32.415 -57.311 1.00 19.91 H new ATOM 0 HE ARG A 17 -9.316 30.967 -55.149 1.00 20.74 H new ATOM 0 HH11 ARG A 17 -9.560 33.598 -57.503 1.00 21.38 H new ATOM 0 HH12 ARG A 17 -8.070 34.371 -56.953 1.00 21.38 H new ATOM 0 HH21 ARG A 17 -7.404 31.956 -54.474 1.00 22.20 H new ATOM 0 HH22 ARG A 17 -6.856 33.447 -55.247 1.00 22.20 H new ATOM 279 N ASN A 18 -14.785 30.949 -54.717 1.00 17.62 N ATOM 280 CA ASN A 18 -15.680 32.000 -54.256 1.00 17.37 C ATOM 281 C ASN A 18 -17.078 31.432 -54.037 1.00 16.66 C ATOM 282 O ASN A 18 -18.083 32.090 -54.305 1.00 16.34 O ATOM 283 CB ASN A 18 -15.725 33.146 -55.274 1.00 17.47 C ATOM 284 CG ASN A 18 -16.264 34.436 -54.680 1.00 17.64 C ATOM 285 OD1 ASN A 18 -15.926 34.807 -53.557 1.00 17.99 O ATOM 286 ND2 ASN A 18 -17.103 35.130 -55.433 1.00 17.50 N ATOM 0 H ASN A 18 -14.949 30.649 -55.678 1.00 17.62 H new ATOM 0 HA ASN A 18 -15.306 32.392 -53.310 1.00 17.37 H new ATOM 0 HB2 ASN A 18 -14.722 33.321 -55.663 1.00 17.47 H new ATOM 0 HB3 ASN A 18 -16.347 32.852 -56.119 1.00 17.47 H new ATOM 0 HD21 ASN A 18 -17.494 36.006 -55.087 1.00 17.50 H new ATOM 0 HD22 ASN A 18 -17.359 34.788 -56.359 1.00 17.50 H new ATOM 700 N ALA A 44 -23.274 31.460 -18.472 1.00 11.18 N ATOM 701 CA ALA A 44 -23.577 32.787 -17.951 1.00 10.95 C ATOM 702 C ALA A 44 -24.732 32.748 -16.954 1.00 11.14 C ATOM 703 O ALA A 44 -25.845 32.359 -17.307 1.00 11.37 O ATOM 704 CB ALA A 44 -23.910 33.731 -19.096 1.00 10.91 C ATOM 0 HA ALA A 44 -22.694 33.150 -17.425 1.00 10.95 H new ATOM 0 HB1 ALA A 44 -24.135 34.720 -18.698 1.00 10.91 H new ATOM 0 HB2 ALA A 44 -23.058 33.797 -19.772 1.00 10.91 H new ATOM 0 HB3 ALA A 44 -24.776 33.353 -19.639 1.00 10.91 H new ATOM 710 N PRO A 45 -24.469 33.133 -15.696 1.00 11.20 N ATOM 711 CA PRO A 45 -25.507 33.258 -14.668 1.00 11.61 C ATOM 712 C PRO A 45 -26.626 34.196 -15.110 1.00 11.90 C ATOM 713 O PRO A 45 -27.754 33.766 -15.360 1.00 12.39 O ATOM 714 CB PRO A 45 -24.752 33.856 -13.477 1.00 11.62 C ATOM 715 CG PRO A 45 -23.338 33.456 -13.686 1.00 11.27 C ATOM 716 CD PRO A 45 -23.132 33.454 -15.171 1.00 11.04 C ATOM 0 HA PRO A 45 -25.990 32.306 -14.447 1.00 11.61 H new ATOM 0 HB2 PRO A 45 -24.856 34.941 -13.447 1.00 11.62 H new ATOM 0 HB3 PRO A 45 -25.136 33.472 -12.532 1.00 11.62 H new ATOM 0 HG2 PRO A 45 -22.658 34.153 -13.197 1.00 11.27 H new ATOM 0 HG3 PRO A 45 -23.143 32.471 -13.262 1.00 11.27 H new ATOM 0 HD2 PRO A 45 -22.780 34.421 -15.530 1.00 11.04 H new ATOM 0 HD3 PRO A 45 -22.392 32.713 -15.474 1.00 11.04 H new ATOM 724 N TYR A 46 -26.293 35.478 -15.209 1.00 11.78 N ATOM 725 CA TYR A 46 -27.213 36.489 -15.706 1.00 12.25 C ATOM 726 C TYR A 46 -26.442 37.754 -16.053 1.00 12.17 C ATOM 727 O TYR A 46 -26.541 38.272 -17.166 1.00 12.24 O ATOM 728 CB TYR A 46 -28.301 36.802 -14.671 1.00 12.71 C ATOM 729 CG TYR A 46 -29.690 36.883 -15.264 1.00 13.40 C ATOM 730 CD1 TYR A 46 -30.336 35.741 -15.724 1.00 13.96 C ATOM 731 CD2 TYR A 46 -30.349 38.098 -15.370 1.00 13.66 C ATOM 732 CE1 TYR A 46 -31.603 35.812 -16.273 1.00 14.73 C ATOM 733 CE2 TYR A 46 -31.615 38.177 -15.917 1.00 14.45 C ATOM 734 CZ TYR A 46 -32.238 37.031 -16.366 1.00 14.98 C ATOM 735 OH TYR A 46 -33.499 37.105 -16.914 1.00 15.86 O ATOM 0 H TYR A 46 -25.378 35.844 -14.947 1.00 11.78 H new ATOM 0 HA TYR A 46 -27.701 36.103 -16.601 1.00 12.25 H new ATOM 0 HB2 TYR A 46 -28.288 36.033 -13.898 1.00 12.71 H new ATOM 0 HB3 TYR A 46 -28.067 37.748 -14.183 1.00 12.71 H new ATOM 0 HD1 TYR A 46 -29.841 34.784 -15.651 1.00 13.96 H new ATOM 0 HD2 TYR A 46 -29.865 38.997 -15.019 1.00 13.66 H new ATOM 0 HE1 TYR A 46 -32.092 34.917 -16.627 1.00 14.73 H new ATOM 0 HE2 TYR A 46 -32.115 39.131 -15.993 1.00 14.45 H new ATOM 0 HH TYR A 46 -33.806 38.036 -16.905 1.00 15.86 H new ATOM 745 N SER A 47 -25.661 38.238 -15.095 1.00 12.21 N ATOM 746 CA SER A 47 -24.809 39.394 -15.313 1.00 12.38 C ATOM 747 C SER A 47 -23.675 39.049 -16.278 1.00 11.92 C ATOM 748 O SER A 47 -23.606 39.582 -17.386 1.00 11.98 O ATOM 749 CB SER A 47 -24.244 39.869 -13.977 1.00 12.96 C ATOM 750 OG SER A 47 -24.553 38.941 -12.951 1.00 13.21 O ATOM 0 H SER A 47 -25.602 37.844 -14.156 1.00 12.21 H new ATOM 0 HA SER A 47 -25.401 40.194 -15.757 1.00 12.38 H new ATOM 0 HB2 SER A 47 -23.163 39.989 -14.054 1.00 12.96 H new ATOM 0 HB3 SER A 47 -24.656 40.847 -13.728 1.00 12.96 H new ATOM 0 HG SER A 47 -24.183 39.258 -12.101 1.00 13.21 H new ATOM 756 N ARG A 48 -22.797 38.146 -15.857 1.00 11.60 N ATOM 757 CA ARG A 48 -21.694 37.703 -16.698 1.00 11.33 C ATOM 758 C ARG A 48 -21.217 36.316 -16.275 1.00 10.91 C ATOM 759 O ARG A 48 -21.319 35.952 -15.103 1.00 10.95 O ATOM 760 CB ARG A 48 -20.536 38.709 -16.638 1.00 11.76 C ATOM 761 CG ARG A 48 -19.609 38.530 -15.448 1.00 12.38 C ATOM 762 CD ARG A 48 -18.312 39.292 -15.643 1.00 12.85 C ATOM 763 NE ARG A 48 -17.166 38.591 -15.068 1.00 12.95 N ATOM 764 CZ ARG A 48 -16.487 39.025 -14.006 1.00 13.65 C ATOM 765 NH1 ARG A 48 -16.867 40.131 -13.377 1.00 14.27 N ATOM 766 NH2 ARG A 48 -15.426 38.352 -13.576 1.00 13.88 N ATOM 0 H ARG A 48 -22.829 37.707 -14.937 1.00 11.60 H new ATOM 0 HA ARG A 48 -22.050 37.644 -17.727 1.00 11.33 H new ATOM 0 HB2 ARG A 48 -19.951 38.626 -17.554 1.00 11.76 H new ATOM 0 HB3 ARG A 48 -20.948 39.718 -16.613 1.00 11.76 H new ATOM 0 HG2 ARG A 48 -20.105 38.877 -14.542 1.00 12.38 H new ATOM 0 HG3 ARG A 48 -19.394 37.471 -15.307 1.00 12.38 H new ATOM 0 HD2 ARG A 48 -18.142 39.449 -16.708 1.00 12.85 H new ATOM 0 HD3 ARG A 48 -18.400 40.277 -15.185 1.00 12.85 H new ATOM 0 HE ARG A 48 -16.868 37.719 -15.505 1.00 12.95 H new ATOM 0 HH11 ARG A 48 -17.680 40.651 -13.706 1.00 14.27 H new ATOM 0 HH12 ARG A 48 -16.345 40.461 -12.565 1.00 14.27 H new ATOM 0 HH21 ARG A 48 -15.131 37.503 -14.058 1.00 13.88 H new ATOM 0 HH22 ARG A 48 -14.906 38.684 -12.763 1.00 13.88 H new ATOM 780 N PRO A 49 -20.739 35.514 -17.238 1.00 10.69 N ATOM 781 CA PRO A 49 -20.145 34.201 -16.965 1.00 10.51 C ATOM 782 C PRO A 49 -19.024 34.270 -15.934 1.00 10.52 C ATOM 783 O PRO A 49 -18.236 35.218 -15.911 1.00 10.80 O ATOM 784 CB PRO A 49 -19.584 33.769 -18.319 1.00 10.63 C ATOM 785 CG PRO A 49 -20.390 34.512 -19.323 1.00 10.68 C ATOM 786 CD PRO A 49 -20.770 35.814 -18.678 1.00 10.80 C ATOM 0 HA PRO A 49 -20.878 33.510 -16.549 1.00 10.51 H new ATOM 0 HB2 PRO A 49 -18.525 34.013 -18.404 1.00 10.63 H new ATOM 0 HB3 PRO A 49 -19.675 32.692 -18.459 1.00 10.63 H new ATOM 0 HG2 PRO A 49 -19.816 34.682 -20.234 1.00 10.68 H new ATOM 0 HG3 PRO A 49 -21.277 33.945 -19.606 1.00 10.68 H new ATOM 0 HD2 PRO A 49 -20.069 36.608 -18.936 1.00 10.80 H new ATOM 0 HD3 PRO A 49 -21.758 36.145 -18.997 1.00 10.80 H new ATOM 794 N LYS A 50 -18.962 33.256 -15.088 1.00 10.36 N ATOM 795 CA LYS A 50 -17.955 33.187 -14.042 1.00 10.37 C ATOM 796 C LYS A 50 -17.069 31.964 -14.248 1.00 10.32 C ATOM 797 O LYS A 50 -17.445 30.846 -13.895 1.00 10.35 O ATOM 798 CB LYS A 50 -18.619 33.133 -12.662 1.00 10.47 C ATOM 799 CG LYS A 50 -20.055 32.634 -12.694 1.00 10.65 C ATOM 800 CD LYS A 50 -20.442 31.953 -11.394 1.00 10.86 C ATOM 801 CE LYS A 50 -19.975 30.507 -11.357 1.00 11.05 C ATOM 802 NZ LYS A 50 -20.212 29.886 -10.028 1.00 11.40 N ATOM 0 H LYS A 50 -19.603 32.463 -15.106 1.00 10.36 H new ATOM 0 HA LYS A 50 -17.337 34.083 -14.094 1.00 10.37 H new ATOM 0 HB2 LYS A 50 -18.033 32.484 -12.012 1.00 10.47 H new ATOM 0 HB3 LYS A 50 -18.600 34.129 -12.220 1.00 10.47 H new ATOM 0 HG2 LYS A 50 -20.727 33.472 -12.880 1.00 10.65 H new ATOM 0 HG3 LYS A 50 -20.179 31.936 -13.522 1.00 10.65 H new ATOM 0 HD2 LYS A 50 -20.009 32.497 -10.555 1.00 10.86 H new ATOM 0 HD3 LYS A 50 -21.525 31.989 -11.272 1.00 10.86 H new ATOM 0 HE2 LYS A 50 -20.498 29.936 -12.124 1.00 11.05 H new ATOM 0 HE3 LYS A 50 -18.912 30.462 -11.595 1.00 11.05 H new ATOM 0 HZ1 LYS A 50 -19.881 28.900 -10.041 1.00 11.40 H new ATOM 0 HZ2 LYS A 50 -19.692 30.416 -9.300 1.00 11.40 H new ATOM 0 HZ3 LYS A 50 -21.229 29.907 -9.812 1.00 11.40 H new ATOM 816 N PRO A 51 -15.874 32.169 -14.818 1.00 10.48 N ATOM 817 CA PRO A 51 -14.922 31.099 -15.124 1.00 10.66 C ATOM 818 C PRO A 51 -14.115 30.691 -13.903 1.00 10.49 C ATOM 819 O PRO A 51 -12.970 30.253 -14.023 1.00 10.76 O ATOM 820 CB PRO A 51 -13.986 31.733 -16.155 1.00 11.11 C ATOM 821 CG PRO A 51 -14.543 33.092 -16.430 1.00 11.13 C ATOM 822 CD PRO A 51 -15.330 33.461 -15.213 1.00 10.75 C ATOM 0 HA PRO A 51 -15.428 30.199 -15.472 1.00 10.66 H new ATOM 0 HB2 PRO A 51 -12.968 31.798 -15.771 1.00 11.11 H new ATOM 0 HB3 PRO A 51 -13.945 31.136 -17.066 1.00 11.11 H new ATOM 0 HG2 PRO A 51 -13.746 33.812 -16.614 1.00 11.13 H new ATOM 0 HG3 PRO A 51 -15.176 33.084 -17.318 1.00 11.13 H new ATOM 0 HD2 PRO A 51 -14.703 33.897 -14.435 1.00 10.75 H new ATOM 0 HD3 PRO A 51 -16.113 34.186 -15.435 1.00 10.75 H new ATOM 1136 N GLY A 74 -5.357 7.005 -8.027 1.00 10.27 N ATOM 1137 CA GLY A 74 -4.532 6.102 -7.249 1.00 10.44 C ATOM 1138 C GLY A 74 -3.093 6.562 -7.175 1.00 10.53 C ATOM 1139 O GLY A 74 -2.578 7.153 -8.125 1.00 10.94 O ATOM 0 HA2 GLY A 74 -4.938 6.020 -6.241 1.00 10.44 H new ATOM 0 HA3 GLY A 74 -4.571 5.106 -7.690 1.00 10.44 H new ATOM 1143 N ALA A 75 -2.449 6.302 -6.049 1.00 10.31 N ATOM 1144 CA ALA A 75 -1.076 6.724 -5.836 1.00 10.45 C ATOM 1145 C ALA A 75 -0.149 5.523 -5.715 1.00 10.02 C ATOM 1146 O ALA A 75 -0.342 4.676 -4.842 1.00 9.68 O ATOM 1147 CB ALA A 75 -0.994 7.572 -4.574 1.00 10.74 C ATOM 0 H ALA A 75 -2.860 5.797 -5.264 1.00 10.31 H new ATOM 0 HA ALA A 75 -0.757 7.314 -6.695 1.00 10.45 H new ATOM 0 HB1 ALA A 75 0.037 7.888 -4.415 1.00 10.74 H new ATOM 0 HB2 ALA A 75 -1.630 8.450 -4.684 1.00 10.74 H new ATOM 0 HB3 ALA A 75 -1.330 6.985 -3.719 1.00 10.74 H new ATOM 1153 N LYS A 76 0.855 5.444 -6.585 1.00 10.22 N ATOM 1154 CA LYS A 76 1.839 4.380 -6.501 1.00 9.99 C ATOM 1155 C LYS A 76 3.132 4.919 -5.901 1.00 10.09 C ATOM 1156 O LYS A 76 3.736 5.850 -6.430 1.00 10.63 O ATOM 1157 CB LYS A 76 2.095 3.780 -7.888 1.00 10.41 C ATOM 1158 CG LYS A 76 3.212 2.750 -7.923 1.00 10.50 C ATOM 1159 CD LYS A 76 3.628 2.425 -9.349 1.00 11.20 C ATOM 1160 CE LYS A 76 3.202 1.021 -9.755 1.00 11.56 C ATOM 1161 NZ LYS A 76 4.053 -0.024 -9.127 1.00 11.62 N ATOM 0 H LYS A 76 1.004 6.102 -7.350 1.00 10.22 H new ATOM 0 HA LYS A 76 1.456 3.590 -5.855 1.00 9.99 H new ATOM 0 HB2 LYS A 76 1.176 3.316 -8.246 1.00 10.41 H new ATOM 0 HB3 LYS A 76 2.337 4.586 -8.581 1.00 10.41 H new ATOM 0 HG2 LYS A 76 4.072 3.126 -7.369 1.00 10.50 H new ATOM 0 HG3 LYS A 76 2.884 1.839 -7.422 1.00 10.50 H new ATOM 0 HD2 LYS A 76 3.186 3.151 -10.031 1.00 11.20 H new ATOM 0 HD3 LYS A 76 4.710 2.518 -9.442 1.00 11.20 H new ATOM 0 HE2 LYS A 76 2.162 0.861 -9.470 1.00 11.56 H new ATOM 0 HE3 LYS A 76 3.253 0.926 -10.840 1.00 11.56 H new ATOM 0 HZ1 LYS A 76 3.687 -0.965 -9.376 1.00 11.62 H new ATOM 0 HZ2 LYS A 76 5.030 0.070 -9.472 1.00 11.62 H new ATOM 0 HZ3 LYS A 76 4.038 0.091 -8.094 1.00 11.62 H new ATOM 1175 N LEU A 77 3.526 4.360 -4.772 1.00 9.69 N ATOM 1176 CA LEU A 77 4.736 4.752 -4.078 1.00 9.77 C ATOM 1177 C LEU A 77 5.820 3.712 -4.324 1.00 9.68 C ATOM 1178 O LEU A 77 5.565 2.509 -4.242 1.00 9.42 O ATOM 1179 CB LEU A 77 4.400 4.849 -2.572 1.00 9.58 C ATOM 1180 CG LEU A 77 5.531 5.190 -1.581 1.00 9.63 C ATOM 1181 CD1 LEU A 77 6.470 4.014 -1.372 1.00 9.26 C ATOM 1182 CD2 LEU A 77 6.295 6.429 -2.018 1.00 10.17 C ATOM 0 H LEU A 77 3.009 3.614 -4.307 1.00 9.69 H new ATOM 0 HA LEU A 77 5.103 5.713 -4.438 1.00 9.77 H new ATOM 0 HB2 LEU A 77 3.620 5.602 -2.455 1.00 9.58 H new ATOM 0 HB3 LEU A 77 3.970 3.895 -2.267 1.00 9.58 H new ATOM 0 HG LEU A 77 5.062 5.408 -0.621 1.00 9.63 H new ATOM 0 HD11 LEU A 77 7.253 4.294 -0.667 1.00 9.26 H new ATOM 0 HD12 LEU A 77 5.910 3.168 -0.974 1.00 9.26 H new ATOM 0 HD13 LEU A 77 6.922 3.735 -2.324 1.00 9.26 H new ATOM 0 HD21 LEU A 77 7.085 6.642 -1.298 1.00 10.17 H new ATOM 0 HD22 LEU A 77 6.736 6.257 -3.000 1.00 10.17 H new ATOM 0 HD23 LEU A 77 5.613 7.278 -2.070 1.00 10.17 H new ATOM 1194 N LEU A 78 7.019 4.177 -4.626 1.00 10.10 N ATOM 1195 CA LEU A 78 8.160 3.299 -4.776 1.00 10.21 C ATOM 1196 C LEU A 78 9.040 3.433 -3.552 1.00 10.19 C ATOM 1197 O LEU A 78 9.366 4.543 -3.151 1.00 10.62 O ATOM 1198 CB LEU A 78 8.962 3.663 -6.029 1.00 10.97 C ATOM 1199 CG LEU A 78 8.853 2.675 -7.199 1.00 11.03 C ATOM 1200 CD1 LEU A 78 10.045 1.731 -7.209 1.00 11.63 C ATOM 1201 CD2 LEU A 78 7.551 1.887 -7.136 1.00 10.95 C ATOM 0 H LEU A 78 7.226 5.165 -4.773 1.00 10.10 H new ATOM 0 HA LEU A 78 7.811 2.272 -4.880 1.00 10.21 H new ATOM 0 HB2 LEU A 78 8.636 4.644 -6.374 1.00 10.97 H new ATOM 0 HB3 LEU A 78 10.012 3.755 -5.752 1.00 10.97 H new ATOM 0 HG LEU A 78 8.853 3.250 -8.125 1.00 11.03 H new ATOM 0 HD11 LEU A 78 9.953 1.037 -8.044 1.00 11.63 H new ATOM 0 HD12 LEU A 78 10.964 2.307 -7.316 1.00 11.63 H new ATOM 0 HD13 LEU A 78 10.074 1.171 -6.274 1.00 11.63 H new ATOM 0 HD21 LEU A 78 7.503 1.196 -7.978 1.00 10.95 H new ATOM 0 HD22 LEU A 78 7.510 1.326 -6.203 1.00 10.95 H new ATOM 0 HD23 LEU A 78 6.707 2.575 -7.183 1.00 10.95 H new ATOM 1213 N VAL A 79 9.433 2.322 -2.962 1.00 9.81 N ATOM 1214 CA VAL A 79 10.251 2.367 -1.757 1.00 9.81 C ATOM 1215 C VAL A 79 11.436 1.435 -1.931 1.00 10.08 C ATOM 1216 O VAL A 79 11.296 0.391 -2.550 1.00 10.09 O ATOM 1217 CB VAL A 79 9.441 1.989 -0.493 1.00 9.37 C ATOM 1218 CG1 VAL A 79 8.673 0.707 -0.720 1.00 9.42 C ATOM 1219 CG2 VAL A 79 10.341 1.867 0.731 1.00 9.16 C ATOM 0 H VAL A 79 9.204 1.384 -3.290 1.00 9.81 H new ATOM 0 HA VAL A 79 10.600 3.389 -1.613 1.00 9.81 H new ATOM 0 HB VAL A 79 8.730 2.792 -0.301 1.00 9.37 H new ATOM 0 HG11 VAL A 79 8.109 0.456 0.179 1.00 9.42 H new ATOM 0 HG12 VAL A 79 7.985 0.838 -1.555 1.00 9.42 H new ATOM 0 HG13 VAL A 79 9.370 -0.099 -0.948 1.00 9.42 H new ATOM 0 HG21 VAL A 79 9.739 1.601 1.600 1.00 9.16 H new ATOM 0 HG22 VAL A 79 11.089 1.094 0.557 1.00 9.16 H new ATOM 0 HG23 VAL A 79 10.839 2.819 0.913 1.00 9.16 H new ATOM 1229 N SER A 80 12.605 1.830 -1.447 1.00 10.48 N ATOM 1230 CA SER A 80 13.799 1.000 -1.567 1.00 10.87 C ATOM 1231 C SER A 80 14.763 1.230 -0.403 1.00 10.93 C ATOM 1232 O SER A 80 15.430 2.265 -0.353 1.00 11.28 O ATOM 1233 CB SER A 80 14.518 1.296 -2.890 1.00 11.70 C ATOM 1234 OG SER A 80 13.614 1.277 -3.986 1.00 11.92 O ATOM 0 H SER A 80 12.754 2.718 -0.968 1.00 10.48 H new ATOM 0 HA SER A 80 13.478 -0.042 -1.546 1.00 10.87 H new ATOM 0 HB2 SER A 80 15.002 2.271 -2.833 1.00 11.70 H new ATOM 0 HB3 SER A 80 15.304 0.558 -3.052 1.00 11.70 H new ATOM 0 HG SER A 80 14.100 1.470 -4.815 1.00 11.92 H new ATOM 1240 N ASN A 81 14.802 0.269 0.532 1.00 10.71 N ATOM 1241 CA ASN A 81 15.780 0.252 1.636 1.00 10.82 C ATOM 1242 C ASN A 81 15.385 -0.771 2.692 1.00 11.07 C ATOM 1243 O ASN A 81 14.718 -0.436 3.668 1.00 11.33 O ATOM 1244 CB ASN A 81 15.927 1.618 2.309 1.00 10.85 C ATOM 1245 CG ASN A 81 17.296 1.798 2.938 1.00 11.09 C ATOM 1246 OD1 ASN A 81 17.369 2.622 3.970 1.00 11.13 O flip ATOM 1247 ND2 ASN A 81 18.279 1.203 2.502 1.00 11.43 N flip ATOM 0 H ASN A 81 14.156 -0.521 0.546 1.00 10.71 H new ATOM 0 HA ASN A 81 16.737 -0.017 1.190 1.00 10.82 H new ATOM 0 HB2 ASN A 81 15.760 2.404 1.573 1.00 10.85 H new ATOM 0 HB3 ASN A 81 15.159 1.729 3.074 1.00 10.85 H new ATOM 0 HD21 ASN A 81 18.183 0.575 1.704 1.00 11.43 H new ATOM 0 HD22 ASN A 81 19.191 1.337 2.938 1.00 11.43 H new ATOM 1254 N LEU A 82 15.798 -2.012 2.490 1.00 11.17 N ATOM 1255 CA LEU A 82 15.505 -3.094 3.423 1.00 11.63 C ATOM 1256 C LEU A 82 16.539 -4.206 3.255 1.00 11.86 C ATOM 1257 O LEU A 82 17.663 -3.948 2.823 1.00 12.01 O ATOM 1258 CB LEU A 82 14.094 -3.643 3.178 1.00 12.01 C ATOM 1259 CG LEU A 82 13.170 -3.702 4.402 1.00 12.36 C ATOM 1260 CD1 LEU A 82 13.954 -4.000 5.671 1.00 12.48 C ATOM 1261 CD2 LEU A 82 12.389 -2.404 4.535 1.00 12.61 C ATOM 0 H LEU A 82 16.344 -2.300 1.678 1.00 11.17 H new ATOM 0 HA LEU A 82 15.552 -2.709 4.442 1.00 11.63 H new ATOM 0 HB2 LEU A 82 13.615 -3.029 2.416 1.00 12.01 H new ATOM 0 HB3 LEU A 82 14.184 -4.649 2.767 1.00 12.01 H new ATOM 0 HG LEU A 82 12.462 -4.518 4.256 1.00 12.36 H new ATOM 0 HD11 LEU A 82 13.272 -4.035 6.520 1.00 12.48 H new ATOM 0 HD12 LEU A 82 14.458 -4.961 5.570 1.00 12.48 H new ATOM 0 HD13 LEU A 82 14.695 -3.217 5.833 1.00 12.48 H new ATOM 0 HD21 LEU A 82 11.737 -2.459 5.407 1.00 12.61 H new ATOM 0 HD22 LEU A 82 13.083 -1.572 4.653 1.00 12.61 H new ATOM 0 HD23 LEU A 82 11.786 -2.249 3.641 1.00 12.61 H new ATOM 1273 N ASP A 83 16.160 -5.439 3.577 1.00 12.07 N ATOM 1274 CA ASP A 83 17.082 -6.564 3.478 1.00 12.45 C ATOM 1275 C ASP A 83 16.722 -7.488 2.312 1.00 12.57 C ATOM 1276 O ASP A 83 17.030 -7.190 1.162 1.00 13.12 O ATOM 1277 CB ASP A 83 17.142 -7.356 4.797 1.00 12.62 C ATOM 1278 CG ASP A 83 15.785 -7.574 5.443 1.00 13.10 C ATOM 1279 OD1 ASP A 83 15.028 -8.443 4.970 1.00 13.59 O ATOM 1280 OD2 ASP A 83 15.478 -6.879 6.430 1.00 13.12 O ATOM 0 H ASP A 83 15.226 -5.683 3.907 1.00 12.07 H new ATOM 0 HA ASP A 83 18.072 -6.150 3.284 1.00 12.45 H new ATOM 0 HB2 ASP A 83 17.604 -8.325 4.607 1.00 12.62 H new ATOM 0 HB3 ASP A 83 17.787 -6.827 5.499 1.00 12.62 H new ATOM 1285 N PHE A 84 16.055 -8.596 2.609 1.00 12.22 N ATOM 1286 CA PHE A 84 15.813 -9.642 1.622 1.00 12.46 C ATOM 1287 C PHE A 84 14.485 -10.352 1.879 1.00 12.41 C ATOM 1288 O PHE A 84 13.727 -10.620 0.949 1.00 12.73 O ATOM 1289 CB PHE A 84 16.956 -10.669 1.649 1.00 12.51 C ATOM 1290 CG PHE A 84 17.761 -10.641 2.920 1.00 12.50 C ATOM 1291 CD1 PHE A 84 17.222 -11.107 4.110 1.00 12.69 C ATOM 1292 CD2 PHE A 84 19.049 -10.130 2.930 1.00 12.45 C ATOM 1293 CE1 PHE A 84 17.949 -11.065 5.280 1.00 12.83 C ATOM 1294 CE2 PHE A 84 19.783 -10.087 4.099 1.00 12.59 C ATOM 1295 CZ PHE A 84 19.232 -10.554 5.275 1.00 12.79 C ATOM 0 H PHE A 84 15.669 -8.795 3.532 1.00 12.22 H new ATOM 0 HA PHE A 84 15.767 -9.169 0.641 1.00 12.46 H new ATOM 0 HB2 PHE A 84 16.540 -11.667 1.514 1.00 12.51 H new ATOM 0 HB3 PHE A 84 17.620 -10.484 0.804 1.00 12.51 H new ATOM 0 HD1 PHE A 84 16.219 -11.508 4.120 1.00 12.69 H new ATOM 0 HD2 PHE A 84 19.484 -9.761 2.013 1.00 12.45 H new ATOM 0 HE1 PHE A 84 17.516 -11.431 6.199 1.00 12.83 H new ATOM 0 HE2 PHE A 84 20.787 -9.688 4.093 1.00 12.59 H new ATOM 0 HZ PHE A 84 19.804 -10.520 6.191 1.00 12.79 H new ATOM 1305 N GLY A 85 14.192 -10.623 3.147 1.00 12.18 N ATOM 1306 CA GLY A 85 13.017 -11.404 3.491 1.00 12.33 C ATOM 1307 C GLY A 85 11.783 -10.549 3.672 1.00 12.00 C ATOM 1308 O GLY A 85 10.810 -10.968 4.298 1.00 12.39 O ATOM 0 H GLY A 85 14.749 -10.315 3.944 1.00 12.18 H new ATOM 0 HA2 GLY A 85 12.833 -12.140 2.709 1.00 12.33 H new ATOM 0 HA3 GLY A 85 13.209 -11.957 4.410 1.00 12.33 H new ATOM 1312 N VAL A 86 11.828 -9.347 3.122 1.00 11.43 N ATOM 1313 CA VAL A 86 10.716 -8.413 3.205 1.00 11.18 C ATOM 1314 C VAL A 86 9.551 -8.890 2.351 1.00 11.50 C ATOM 1315 O VAL A 86 9.693 -9.072 1.142 1.00 11.42 O ATOM 1316 CB VAL A 86 11.132 -7.007 2.736 1.00 10.44 C ATOM 1317 CG1 VAL A 86 10.249 -5.942 3.367 1.00 10.36 C ATOM 1318 CG2 VAL A 86 12.598 -6.754 3.054 1.00 10.15 C ATOM 0 H VAL A 86 12.633 -8.991 2.607 1.00 11.43 H new ATOM 0 HA VAL A 86 10.411 -8.365 4.250 1.00 11.18 H new ATOM 0 HB VAL A 86 11.001 -6.953 1.655 1.00 10.44 H new ATOM 0 HG11 VAL A 86 10.562 -4.957 3.020 1.00 10.36 H new ATOM 0 HG12 VAL A 86 9.211 -6.114 3.081 1.00 10.36 H new ATOM 0 HG13 VAL A 86 10.340 -5.990 4.452 1.00 10.36 H new ATOM 0 HG21 VAL A 86 12.877 -5.756 2.716 1.00 10.15 H new ATOM 0 HG22 VAL A 86 12.755 -6.830 4.130 1.00 10.15 H new ATOM 0 HG23 VAL A 86 13.214 -7.495 2.544 1.00 10.15 H new ATOM 1328 N SER A 87 8.417 -9.124 2.984 1.00 12.04 N ATOM 1329 CA SER A 87 7.219 -9.525 2.270 1.00 12.55 C ATOM 1330 C SER A 87 6.237 -8.363 2.160 1.00 12.18 C ATOM 1331 O SER A 87 6.450 -7.303 2.749 1.00 11.57 O ATOM 1332 CB SER A 87 6.561 -10.711 2.981 1.00 13.39 C ATOM 1333 OG SER A 87 7.432 -11.269 3.952 1.00 13.46 O ATOM 0 H SER A 87 8.300 -9.043 3.994 1.00 12.04 H new ATOM 0 HA SER A 87 7.502 -9.826 1.261 1.00 12.55 H new ATOM 0 HB2 SER A 87 5.638 -10.386 3.460 1.00 13.39 H new ATOM 0 HB3 SER A 87 6.290 -11.473 2.250 1.00 13.39 H new ATOM 0 HG SER A 87 7.448 -10.695 4.746 1.00 13.46 H new ATOM 1339 N ASP A 88 5.186 -8.568 1.372 1.00 12.66 N ATOM 1340 CA ASP A 88 4.102 -7.597 1.222 1.00 12.44 C ATOM 1341 C ASP A 88 3.630 -7.067 2.572 1.00 12.35 C ATOM 1342 O ASP A 88 3.690 -5.867 2.826 1.00 11.82 O ATOM 1343 CB ASP A 88 2.920 -8.221 0.474 1.00 13.21 C ATOM 1344 CG ASP A 88 2.863 -9.727 0.622 1.00 13.68 C ATOM 1345 OD1 ASP A 88 3.563 -10.426 -0.140 1.00 13.63 O ATOM 1346 OD2 ASP A 88 2.124 -10.216 1.502 1.00 14.23 O ATOM 0 H ASP A 88 5.060 -9.414 0.817 1.00 12.66 H new ATOM 0 HA ASP A 88 4.495 -6.760 0.645 1.00 12.44 H new ATOM 0 HB2 ASP A 88 1.991 -7.788 0.846 1.00 13.21 H new ATOM 0 HB3 ASP A 88 2.990 -7.966 -0.584 1.00 13.21 H new ATOM 1351 N ALA A 89 3.177 -7.965 3.440 1.00 13.02 N ATOM 1352 CA ALA A 89 2.680 -7.579 4.761 1.00 13.24 C ATOM 1353 C ALA A 89 3.731 -6.796 5.545 1.00 12.75 C ATOM 1354 O ALA A 89 3.405 -5.864 6.279 1.00 12.82 O ATOM 1355 CB ALA A 89 2.252 -8.811 5.539 1.00 14.29 C ATOM 0 H ALA A 89 3.143 -8.967 3.255 1.00 13.02 H new ATOM 0 HA ALA A 89 1.817 -6.928 4.619 1.00 13.24 H new ATOM 0 HB1 ALA A 89 1.884 -8.512 6.520 1.00 14.29 H new ATOM 0 HB2 ALA A 89 1.460 -9.327 4.996 1.00 14.29 H new ATOM 0 HB3 ALA A 89 3.104 -9.480 5.660 1.00 14.29 H new ATOM 1361 N ASP A 90 4.986 -7.189 5.375 1.00 12.38 N ATOM 1362 CA ASP A 90 6.108 -6.525 6.035 1.00 12.03 C ATOM 1363 C ASP A 90 6.158 -5.047 5.669 1.00 11.35 C ATOM 1364 O ASP A 90 6.023 -4.180 6.532 1.00 11.52 O ATOM 1365 CB ASP A 90 7.431 -7.189 5.660 1.00 11.82 C ATOM 1366 CG ASP A 90 7.672 -8.477 6.413 1.00 12.43 C ATOM 1367 OD1 ASP A 90 7.507 -8.490 7.649 1.00 12.76 O ATOM 1368 OD2 ASP A 90 8.031 -9.484 5.770 1.00 12.67 O ATOM 0 H ASP A 90 5.257 -7.972 4.780 1.00 12.38 H new ATOM 0 HA ASP A 90 5.957 -6.618 7.111 1.00 12.03 H new ATOM 0 HB2 ASP A 90 7.440 -7.392 4.589 1.00 11.82 H new ATOM 0 HB3 ASP A 90 8.249 -6.497 5.860 1.00 11.82 H new ATOM 1373 N ILE A 91 6.340 -4.761 4.385 1.00 10.74 N ATOM 1374 CA ILE A 91 6.407 -3.380 3.914 1.00 10.19 C ATOM 1375 C ILE A 91 5.064 -2.665 4.096 1.00 10.43 C ATOM 1376 O ILE A 91 5.007 -1.435 4.186 1.00 10.36 O ATOM 1377 CB ILE A 91 6.861 -3.304 2.437 1.00 9.70 C ATOM 1378 CG1 ILE A 91 7.322 -1.886 2.092 1.00 9.11 C ATOM 1379 CG2 ILE A 91 5.752 -3.750 1.496 1.00 9.94 C ATOM 1380 CD1 ILE A 91 8.776 -1.625 2.424 1.00 9.17 C ATOM 0 H ILE A 91 6.444 -5.463 3.653 1.00 10.74 H new ATOM 0 HA ILE A 91 7.153 -2.870 4.523 1.00 10.19 H new ATOM 0 HB ILE A 91 7.702 -3.985 2.308 1.00 9.70 H new ATOM 0 HG12 ILE A 91 7.163 -1.710 1.028 1.00 9.11 H new ATOM 0 HG13 ILE A 91 6.701 -1.170 2.630 1.00 9.11 H new ATOM 0 HG21 ILE A 91 6.101 -3.685 0.466 1.00 9.94 H new ATOM 0 HG22 ILE A 91 5.476 -4.780 1.722 1.00 9.94 H new ATOM 0 HG23 ILE A 91 4.883 -3.105 1.626 1.00 9.94 H new ATOM 0 HD11 ILE A 91 9.033 -0.601 2.153 1.00 9.17 H new ATOM 0 HD12 ILE A 91 8.937 -1.769 3.492 1.00 9.17 H new ATOM 0 HD13 ILE A 91 9.407 -2.317 1.866 1.00 9.17 H new ATOM 1392 N GLN A 92 3.988 -3.439 4.175 1.00 10.89 N ATOM 1393 CA GLN A 92 2.672 -2.881 4.441 1.00 11.26 C ATOM 1394 C GLN A 92 2.618 -2.359 5.872 1.00 11.84 C ATOM 1395 O GLN A 92 2.126 -1.264 6.122 1.00 11.95 O ATOM 1396 CB GLN A 92 1.569 -3.916 4.208 1.00 11.85 C ATOM 1397 CG GLN A 92 0.171 -3.316 4.227 1.00 12.25 C ATOM 1398 CD GLN A 92 -0.682 -3.754 3.051 1.00 13.23 C ATOM 1399 OE1 GLN A 92 -0.203 -4.395 2.116 1.00 13.70 O ATOM 1400 NE2 GLN A 92 -1.957 -3.403 3.089 1.00 13.70 N ATOM 0 H GLN A 92 4.003 -4.452 4.059 1.00 10.89 H new ATOM 0 HA GLN A 92 2.501 -2.057 3.748 1.00 11.26 H new ATOM 0 HB2 GLN A 92 1.735 -4.404 3.248 1.00 11.85 H new ATOM 0 HB3 GLN A 92 1.636 -4.688 4.974 1.00 11.85 H new ATOM 0 HG2 GLN A 92 -0.327 -3.599 5.154 1.00 12.25 H new ATOM 0 HG3 GLN A 92 0.249 -2.229 4.226 1.00 12.25 H new ATOM 0 HE21 GLN A 92 -2.316 -2.872 3.882 1.00 13.70 H new ATOM 0 HE22 GLN A 92 -2.581 -3.664 2.325 1.00 13.70 H new ATOM 1409 N GLU A 93 3.132 -3.154 6.805 1.00 12.34 N ATOM 1410 CA GLU A 93 3.258 -2.737 8.200 1.00 13.06 C ATOM 1411 C GLU A 93 4.135 -1.491 8.308 1.00 12.81 C ATOM 1412 O GLU A 93 3.905 -0.620 9.146 1.00 13.39 O ATOM 1413 CB GLU A 93 3.865 -3.867 9.034 1.00 13.62 C ATOM 1414 CG GLU A 93 2.867 -4.567 9.938 1.00 14.57 C ATOM 1415 CD GLU A 93 2.842 -6.068 9.733 1.00 15.36 C ATOM 1416 OE1 GLU A 93 3.919 -6.668 9.545 1.00 15.75 O ATOM 1417 OE2 GLU A 93 1.735 -6.653 9.760 1.00 15.72 O ATOM 0 H GLU A 93 3.471 -4.098 6.619 1.00 12.34 H new ATOM 0 HA GLU A 93 2.264 -2.503 8.581 1.00 13.06 H new ATOM 0 HB2 GLU A 93 4.311 -4.602 8.363 1.00 13.62 H new ATOM 0 HB3 GLU A 93 4.672 -3.462 9.645 1.00 13.62 H new ATOM 0 HG2 GLU A 93 3.112 -4.351 10.978 1.00 14.57 H new ATOM 0 HG3 GLU A 93 1.871 -4.163 9.754 1.00 14.57 H new ATOM 1424 N LEU A 94 5.126 -1.417 7.430 1.00 12.08 N ATOM 1425 CA LEU A 94 6.057 -0.298 7.407 1.00 11.97 C ATOM 1426 C LEU A 94 5.339 0.994 7.023 1.00 11.94 C ATOM 1427 O LEU A 94 5.300 1.948 7.795 1.00 12.57 O ATOM 1428 CB LEU A 94 7.207 -0.573 6.435 1.00 11.31 C ATOM 1429 CG LEU A 94 8.377 0.410 6.522 1.00 11.47 C ATOM 1430 CD1 LEU A 94 9.596 -0.261 7.133 1.00 11.42 C ATOM 1431 CD2 LEU A 94 8.708 0.967 5.145 1.00 11.53 C ATOM 0 H LEU A 94 5.306 -2.125 6.719 1.00 12.08 H new ATOM 0 HA LEU A 94 6.469 -0.180 8.409 1.00 11.97 H new ATOM 0 HB2 LEU A 94 7.584 -1.580 6.617 1.00 11.31 H new ATOM 0 HB3 LEU A 94 6.815 -0.558 5.418 1.00 11.31 H new ATOM 0 HG LEU A 94 8.083 1.238 7.167 1.00 11.47 H new ATOM 0 HD11 LEU A 94 10.417 0.454 7.186 1.00 11.42 H new ATOM 0 HD12 LEU A 94 9.354 -0.611 8.137 1.00 11.42 H new ATOM 0 HD13 LEU A 94 9.893 -1.108 6.515 1.00 11.42 H new ATOM 0 HD21 LEU A 94 9.542 1.664 5.225 1.00 11.53 H new ATOM 0 HD22 LEU A 94 8.981 0.149 4.478 1.00 11.53 H new ATOM 0 HD23 LEU A 94 7.838 1.487 4.744 1.00 11.53 H new ATOM 1443 N PHE A 95 4.787 1.036 5.819 1.00 11.31 N ATOM 1444 CA PHE A 95 4.059 2.220 5.377 1.00 11.29 C ATOM 1445 C PHE A 95 2.759 2.440 6.157 1.00 11.98 C ATOM 1446 O PHE A 95 2.185 3.519 6.085 1.00 12.28 O ATOM 1447 CB PHE A 95 3.797 2.178 3.876 1.00 10.57 C ATOM 1448 CG PHE A 95 4.627 3.174 3.121 1.00 10.24 C ATOM 1449 CD1 PHE A 95 5.983 2.958 2.939 1.00 9.80 C ATOM 1450 CD2 PHE A 95 4.062 4.335 2.611 1.00 10.59 C ATOM 1451 CE1 PHE A 95 6.757 3.875 2.260 1.00 9.76 C ATOM 1452 CE2 PHE A 95 4.834 5.253 1.934 1.00 10.56 C ATOM 1453 CZ PHE A 95 6.180 5.024 1.760 1.00 10.20 C ATOM 0 H PHE A 95 4.827 0.277 5.139 1.00 11.31 H new ATOM 0 HA PHE A 95 4.700 3.076 5.589 1.00 11.29 H new ATOM 0 HB2 PHE A 95 4.007 1.176 3.501 1.00 10.57 H new ATOM 0 HB3 PHE A 95 2.741 2.373 3.689 1.00 10.57 H new ATOM 0 HD1 PHE A 95 6.439 2.062 3.333 1.00 9.80 H new ATOM 0 HD2 PHE A 95 3.007 4.520 2.746 1.00 10.59 H new ATOM 0 HE1 PHE A 95 7.813 3.694 2.120 1.00 9.76 H new ATOM 0 HE2 PHE A 95 4.383 6.152 1.540 1.00 10.56 H new ATOM 0 HZ PHE A 95 6.786 5.745 1.231 1.00 10.20 H new ATOM 1463 N ALA A 96 2.289 1.427 6.885 1.00 12.37 N ATOM 1464 CA ALA A 96 1.190 1.624 7.834 1.00 13.23 C ATOM 1465 C ALA A 96 1.667 2.466 9.013 1.00 14.04 C ATOM 1466 O ALA A 96 0.981 3.377 9.477 1.00 14.68 O ATOM 1467 CB ALA A 96 0.651 0.287 8.321 1.00 13.64 C ATOM 0 H ALA A 96 2.646 0.473 6.838 1.00 12.37 H new ATOM 0 HA ALA A 96 0.382 2.150 7.326 1.00 13.23 H new ATOM 0 HB1 ALA A 96 -0.164 0.458 9.024 1.00 13.64 H new ATOM 0 HB2 ALA A 96 0.283 -0.288 7.471 1.00 13.64 H new ATOM 0 HB3 ALA A 96 1.448 -0.268 8.817 1.00 13.64 H new ATOM 1473 N GLU A 97 2.830 2.093 9.521 1.00 14.09 N ATOM 1474 CA GLU A 97 3.573 2.941 10.455 1.00 14.82 C ATOM 1475 C GLU A 97 3.660 4.372 9.905 1.00 14.74 C ATOM 1476 O GLU A 97 3.625 5.348 10.656 1.00 15.58 O ATOM 1477 CB GLU A 97 4.975 2.392 10.698 1.00 14.74 C ATOM 1478 CG GLU A 97 5.289 2.163 12.161 1.00 15.73 C ATOM 1479 CD GLU A 97 5.263 0.701 12.526 1.00 16.14 C ATOM 1480 OE1 GLU A 97 6.263 0.006 12.263 1.00 16.03 O ATOM 1481 OE2 GLU A 97 4.244 0.235 13.072 1.00 16.68 O ATOM 0 H GLU A 97 3.286 1.207 9.305 1.00 14.09 H new ATOM 0 HA GLU A 97 3.041 2.949 11.406 1.00 14.82 H new ATOM 0 HB2 GLU A 97 5.087 1.451 10.159 1.00 14.74 H new ATOM 0 HB3 GLU A 97 5.705 3.086 10.282 1.00 14.74 H new ATOM 0 HG2 GLU A 97 6.272 2.575 12.389 1.00 15.73 H new ATOM 0 HG3 GLU A 97 4.567 2.702 12.775 1.00 15.73 H new ATOM 1488 N PHE A 98 3.767 4.471 8.582 1.00 13.84 N ATOM 1489 CA PHE A 98 3.815 5.752 7.877 1.00 13.78 C ATOM 1490 C PHE A 98 2.413 6.318 7.588 1.00 14.08 C ATOM 1491 O PHE A 98 2.279 7.406 7.019 1.00 14.23 O ATOM 1492 CB PHE A 98 4.596 5.593 6.570 1.00 12.84 C ATOM 1493 CG PHE A 98 6.075 5.416 6.772 1.00 12.77 C ATOM 1494 CD1 PHE A 98 6.726 6.050 7.817 1.00 12.76 C ATOM 1495 CD2 PHE A 98 6.815 4.619 5.913 1.00 12.86 C ATOM 1496 CE1 PHE A 98 8.084 5.895 8.003 1.00 12.87 C ATOM 1497 CE2 PHE A 98 8.175 4.460 6.095 1.00 12.95 C ATOM 1498 CZ PHE A 98 8.810 5.099 7.141 1.00 12.97 C ATOM 0 H PHE A 98 3.823 3.661 7.965 1.00 13.84 H new ATOM 0 HA PHE A 98 4.320 6.465 8.529 1.00 13.78 H new ATOM 0 HB2 PHE A 98 4.206 4.733 6.026 1.00 12.84 H new ATOM 0 HB3 PHE A 98 4.425 6.470 5.945 1.00 12.84 H new ATOM 0 HD1 PHE A 98 6.163 6.674 8.495 1.00 12.76 H new ATOM 0 HD2 PHE A 98 6.323 4.117 5.093 1.00 12.86 H new ATOM 0 HE1 PHE A 98 8.578 6.396 8.822 1.00 12.87 H new ATOM 0 HE2 PHE A 98 8.741 3.836 5.419 1.00 12.95 H new ATOM 0 HZ PHE A 98 9.873 4.976 7.284 1.00 12.97 H new ATOM 1508 N GLY A 99 1.381 5.581 7.976 1.00 14.25 N ATOM 1509 CA GLY A 99 0.016 6.019 7.716 1.00 14.54 C ATOM 1510 C GLY A 99 -0.908 4.908 7.238 1.00 14.14 C ATOM 1511 O GLY A 99 -0.469 3.800 6.954 1.00 14.45 O ATOM 0 H GLY A 99 1.460 4.689 8.465 1.00 14.25 H new ATOM 0 HA2 GLY A 99 -0.395 6.453 8.627 1.00 14.54 H new ATOM 0 HA3 GLY A 99 0.035 6.810 6.966 1.00 14.54 H new ATOM 1515 N THR A 100 -2.196 5.217 7.166 1.00 13.58 N ATOM 1516 CA THR A 100 -3.197 4.262 6.702 1.00 13.32 C ATOM 1517 C THR A 100 -2.872 3.756 5.294 1.00 12.31 C ATOM 1518 O THR A 100 -2.950 4.506 4.316 1.00 11.75 O ATOM 1519 CB THR A 100 -4.608 4.878 6.709 1.00 13.60 C ATOM 1520 OG1 THR A 100 -4.623 6.065 7.516 1.00 14.03 O ATOM 1521 CG2 THR A 100 -5.628 3.883 7.243 1.00 14.35 C ATOM 0 H THR A 100 -2.575 6.128 7.425 1.00 13.58 H new ATOM 0 HA THR A 100 -3.176 3.421 7.395 1.00 13.32 H new ATOM 0 HB THR A 100 -4.874 5.134 5.683 1.00 13.60 H new ATOM 0 HG1 THR A 100 -5.524 6.451 7.513 1.00 14.03 H new ATOM 0 HG21 THR A 100 -6.618 4.339 7.239 1.00 14.35 H new ATOM 0 HG22 THR A 100 -5.635 2.995 6.611 1.00 14.35 H new ATOM 0 HG23 THR A 100 -5.362 3.601 8.262 1.00 14.35 H new ATOM 1529 N LEU A 101 -2.531 2.476 5.198 1.00 12.24 N ATOM 1530 CA LEU A 101 -2.098 1.884 3.938 1.00 11.47 C ATOM 1531 C LEU A 101 -3.219 1.077 3.304 1.00 11.61 C ATOM 1532 O LEU A 101 -4.055 0.504 4.001 1.00 12.28 O ATOM 1533 CB LEU A 101 -0.881 0.983 4.165 1.00 11.39 C ATOM 1534 CG LEU A 101 -0.026 0.719 2.923 1.00 10.65 C ATOM 1535 CD1 LEU A 101 0.208 2.004 2.153 1.00 10.24 C ATOM 1536 CD2 LEU A 101 1.297 0.097 3.315 1.00 10.45 C ATOM 0 H LEU A 101 -2.546 1.825 5.983 1.00 12.24 H new ATOM 0 HA LEU A 101 -1.826 2.694 3.262 1.00 11.47 H new ATOM 0 HB2 LEU A 101 -0.251 1.436 4.931 1.00 11.39 H new ATOM 0 HB3 LEU A 101 -1.225 0.027 4.560 1.00 11.39 H new ATOM 0 HG LEU A 101 -0.563 0.022 2.280 1.00 10.65 H new ATOM 0 HD11 LEU A 101 0.818 1.795 1.274 1.00 10.24 H new ATOM 0 HD12 LEU A 101 -0.750 2.420 1.840 1.00 10.24 H new ATOM 0 HD13 LEU A 101 0.724 2.721 2.791 1.00 10.24 H new ATOM 0 HD21 LEU A 101 1.893 -0.084 2.421 1.00 10.45 H new ATOM 0 HD22 LEU A 101 1.835 0.774 3.978 1.00 10.45 H new ATOM 0 HD23 LEU A 101 1.117 -0.847 3.829 1.00 10.45 H new ATOM 1548 N LYS A 102 -3.236 1.048 1.980 1.00 11.11 N ATOM 1549 CA LYS A 102 -4.217 0.267 1.245 1.00 11.26 C ATOM 1550 C LYS A 102 -3.585 -1.033 0.781 1.00 11.16 C ATOM 1551 O LYS A 102 -4.037 -2.119 1.143 1.00 11.79 O ATOM 1552 CB LYS A 102 -4.749 1.052 0.043 1.00 10.93 C ATOM 1553 CG LYS A 102 -5.802 2.086 0.407 1.00 11.36 C ATOM 1554 CD LYS A 102 -5.172 3.346 0.974 1.00 11.57 C ATOM 1555 CE LYS A 102 -5.533 3.538 2.437 1.00 12.20 C ATOM 1556 NZ LYS A 102 -5.312 4.938 2.888 1.00 12.64 N ATOM 0 H LYS A 102 -2.578 1.559 1.391 1.00 11.11 H new ATOM 0 HA LYS A 102 -5.056 0.048 1.905 1.00 11.26 H new ATOM 0 HB2 LYS A 102 -3.916 1.553 -0.450 1.00 10.93 H new ATOM 0 HB3 LYS A 102 -5.173 0.353 -0.678 1.00 10.93 H new ATOM 0 HG2 LYS A 102 -6.388 2.337 -0.477 1.00 11.36 H new ATOM 0 HG3 LYS A 102 -6.492 1.663 1.137 1.00 11.36 H new ATOM 0 HD2 LYS A 102 -4.088 3.291 0.870 1.00 11.57 H new ATOM 0 HD3 LYS A 102 -5.504 4.211 0.399 1.00 11.57 H new ATOM 0 HE2 LYS A 102 -6.578 3.269 2.591 1.00 12.20 H new ATOM 0 HE3 LYS A 102 -4.936 2.862 3.049 1.00 12.20 H new ATOM 0 HZ1 LYS A 102 -6.122 5.250 3.461 1.00 12.64 H new ATOM 0 HZ2 LYS A 102 -4.444 4.986 3.459 1.00 12.64 H new ATOM 0 HZ3 LYS A 102 -5.215 5.559 2.059 1.00 12.64 H new ATOM 1570 N LYS A 103 -2.535 -0.920 -0.024 1.00 10.53 N ATOM 1571 CA LYS A 103 -1.785 -2.092 -0.442 1.00 10.59 C ATOM 1572 C LYS A 103 -0.313 -1.765 -0.561 1.00 10.09 C ATOM 1573 O LYS A 103 0.053 -0.640 -0.892 1.00 9.59 O ATOM 1574 CB LYS A 103 -2.311 -2.652 -1.769 1.00 10.70 C ATOM 1575 CG LYS A 103 -2.770 -1.593 -2.755 1.00 10.37 C ATOM 1576 CD LYS A 103 -4.281 -1.612 -2.941 1.00 10.76 C ATOM 1577 CE LYS A 103 -4.798 -3.018 -3.213 1.00 11.04 C ATOM 1578 NZ LYS A 103 -5.576 -3.091 -4.476 1.00 12.01 N ATOM 0 H LYS A 103 -2.188 -0.036 -0.396 1.00 10.53 H new ATOM 0 HA LYS A 103 -1.918 -2.858 0.322 1.00 10.59 H new ATOM 0 HB2 LYS A 103 -1.527 -3.250 -2.234 1.00 10.70 H new ATOM 0 HB3 LYS A 103 -3.144 -3.324 -1.562 1.00 10.70 H new ATOM 0 HG2 LYS A 103 -2.459 -0.609 -2.403 1.00 10.37 H new ATOM 0 HG3 LYS A 103 -2.283 -1.756 -3.717 1.00 10.37 H new ATOM 0 HD2 LYS A 103 -4.762 -1.214 -2.048 1.00 10.76 H new ATOM 0 HD3 LYS A 103 -4.554 -0.958 -3.769 1.00 10.76 H new ATOM 0 HE2 LYS A 103 -3.957 -3.710 -3.265 1.00 11.04 H new ATOM 0 HE3 LYS A 103 -5.425 -3.341 -2.382 1.00 11.04 H new ATOM 0 HZ1 LYS A 103 -5.909 -4.065 -4.623 1.00 12.01 H new ATOM 0 HZ2 LYS A 103 -6.393 -2.451 -4.418 1.00 12.01 H new ATOM 0 HZ3 LYS A 103 -4.971 -2.808 -5.273 1.00 12.01 H new ATOM 1592 N ALA A 104 0.522 -2.743 -0.262 1.00 10.38 N ATOM 1593 CA ALA A 104 1.957 -2.598 -0.395 1.00 10.01 C ATOM 1594 C ALA A 104 2.608 -3.971 -0.487 1.00 10.44 C ATOM 1595 O ALA A 104 2.469 -4.797 0.411 1.00 10.99 O ATOM 1596 CB ALA A 104 2.529 -1.791 0.764 1.00 9.89 C ATOM 0 H ALA A 104 0.224 -3.657 0.079 1.00 10.38 H new ATOM 0 HA ALA A 104 2.174 -2.051 -1.312 1.00 10.01 H new ATOM 0 HB1 ALA A 104 3.608 -1.695 0.643 1.00 9.89 H new ATOM 0 HB2 ALA A 104 2.076 -0.800 0.776 1.00 9.89 H new ATOM 0 HB3 ALA A 104 2.313 -2.300 1.703 1.00 9.89 H new ATOM 1602 N ALA A 105 3.293 -4.215 -1.588 1.00 10.39 N ATOM 1603 CA ALA A 105 3.919 -5.508 -1.844 1.00 10.98 C ATOM 1604 C ALA A 105 5.315 -5.284 -2.391 1.00 10.79 C ATOM 1605 O ALA A 105 5.575 -4.232 -2.957 1.00 10.39 O ATOM 1606 CB ALA A 105 3.083 -6.316 -2.825 1.00 11.52 C ATOM 0 H ALA A 105 3.434 -3.529 -2.330 1.00 10.39 H new ATOM 0 HA ALA A 105 3.984 -6.072 -0.913 1.00 10.98 H new ATOM 0 HB1 ALA A 105 3.563 -7.278 -3.006 1.00 11.52 H new ATOM 0 HB2 ALA A 105 2.089 -6.479 -2.408 1.00 11.52 H new ATOM 0 HB3 ALA A 105 2.997 -5.771 -3.765 1.00 11.52 H new ATOM 1612 N VAL A 106 6.206 -6.258 -2.268 1.00 11.23 N ATOM 1613 CA VAL A 106 7.603 -6.014 -2.605 1.00 11.21 C ATOM 1614 C VAL A 106 7.958 -6.458 -4.012 1.00 11.93 C ATOM 1615 O VAL A 106 7.254 -7.249 -4.643 1.00 12.59 O ATOM 1616 CB VAL A 106 8.551 -6.744 -1.632 1.00 11.39 C ATOM 1617 CG1 VAL A 106 8.629 -6.009 -0.304 1.00 10.93 C ATOM 1618 CG2 VAL A 106 8.103 -8.183 -1.422 1.00 11.99 C ATOM 0 H VAL A 106 5.995 -7.203 -1.946 1.00 11.23 H new ATOM 0 HA VAL A 106 7.730 -4.934 -2.530 1.00 11.21 H new ATOM 0 HB VAL A 106 9.547 -6.757 -2.074 1.00 11.39 H new ATOM 0 HG11 VAL A 106 9.303 -6.541 0.367 1.00 10.93 H new ATOM 0 HG12 VAL A 106 9.004 -4.999 -0.469 1.00 10.93 H new ATOM 0 HG13 VAL A 106 7.636 -5.959 0.143 1.00 10.93 H new ATOM 0 HG21 VAL A 106 8.786 -8.680 -0.732 1.00 11.99 H new ATOM 0 HG22 VAL A 106 7.096 -8.193 -1.006 1.00 11.99 H new ATOM 0 HG23 VAL A 106 8.107 -8.708 -2.377 1.00 11.99 H new ATOM 1628 N ASP A 107 9.075 -5.925 -4.475 1.00 11.95 N ATOM 1629 CA ASP A 107 9.551 -6.130 -5.826 1.00 12.77 C ATOM 1630 C ASP A 107 11.037 -6.455 -5.793 1.00 13.21 C ATOM 1631 O ASP A 107 11.704 -6.234 -4.780 1.00 12.80 O ATOM 1632 CB ASP A 107 9.316 -4.866 -6.656 1.00 12.61 C ATOM 1633 CG ASP A 107 8.545 -5.134 -7.927 1.00 13.52 C ATOM 1634 OD1 ASP A 107 9.072 -5.838 -8.810 1.00 14.12 O ATOM 1635 OD2 ASP A 107 7.409 -4.629 -8.061 1.00 13.74 O ATOM 0 H ASP A 107 9.683 -5.330 -3.913 1.00 11.95 H new ATOM 0 HA ASP A 107 9.008 -6.959 -6.280 1.00 12.77 H new ATOM 0 HB2 ASP A 107 8.773 -4.138 -6.054 1.00 12.61 H new ATOM 0 HB3 ASP A 107 10.277 -4.418 -6.907 1.00 12.61 H new ATOM 1640 N TYR A 108 11.553 -6.978 -6.891 1.00 14.11 N ATOM 1641 CA TYR A 108 12.965 -7.316 -6.982 1.00 14.67 C ATOM 1642 C TYR A 108 13.626 -6.363 -7.967 1.00 15.44 C ATOM 1643 O TYR A 108 13.093 -6.127 -9.053 1.00 15.72 O ATOM 1644 CB TYR A 108 13.138 -8.782 -7.392 1.00 15.38 C ATOM 1645 CG TYR A 108 12.850 -9.759 -6.263 1.00 14.91 C ATOM 1646 CD1 TYR A 108 11.743 -9.592 -5.434 1.00 15.00 C ATOM 1647 CD2 TYR A 108 13.683 -10.842 -6.023 1.00 14.54 C ATOM 1648 CE1 TYR A 108 11.477 -10.474 -4.406 1.00 14.74 C ATOM 1649 CE2 TYR A 108 13.424 -11.728 -4.997 1.00 14.26 C ATOM 1650 CZ TYR A 108 12.318 -11.542 -4.192 1.00 14.37 C ATOM 1651 OH TYR A 108 12.059 -12.428 -3.171 1.00 14.27 O ATOM 0 H TYR A 108 11.015 -7.179 -7.734 1.00 14.11 H new ATOM 0 HA TYR A 108 13.447 -7.204 -6.011 1.00 14.67 H new ATOM 0 HB2 TYR A 108 12.475 -8.999 -8.229 1.00 15.38 H new ATOM 0 HB3 TYR A 108 14.158 -8.936 -7.745 1.00 15.38 H new ATOM 0 HD1 TYR A 108 11.080 -8.756 -5.599 1.00 15.00 H new ATOM 0 HD2 TYR A 108 14.549 -10.994 -6.650 1.00 14.54 H new ATOM 0 HE1 TYR A 108 10.614 -10.327 -3.773 1.00 14.74 H new ATOM 0 HE2 TYR A 108 14.085 -12.565 -4.824 1.00 14.26 H new ATOM 0 HH TYR A 108 12.749 -13.124 -3.159 1.00 14.27 H new ATOM 1661 N ASP A 109 14.780 -5.814 -7.599 1.00 15.88 N ATOM 1662 CA ASP A 109 15.224 -4.569 -8.222 1.00 16.70 C ATOM 1663 C ASP A 109 16.624 -4.649 -8.813 1.00 17.75 C ATOM 1664 O ASP A 109 17.183 -5.733 -8.994 1.00 17.90 O ATOM 1665 CB ASP A 109 15.126 -3.413 -7.229 1.00 16.70 C ATOM 1666 CG ASP A 109 14.658 -2.129 -7.880 1.00 17.47 C ATOM 1667 OD1 ASP A 109 13.619 -2.149 -8.569 1.00 18.07 O ATOM 1668 OD2 ASP A 109 15.334 -1.096 -7.708 1.00 17.54 O ATOM 0 H ASP A 109 15.410 -6.197 -6.894 1.00 15.88 H new ATOM 0 HA ASP A 109 14.551 -4.389 -9.061 1.00 16.70 H new ATOM 0 HB2 ASP A 109 14.437 -3.683 -6.429 1.00 16.70 H new ATOM 0 HB3 ASP A 109 16.101 -3.249 -6.769 1.00 16.70 H new ATOM 1673 N ARG A 110 17.191 -3.472 -9.081 1.00 18.56 N ATOM 1674 CA ARG A 110 18.432 -3.312 -9.841 1.00 19.67 C ATOM 1675 C ARG A 110 19.649 -3.867 -9.099 1.00 20.06 C ATOM 1676 O ARG A 110 20.763 -3.831 -9.613 1.00 20.72 O ATOM 1677 CB ARG A 110 18.664 -1.835 -10.165 1.00 20.52 C ATOM 1678 CG ARG A 110 17.442 -1.128 -10.728 1.00 20.56 C ATOM 1679 CD ARG A 110 17.107 0.120 -9.926 1.00 20.89 C ATOM 1680 NE ARG A 110 16.328 1.078 -10.706 1.00 21.05 N ATOM 1681 CZ ARG A 110 15.067 1.409 -10.433 1.00 21.24 C ATOM 1682 NH1 ARG A 110 14.430 0.858 -9.406 1.00 21.27 N ATOM 1683 NH2 ARG A 110 14.437 2.287 -11.199 1.00 21.49 N ATOM 0 H ARG A 110 16.793 -2.586 -8.770 1.00 18.56 H new ATOM 0 HA ARG A 110 18.316 -3.885 -10.761 1.00 19.67 H new ATOM 0 HB2 ARG A 110 18.984 -1.320 -9.259 1.00 20.52 H new ATOM 0 HB3 ARG A 110 19.481 -1.755 -10.882 1.00 20.52 H new ATOM 0 HG2 ARG A 110 17.623 -0.857 -11.768 1.00 20.56 H new ATOM 0 HG3 ARG A 110 16.590 -1.808 -10.720 1.00 20.56 H new ATOM 0 HD2 ARG A 110 16.548 -0.162 -9.034 1.00 20.89 H new ATOM 0 HD3 ARG A 110 18.029 0.592 -9.588 1.00 20.89 H new ATOM 0 HE ARG A 110 16.777 1.520 -11.508 1.00 21.05 H new ATOM 0 HH11 ARG A 110 14.906 0.174 -8.818 1.00 21.27 H new ATOM 0 HH12 ARG A 110 13.464 1.118 -9.206 1.00 21.27 H new ATOM 0 HH21 ARG A 110 14.918 2.707 -11.995 1.00 21.49 H new ATOM 0 HH22 ARG A 110 13.471 2.543 -10.993 1.00 21.49 H new ATOM 1697 N SER A 111 19.441 -4.392 -7.904 1.00 19.71 N ATOM 1698 CA SER A 111 20.560 -4.744 -7.046 1.00 20.09 C ATOM 1699 C SER A 111 20.790 -6.249 -7.109 1.00 19.34 C ATOM 1700 O SER A 111 21.604 -6.807 -6.370 1.00 19.58 O ATOM 1701 CB SER A 111 20.305 -4.286 -5.610 1.00 20.36 C ATOM 1702 OG SER A 111 19.916 -2.920 -5.576 1.00 20.33 O ATOM 0 H SER A 111 18.520 -4.582 -7.509 1.00 19.71 H new ATOM 0 HA SER A 111 21.457 -4.235 -7.397 1.00 20.09 H new ATOM 0 HB2 SER A 111 19.526 -4.902 -5.160 1.00 20.36 H new ATOM 0 HB3 SER A 111 21.206 -4.427 -5.013 1.00 20.36 H new ATOM 0 HG SER A 111 20.063 -2.560 -4.676 1.00 20.33 H new ATOM 1708 N GLY A 112 20.068 -6.895 -8.016 1.00 18.52 N ATOM 1709 CA GLY A 112 20.221 -8.315 -8.207 1.00 17.87 C ATOM 1710 C GLY A 112 18.944 -9.093 -7.982 1.00 17.53 C ATOM 1711 O GLY A 112 18.603 -9.960 -8.787 1.00 17.59 O ATOM 0 H GLY A 112 19.377 -6.454 -8.623 1.00 18.52 H new ATOM 0 HA2 GLY A 112 20.577 -8.501 -9.220 1.00 17.87 H new ATOM 0 HA3 GLY A 112 20.988 -8.685 -7.526 1.00 17.87 H new ATOM 1715 N ARG A 113 18.209 -8.757 -6.924 1.00 17.30 N ATOM 1716 CA ARG A 113 17.109 -9.589 -6.456 1.00 17.14 C ATOM 1717 C ARG A 113 16.325 -8.835 -5.389 1.00 16.20 C ATOM 1718 O ARG A 113 15.643 -7.858 -5.696 1.00 16.37 O ATOM 1719 CB ARG A 113 17.623 -10.928 -5.894 1.00 17.48 C ATOM 1720 CG ARG A 113 17.710 -12.047 -6.919 1.00 18.02 C ATOM 1721 CD ARG A 113 16.394 -12.243 -7.651 1.00 18.53 C ATOM 1722 NE ARG A 113 15.769 -13.520 -7.322 1.00 18.76 N ATOM 1723 CZ ARG A 113 14.837 -14.107 -8.071 1.00 19.39 C ATOM 1724 NH1 ARG A 113 14.392 -13.514 -9.174 1.00 19.85 N ATOM 1725 NH2 ARG A 113 14.346 -15.284 -7.707 1.00 19.68 N ATOM 0 H ARG A 113 18.358 -7.911 -6.375 1.00 17.30 H new ATOM 0 HA ARG A 113 16.457 -9.812 -7.300 1.00 17.14 H new ATOM 0 HB2 ARG A 113 18.611 -10.771 -5.461 1.00 17.48 H new ATOM 0 HB3 ARG A 113 16.966 -11.244 -5.084 1.00 17.48 H new ATOM 0 HG2 ARG A 113 18.496 -11.820 -7.639 1.00 18.02 H new ATOM 0 HG3 ARG A 113 17.991 -12.975 -6.421 1.00 18.02 H new ATOM 0 HD2 ARG A 113 15.713 -11.430 -7.397 1.00 18.53 H new ATOM 0 HD3 ARG A 113 16.566 -12.190 -8.726 1.00 18.53 H new ATOM 0 HE ARG A 113 16.064 -13.992 -6.467 1.00 18.76 H new ATOM 0 HH11 ARG A 113 14.764 -12.605 -9.450 1.00 19.85 H new ATOM 0 HH12 ARG A 113 13.678 -13.967 -9.744 1.00 19.85 H new ATOM 0 HH21 ARG A 113 14.682 -15.736 -6.857 1.00 19.68 H new ATOM 0 HH22 ARG A 113 13.632 -15.737 -8.277 1.00 19.68 H new ATOM 1739 N SER A 114 16.458 -9.241 -4.131 1.00 15.31 N ATOM 1740 CA SER A 114 15.679 -8.656 -3.061 1.00 14.46 C ATOM 1741 C SER A 114 16.449 -7.517 -2.405 1.00 13.60 C ATOM 1742 O SER A 114 17.679 -7.471 -2.451 1.00 13.37 O ATOM 1743 CB SER A 114 15.331 -9.729 -2.032 1.00 14.66 C ATOM 1744 OG SER A 114 15.689 -11.019 -2.503 1.00 15.43 O ATOM 0 H SER A 114 17.101 -9.975 -3.833 1.00 15.31 H new ATOM 0 HA SER A 114 14.756 -8.249 -3.474 1.00 14.46 H new ATOM 0 HB2 SER A 114 15.850 -9.523 -1.096 1.00 14.66 H new ATOM 0 HB3 SER A 114 14.263 -9.700 -1.817 1.00 14.66 H new ATOM 0 HG SER A 114 15.078 -11.286 -3.221 1.00 15.43 H new ATOM 1750 N LEU A 115 15.706 -6.609 -1.796 1.00 13.29 N ATOM 1751 CA LEU A 115 16.270 -5.396 -1.201 1.00 12.67 C ATOM 1752 C LEU A 115 15.205 -4.668 -0.398 1.00 11.82 C ATOM 1753 O LEU A 115 15.492 -3.718 0.322 1.00 11.50 O ATOM 1754 CB LEU A 115 16.842 -4.440 -2.259 1.00 13.13 C ATOM 1755 CG LEU A 115 16.414 -4.681 -3.713 1.00 13.71 C ATOM 1756 CD1 LEU A 115 14.901 -4.643 -3.863 1.00 13.79 C ATOM 1757 CD2 LEU A 115 17.057 -3.645 -4.611 1.00 14.34 C ATOM 0 H LEU A 115 14.694 -6.686 -1.697 1.00 13.29 H new ATOM 0 HA LEU A 115 17.088 -5.709 -0.552 1.00 12.67 H new ATOM 0 HB2 LEU A 115 16.560 -3.423 -1.986 1.00 13.13 H new ATOM 0 HB3 LEU A 115 17.930 -4.493 -2.212 1.00 13.13 H new ATOM 0 HG LEU A 115 16.749 -5.676 -4.007 1.00 13.71 H new ATOM 0 HD11 LEU A 115 14.634 -4.817 -4.905 1.00 13.79 H new ATOM 0 HD12 LEU A 115 14.454 -5.417 -3.240 1.00 13.79 H new ATOM 0 HD13 LEU A 115 14.529 -3.667 -3.552 1.00 13.79 H new ATOM 0 HD21 LEU A 115 16.752 -3.818 -5.643 1.00 14.34 H new ATOM 0 HD22 LEU A 115 16.741 -2.649 -4.301 1.00 14.34 H new ATOM 0 HD23 LEU A 115 18.142 -3.721 -4.536 1.00 14.34 H new ATOM 1769 N GLY A 116 13.965 -5.097 -0.574 1.00 11.63 N ATOM 1770 CA GLY A 116 12.880 -4.569 0.216 1.00 10.96 C ATOM 1771 C GLY A 116 12.005 -3.629 -0.575 1.00 10.62 C ATOM 1772 O GLY A 116 10.851 -3.420 -0.211 1.00 10.23 O ATOM 0 H GLY A 116 13.692 -5.806 -1.255 1.00 11.63 H new ATOM 0 HA2 GLY A 116 12.275 -5.392 0.596 1.00 10.96 H new ATOM 0 HA3 GLY A 116 13.285 -4.044 1.082 1.00 10.96 H new ATOM 1776 N THR A 117 12.588 -3.001 -1.606 1.00 10.92 N ATOM 1777 CA THR A 117 11.824 -2.291 -2.635 1.00 10.75 C ATOM 1778 C THR A 117 10.425 -2.861 -2.821 1.00 10.46 C ATOM 1779 O THR A 117 10.246 -4.072 -2.955 1.00 10.80 O ATOM 1780 CB THR A 117 12.577 -2.307 -3.979 1.00 11.45 C ATOM 1781 OG1 THR A 117 13.897 -1.780 -3.788 1.00 12.11 O ATOM 1782 CG2 THR A 117 11.852 -1.488 -5.037 1.00 11.71 C ATOM 0 H THR A 117 13.598 -2.972 -1.748 1.00 10.92 H new ATOM 0 HA THR A 117 11.716 -1.263 -2.289 1.00 10.75 H new ATOM 0 HB THR A 117 12.627 -3.338 -4.328 1.00 11.45 H new ATOM 0 HG1 THR A 117 14.380 -1.790 -4.641 1.00 12.11 H new ATOM 0 HG21 THR A 117 12.413 -1.523 -5.971 1.00 11.71 H new ATOM 0 HG22 THR A 117 10.855 -1.900 -5.196 1.00 11.71 H new ATOM 0 HG23 THR A 117 11.768 -0.454 -4.702 1.00 11.71 H new ATOM 1790 N ALA A 118 9.438 -1.977 -2.844 1.00 9.99 N ATOM 1791 CA ALA A 118 8.051 -2.386 -2.819 1.00 9.78 C ATOM 1792 C ALA A 118 7.166 -1.359 -3.509 1.00 9.60 C ATOM 1793 O ALA A 118 7.577 -0.208 -3.728 1.00 9.55 O ATOM 1794 CB ALA A 118 7.596 -2.583 -1.382 1.00 9.47 C ATOM 0 H ALA A 118 9.579 -0.967 -2.880 1.00 9.99 H new ATOM 0 HA ALA A 118 7.962 -3.329 -3.359 1.00 9.78 H new ATOM 0 HB1 ALA A 118 6.550 -2.891 -1.370 1.00 9.47 H new ATOM 0 HB2 ALA A 118 8.206 -3.353 -0.909 1.00 9.47 H new ATOM 0 HB3 ALA A 118 7.705 -1.647 -0.834 1.00 9.47 H new ATOM 1800 N ASP A 119 5.958 -1.805 -3.841 1.00 9.67 N ATOM 1801 CA ASP A 119 4.922 -0.959 -4.412 1.00 9.53 C ATOM 1802 C ASP A 119 3.875 -0.658 -3.352 1.00 9.23 C ATOM 1803 O ASP A 119 3.153 -1.551 -2.909 1.00 9.46 O ATOM 1804 CB ASP A 119 4.251 -1.652 -5.602 1.00 10.06 C ATOM 1805 CG ASP A 119 2.951 -0.979 -6.011 1.00 10.01 C ATOM 1806 OD1 ASP A 119 3.014 0.031 -6.729 1.00 9.84 O ATOM 1807 OD2 ASP A 119 1.863 -1.462 -5.622 1.00 10.21 O ATOM 0 H ASP A 119 5.670 -2.776 -3.719 1.00 9.67 H new ATOM 0 HA ASP A 119 5.381 -0.033 -4.759 1.00 9.53 H new ATOM 0 HB2 ASP A 119 4.936 -1.656 -6.450 1.00 10.06 H new ATOM 0 HB3 ASP A 119 4.053 -2.693 -5.347 1.00 10.06 H new ATOM 1812 N VAL A 120 3.827 0.585 -2.925 1.00 8.97 N ATOM 1813 CA VAL A 120 2.859 1.034 -1.963 1.00 8.93 C ATOM 1814 C VAL A 120 1.751 1.822 -2.652 1.00 8.97 C ATOM 1815 O VAL A 120 2.024 2.739 -3.415 1.00 9.03 O ATOM 1816 CB VAL A 120 3.575 1.925 -0.953 1.00 9.02 C ATOM 1817 CG1 VAL A 120 2.600 2.546 -0.003 1.00 9.07 C ATOM 1818 CG2 VAL A 120 4.632 1.128 -0.225 1.00 9.06 C ATOM 0 H VAL A 120 4.466 1.314 -3.242 1.00 8.97 H new ATOM 0 HA VAL A 120 2.407 0.177 -1.464 1.00 8.93 H new ATOM 0 HB VAL A 120 4.068 2.739 -1.484 1.00 9.02 H new ATOM 0 HG11 VAL A 120 3.135 3.177 0.707 1.00 9.07 H new ATOM 0 HG12 VAL A 120 1.885 3.152 -0.560 1.00 9.07 H new ATOM 0 HG13 VAL A 120 2.068 1.762 0.537 1.00 9.07 H new ATOM 0 HG21 VAL A 120 5.140 1.770 0.495 1.00 9.06 H new ATOM 0 HG22 VAL A 120 4.163 0.295 0.299 1.00 9.06 H new ATOM 0 HG23 VAL A 120 5.357 0.744 -0.943 1.00 9.06 H new ATOM 1828 N HIS A 121 0.499 1.468 -2.404 1.00 9.13 N ATOM 1829 CA HIS A 121 -0.599 2.129 -3.077 1.00 9.24 C ATOM 1830 C HIS A 121 -1.582 2.736 -2.083 1.00 9.55 C ATOM 1831 O HIS A 121 -2.079 2.047 -1.186 1.00 9.80 O ATOM 1832 CB HIS A 121 -1.316 1.129 -3.983 1.00 9.38 C ATOM 1833 CG HIS A 121 -0.981 1.292 -5.436 1.00 9.45 C ATOM 1834 ND1 HIS A 121 -0.097 0.473 -6.111 1.00 9.62 N ATOM 1835 CD2 HIS A 121 -1.429 2.188 -6.347 1.00 9.62 C ATOM 1836 CE1 HIS A 121 -0.022 0.860 -7.371 1.00 9.94 C ATOM 1837 NE2 HIS A 121 -0.820 1.898 -7.541 1.00 9.93 N ATOM 0 H HIS A 121 0.224 0.736 -1.749 1.00 9.13 H new ATOM 0 HA HIS A 121 -0.192 2.944 -3.676 1.00 9.24 H new ATOM 0 HB2 HIS A 121 -1.058 0.117 -3.670 1.00 9.38 H new ATOM 0 HB3 HIS A 121 -2.393 1.239 -3.852 1.00 9.38 H new ATOM 0 HD1 HIS A 121 0.416 -0.307 -5.701 1.00 9.62 H new ATOM 0 HD2 HIS A 121 -2.136 2.984 -6.167 1.00 9.62 H new ATOM 0 HE1 HIS A 121 0.590 0.404 -8.135 1.00 9.94 H new ATOM 1846 N PHE A 122 -1.841 4.034 -2.240 1.00 9.77 N ATOM 1847 CA PHE A 122 -2.863 4.725 -1.457 1.00 10.32 C ATOM 1848 C PHE A 122 -3.850 5.409 -2.397 1.00 10.49 C ATOM 1849 O PHE A 122 -3.572 5.567 -3.586 1.00 10.27 O ATOM 1850 CB PHE A 122 -2.279 5.781 -0.492 1.00 10.72 C ATOM 1851 CG PHE A 122 -0.775 5.838 -0.374 1.00 10.49 C ATOM 1852 CD1 PHE A 122 0.033 6.046 -1.482 1.00 10.41 C ATOM 1853 CD2 PHE A 122 -0.174 5.710 0.868 1.00 10.52 C ATOM 1854 CE1 PHE A 122 1.406 6.116 -1.353 1.00 10.34 C ATOM 1855 CE2 PHE A 122 1.198 5.783 1.002 1.00 10.36 C ATOM 1856 CZ PHE A 122 1.989 5.985 -0.109 1.00 10.28 C ATOM 0 H PHE A 122 -1.353 4.631 -2.908 1.00 9.77 H new ATOM 0 HA PHE A 122 -3.358 3.967 -0.850 1.00 10.32 H new ATOM 0 HB2 PHE A 122 -2.632 6.762 -0.808 1.00 10.72 H new ATOM 0 HB3 PHE A 122 -2.691 5.599 0.501 1.00 10.72 H new ATOM 0 HD1 PHE A 122 -0.417 6.155 -2.458 1.00 10.41 H new ATOM 0 HD2 PHE A 122 -0.787 5.551 1.743 1.00 10.52 H new ATOM 0 HE1 PHE A 122 2.023 6.273 -2.225 1.00 10.34 H new ATOM 0 HE2 PHE A 122 1.652 5.682 1.977 1.00 10.36 H new ATOM 0 HZ PHE A 122 3.063 6.041 -0.006 1.00 10.28 H new ATOM 1866 N GLU A 123 -5.007 5.791 -1.868 1.00 11.02 N ATOM 1867 CA GLU A 123 -6.018 6.495 -2.654 1.00 11.27 C ATOM 1868 C GLU A 123 -5.703 7.986 -2.755 1.00 11.67 C ATOM 1869 O GLU A 123 -6.254 8.687 -3.600 1.00 11.87 O ATOM 1870 CB GLU A 123 -7.422 6.306 -2.061 1.00 11.83 C ATOM 1871 CG GLU A 123 -7.454 5.525 -0.756 1.00 11.97 C ATOM 1872 CD GLU A 123 -7.020 6.356 0.433 1.00 12.34 C ATOM 1873 OE1 GLU A 123 -5.807 6.372 0.737 1.00 12.45 O ATOM 1874 OE2 GLU A 123 -7.884 6.989 1.072 1.00 12.67 O ATOM 0 H GLU A 123 -5.270 5.625 -0.897 1.00 11.02 H new ATOM 0 HA GLU A 123 -5.999 6.062 -3.654 1.00 11.27 H new ATOM 0 HB2 GLU A 123 -7.868 7.287 -1.894 1.00 11.83 H new ATOM 0 HB3 GLU A 123 -8.046 5.793 -2.793 1.00 11.83 H new ATOM 0 HG2 GLU A 123 -8.464 5.153 -0.585 1.00 11.97 H new ATOM 0 HG3 GLU A 123 -6.804 4.654 -0.842 1.00 11.97 H new ATOM 1881 N ARG A 124 -4.819 8.469 -1.888 1.00 11.93 N ATOM 1882 CA ARG A 124 -4.524 9.896 -1.805 1.00 12.58 C ATOM 1883 C ARG A 124 -3.152 10.201 -2.383 1.00 12.40 C ATOM 1884 O ARG A 124 -2.192 9.476 -2.131 1.00 12.05 O ATOM 1885 CB ARG A 124 -4.565 10.363 -0.354 1.00 13.34 C ATOM 1886 CG ARG A 124 -5.895 10.118 0.332 1.00 13.64 C ATOM 1887 CD ARG A 124 -5.703 9.533 1.720 1.00 14.19 C ATOM 1888 NE ARG A 124 -6.974 9.163 2.334 1.00 14.36 N ATOM 1889 CZ ARG A 124 -7.620 9.915 3.224 1.00 14.72 C ATOM 1890 NH1 ARG A 124 -7.096 11.064 3.634 1.00 14.94 N ATOM 1891 NH2 ARG A 124 -8.786 9.512 3.711 1.00 15.04 N ATOM 0 H ARG A 124 -4.293 7.892 -1.231 1.00 11.93 H new ATOM 0 HA ARG A 124 -5.281 10.425 -2.383 1.00 12.58 H new ATOM 0 HB2 ARG A 124 -3.780 9.853 0.204 1.00 13.34 H new ATOM 0 HB3 ARG A 124 -4.340 11.429 -0.319 1.00 13.34 H new ATOM 0 HG2 ARG A 124 -6.447 11.055 0.404 1.00 13.64 H new ATOM 0 HG3 ARG A 124 -6.497 9.438 -0.271 1.00 13.64 H new ATOM 0 HD2 ARG A 124 -5.060 8.655 1.658 1.00 14.19 H new ATOM 0 HD3 ARG A 124 -5.192 10.259 2.352 1.00 14.19 H new ATOM 0 HE ARG A 124 -7.394 8.273 2.065 1.00 14.36 H new ATOM 0 HH11 ARG A 124 -6.196 11.374 3.267 1.00 14.94 H new ATOM 0 HH12 ARG A 124 -7.594 11.637 4.316 1.00 14.94 H new ATOM 0 HH21 ARG A 124 -9.188 8.626 3.404 1.00 15.04 H new ATOM 0 HH22 ARG A 124 -9.281 10.088 4.392 1.00 15.04 H new ATOM 1905 N ARG A 125 -3.051 11.288 -3.140 1.00 12.78 N ATOM 1906 CA ARG A 125 -1.791 11.665 -3.756 1.00 12.90 C ATOM 1907 C ARG A 125 -0.925 12.477 -2.793 1.00 13.56 C ATOM 1908 O ARG A 125 0.287 12.291 -2.753 1.00 13.55 O ATOM 1909 CB ARG A 125 -2.032 12.447 -5.054 1.00 13.36 C ATOM 1910 CG ARG A 125 -2.999 13.612 -4.910 1.00 13.29 C ATOM 1911 CD ARG A 125 -4.340 13.316 -5.562 1.00 13.69 C ATOM 1912 NE ARG A 125 -5.439 13.423 -4.602 1.00 14.28 N ATOM 1913 CZ ARG A 125 -6.091 12.377 -4.097 1.00 14.61 C ATOM 1914 NH1 ARG A 125 -5.849 11.157 -4.558 1.00 14.43 N ATOM 1915 NH2 ARG A 125 -7.008 12.556 -3.156 1.00 15.26 N ATOM 0 H ARG A 125 -3.826 11.920 -3.340 1.00 12.78 H new ATOM 0 HA ARG A 125 -1.254 10.749 -4.000 1.00 12.90 H new ATOM 0 HB2 ARG A 125 -1.077 12.825 -5.420 1.00 13.36 H new ATOM 0 HB3 ARG A 125 -2.415 11.763 -5.811 1.00 13.36 H new ATOM 0 HG2 ARG A 125 -3.149 13.831 -3.853 1.00 13.29 H new ATOM 0 HG3 ARG A 125 -2.564 14.504 -5.362 1.00 13.29 H new ATOM 0 HD2 ARG A 125 -4.506 14.010 -6.386 1.00 13.69 H new ATOM 0 HD3 ARG A 125 -4.325 12.313 -5.989 1.00 13.69 H new ATOM 0 HE ARG A 125 -5.723 14.355 -4.301 1.00 14.28 H new ATOM 0 HH11 ARG A 125 -5.163 11.019 -5.300 1.00 14.43 H new ATOM 0 HH12 ARG A 125 -6.349 10.357 -4.170 1.00 14.43 H new ATOM 0 HH21 ARG A 125 -7.215 13.496 -2.818 1.00 15.26 H new ATOM 0 HH22 ARG A 125 -7.506 11.754 -2.770 1.00 15.26 H new ATOM 1929 N ALA A 126 -1.536 13.381 -2.024 1.00 14.24 N ATOM 1930 CA ALA A 126 -0.794 14.179 -1.046 1.00 15.01 C ATOM 1931 C ALA A 126 -0.162 13.301 0.027 1.00 14.54 C ATOM 1932 O ALA A 126 0.982 13.514 0.415 1.00 14.95 O ATOM 1933 CB ALA A 126 -1.695 15.217 -0.402 1.00 15.90 C ATOM 0 H ALA A 126 -2.536 13.578 -2.059 1.00 14.24 H new ATOM 0 HA ALA A 126 0.006 14.689 -1.583 1.00 15.01 H new ATOM 0 HB1 ALA A 126 -1.122 15.798 0.321 1.00 15.90 H new ATOM 0 HB2 ALA A 126 -2.091 15.882 -1.170 1.00 15.90 H new ATOM 0 HB3 ALA A 126 -2.520 14.718 0.106 1.00 15.90 H new ATOM 1939 N ASP A 127 -0.924 12.328 0.512 1.00 13.75 N ATOM 1940 CA ASP A 127 -0.407 11.355 1.478 1.00 13.28 C ATOM 1941 C ASP A 127 0.831 10.660 0.925 1.00 12.77 C ATOM 1942 O ASP A 127 1.770 10.347 1.660 1.00 12.74 O ATOM 1943 CB ASP A 127 -1.469 10.315 1.837 1.00 12.65 C ATOM 1944 CG ASP A 127 -1.749 10.271 3.327 1.00 13.12 C ATOM 1945 OD1 ASP A 127 -0.791 10.358 4.127 1.00 13.24 O ATOM 1946 OD2 ASP A 127 -2.932 10.168 3.706 1.00 13.51 O ATOM 0 H ASP A 127 -1.901 12.188 0.255 1.00 13.75 H new ATOM 0 HA ASP A 127 -0.137 11.898 2.384 1.00 13.28 H new ATOM 0 HB2 ASP A 127 -2.392 10.541 1.302 1.00 12.65 H new ATOM 0 HB3 ASP A 127 -1.139 9.331 1.502 1.00 12.65 H new ATOM 1951 N ALA A 128 0.838 10.463 -0.385 1.00 12.51 N ATOM 1952 CA ALA A 128 1.968 9.853 -1.058 1.00 12.26 C ATOM 1953 C ALA A 128 3.088 10.878 -1.212 1.00 13.19 C ATOM 1954 O ALA A 128 4.260 10.572 -1.023 1.00 13.28 O ATOM 1955 CB ALA A 128 1.542 9.308 -2.416 1.00 11.90 C ATOM 0 H ALA A 128 0.068 10.719 -1.003 1.00 12.51 H new ATOM 0 HA ALA A 128 2.337 9.020 -0.460 1.00 12.26 H new ATOM 0 HB1 ALA A 128 2.400 8.853 -2.911 1.00 11.90 H new ATOM 0 HB2 ALA A 128 0.762 8.559 -2.279 1.00 11.90 H new ATOM 0 HB3 ALA A 128 1.159 10.122 -3.031 1.00 11.90 H new ATOM 1961 N LEU A 129 2.700 12.103 -1.544 1.00 13.95 N ATOM 1962 CA LEU A 129 3.646 13.201 -1.695 1.00 15.01 C ATOM 1963 C LEU A 129 4.380 13.445 -0.384 1.00 15.35 C ATOM 1964 O LEU A 129 5.603 13.577 -0.362 1.00 15.80 O ATOM 1965 CB LEU A 129 2.934 14.478 -2.148 1.00 15.79 C ATOM 1966 CG LEU A 129 3.859 15.656 -2.459 1.00 17.00 C ATOM 1967 CD1 LEU A 129 3.514 16.266 -3.808 1.00 17.52 C ATOM 1968 CD2 LEU A 129 3.774 16.702 -1.359 1.00 17.74 C ATOM 0 H LEU A 129 1.728 12.362 -1.715 1.00 13.95 H new ATOM 0 HA LEU A 129 4.370 12.925 -2.461 1.00 15.01 H new ATOM 0 HB2 LEU A 129 2.346 14.252 -3.037 1.00 15.79 H new ATOM 0 HB3 LEU A 129 2.233 14.781 -1.370 1.00 15.79 H new ATOM 0 HG LEU A 129 4.884 15.287 -2.505 1.00 17.00 H new ATOM 0 HD11 LEU A 129 4.183 17.102 -4.011 1.00 17.52 H new ATOM 0 HD12 LEU A 129 3.628 15.513 -4.588 1.00 17.52 H new ATOM 0 HD13 LEU A 129 2.483 16.621 -3.794 1.00 17.52 H new ATOM 0 HD21 LEU A 129 4.438 17.533 -1.595 1.00 17.74 H new ATOM 0 HD22 LEU A 129 2.750 17.066 -1.282 1.00 17.74 H new ATOM 0 HD23 LEU A 129 4.073 16.257 -0.410 1.00 17.74 H new ATOM 1980 N LYS A 130 3.626 13.485 0.707 1.00 15.21 N ATOM 1981 CA LYS A 130 4.202 13.618 2.034 1.00 15.60 C ATOM 1982 C LYS A 130 5.136 12.447 2.302 1.00 14.90 C ATOM 1983 O LYS A 130 6.224 12.615 2.838 1.00 15.34 O ATOM 1984 CB LYS A 130 3.094 13.669 3.095 1.00 15.68 C ATOM 1985 CG LYS A 130 3.458 12.979 4.402 1.00 15.55 C ATOM 1986 CD LYS A 130 2.297 12.156 4.944 1.00 15.23 C ATOM 1987 CE LYS A 130 2.533 10.666 4.762 1.00 15.09 C ATOM 1988 NZ LYS A 130 1.489 9.850 5.442 1.00 15.23 N ATOM 0 H LYS A 130 2.608 13.427 0.696 1.00 15.21 H new ATOM 0 HA LYS A 130 4.769 14.548 2.086 1.00 15.60 H new ATOM 0 HB2 LYS A 130 2.850 14.711 3.302 1.00 15.68 H new ATOM 0 HB3 LYS A 130 2.195 13.206 2.689 1.00 15.68 H new ATOM 0 HG2 LYS A 130 4.321 12.332 4.244 1.00 15.55 H new ATOM 0 HG3 LYS A 130 3.750 13.726 5.140 1.00 15.55 H new ATOM 0 HD2 LYS A 130 2.157 12.376 6.002 1.00 15.23 H new ATOM 0 HD3 LYS A 130 1.377 12.444 4.435 1.00 15.23 H new ATOM 0 HE2 LYS A 130 2.544 10.428 3.698 1.00 15.09 H new ATOM 0 HE3 LYS A 130 3.514 10.403 5.158 1.00 15.09 H new ATOM 0 HZ1 LYS A 130 1.899 8.943 5.743 1.00 15.23 H new ATOM 0 HZ2 LYS A 130 1.135 10.363 6.274 1.00 15.23 H new ATOM 0 HZ3 LYS A 130 0.703 9.673 4.784 1.00 15.23 H new ATOM 2002 N ALA A 131 4.704 11.266 1.887 1.00 13.87 N ATOM 2003 CA ALA A 131 5.475 10.061 2.076 1.00 13.19 C ATOM 2004 C ALA A 131 6.812 10.153 1.351 1.00 13.49 C ATOM 2005 O ALA A 131 7.868 9.870 1.924 1.00 13.49 O ATOM 2006 CB ALA A 131 4.695 8.841 1.612 1.00 12.14 C ATOM 0 H ALA A 131 3.812 11.123 1.413 1.00 13.87 H new ATOM 0 HA ALA A 131 5.674 9.952 3.142 1.00 13.19 H new ATOM 0 HB1 ALA A 131 5.297 7.945 1.764 1.00 12.14 H new ATOM 0 HB2 ALA A 131 3.772 8.760 2.185 1.00 12.14 H new ATOM 0 HB3 ALA A 131 4.457 8.942 0.553 1.00 12.14 H new ATOM 2012 N MET A 132 6.762 10.605 0.106 1.00 13.87 N ATOM 2013 CA MET A 132 7.936 10.633 -0.745 1.00 14.40 C ATOM 2014 C MET A 132 8.800 11.854 -0.457 1.00 15.49 C ATOM 2015 O MET A 132 9.913 11.960 -0.958 1.00 16.00 O ATOM 2016 CB MET A 132 7.524 10.597 -2.223 1.00 14.59 C ATOM 2017 CG MET A 132 7.275 11.966 -2.838 1.00 15.65 C ATOM 2018 SD MET A 132 7.860 12.082 -4.541 1.00 16.00 S ATOM 2019 CE MET A 132 9.635 12.004 -4.297 1.00 15.55 C ATOM 0 H MET A 132 5.914 10.959 -0.336 1.00 13.87 H new ATOM 0 HA MET A 132 8.532 9.747 -0.527 1.00 14.40 H new ATOM 0 HB2 MET A 132 8.304 10.092 -2.793 1.00 14.59 H new ATOM 0 HB3 MET A 132 6.619 9.998 -2.321 1.00 14.59 H new ATOM 0 HG2 MET A 132 6.207 12.184 -2.809 1.00 15.65 H new ATOM 0 HG3 MET A 132 7.772 12.726 -2.235 1.00 15.65 H new ATOM 0 HE1 MET A 132 10.100 11.526 -5.159 1.00 15.55 H new ATOM 0 HE2 MET A 132 10.031 13.013 -4.184 1.00 15.55 H new ATOM 0 HE3 MET A 132 9.854 11.425 -3.400 1.00 15.55 H new ATOM 2029 N LYS A 133 8.284 12.806 0.312 1.00 15.95 N ATOM 2030 CA LYS A 133 9.099 13.927 0.750 1.00 17.04 C ATOM 2031 C LYS A 133 9.670 13.665 2.133 1.00 16.95 C ATOM 2032 O LYS A 133 10.874 13.781 2.353 1.00 17.55 O ATOM 2033 CB LYS A 133 8.265 15.212 0.775 1.00 17.76 C ATOM 2034 CG LYS A 133 8.482 16.105 -0.436 1.00 18.70 C ATOM 2035 CD LYS A 133 7.878 15.495 -1.691 1.00 18.27 C ATOM 2036 CE LYS A 133 8.435 16.134 -2.950 1.00 18.99 C ATOM 2037 NZ LYS A 133 9.918 16.260 -2.907 1.00 19.60 N ATOM 0 H LYS A 133 7.318 12.823 0.640 1.00 15.95 H new ATOM 0 HA LYS A 133 9.921 14.045 0.045 1.00 17.04 H new ATOM 0 HB2 LYS A 133 7.209 14.948 0.836 1.00 17.76 H new ATOM 0 HB3 LYS A 133 8.506 15.774 1.677 1.00 17.76 H new ATOM 0 HG2 LYS A 133 8.036 17.083 -0.254 1.00 18.70 H new ATOM 0 HG3 LYS A 133 9.550 16.265 -0.585 1.00 18.70 H new ATOM 0 HD2 LYS A 133 8.078 14.424 -1.707 1.00 18.27 H new ATOM 0 HD3 LYS A 133 6.795 15.617 -1.670 1.00 18.27 H new ATOM 0 HE2 LYS A 133 8.148 15.538 -3.816 1.00 18.99 H new ATOM 0 HE3 LYS A 133 7.992 17.121 -3.081 1.00 18.99 H new ATOM 0 HZ1 LYS A 133 10.298 16.220 -3.874 1.00 19.60 H new ATOM 0 HZ2 LYS A 133 10.177 17.168 -2.470 1.00 19.60 H new ATOM 0 HZ3 LYS A 133 10.317 15.480 -2.346 1.00 19.60 H new ATOM 2051 N GLN A 134 8.789 13.304 3.054 1.00 16.27 N ATOM 2052 CA GLN A 134 9.156 13.136 4.454 1.00 16.27 C ATOM 2053 C GLN A 134 10.189 12.039 4.652 1.00 15.45 C ATOM 2054 O GLN A 134 11.261 12.285 5.202 1.00 15.79 O ATOM 2055 CB GLN A 134 7.914 12.834 5.297 1.00 16.14 C ATOM 2056 CG GLN A 134 7.608 13.892 6.347 1.00 17.25 C ATOM 2057 CD GLN A 134 8.305 15.210 6.076 1.00 18.04 C ATOM 2058 OE1 GLN A 134 9.286 15.553 6.738 1.00 18.75 O ATOM 2059 NE2 GLN A 134 7.812 15.955 5.100 1.00 18.01 N ATOM 0 H GLN A 134 7.806 13.120 2.855 1.00 16.27 H new ATOM 0 HA GLN A 134 9.604 14.075 4.781 1.00 16.27 H new ATOM 0 HB2 GLN A 134 7.054 12.734 4.635 1.00 16.14 H new ATOM 0 HB3 GLN A 134 8.049 11.873 5.793 1.00 16.14 H new ATOM 0 HG2 GLN A 134 6.531 14.057 6.386 1.00 17.25 H new ATOM 0 HG3 GLN A 134 7.909 13.522 7.327 1.00 17.25 H new ATOM 0 HE21 GLN A 134 6.998 15.635 4.575 1.00 18.01 H new ATOM 0 HE22 GLN A 134 8.246 16.849 4.872 1.00 18.01 H new ATOM 2068 N TYR A 135 9.881 10.835 4.197 1.00 14.42 N ATOM 2069 CA TYR A 135 10.727 9.688 4.502 1.00 13.63 C ATOM 2070 C TYR A 135 11.881 9.562 3.511 1.00 13.70 C ATOM 2071 O TYR A 135 12.851 8.848 3.763 1.00 13.69 O ATOM 2072 CB TYR A 135 9.886 8.408 4.536 1.00 12.62 C ATOM 2073 CG TYR A 135 8.523 8.615 5.160 1.00 12.47 C ATOM 2074 CD1 TYR A 135 8.398 9.140 6.442 1.00 12.60 C ATOM 2075 CD2 TYR A 135 7.367 8.307 4.463 1.00 12.42 C ATOM 2076 CE1 TYR A 135 7.155 9.352 7.005 1.00 12.68 C ATOM 2077 CE2 TYR A 135 6.120 8.513 5.021 1.00 12.52 C ATOM 2078 CZ TYR A 135 6.020 9.038 6.289 1.00 12.67 C ATOM 2079 OH TYR A 135 4.779 9.255 6.842 1.00 12.97 O ATOM 0 H TYR A 135 9.064 10.626 3.623 1.00 14.42 H new ATOM 0 HA TYR A 135 11.167 9.842 5.487 1.00 13.63 H new ATOM 0 HB2 TYR A 135 9.762 8.034 3.520 1.00 12.62 H new ATOM 0 HB3 TYR A 135 10.423 7.641 5.094 1.00 12.62 H new ATOM 0 HD1 TYR A 135 9.286 9.385 7.005 1.00 12.60 H new ATOM 0 HD2 TYR A 135 7.441 7.899 3.466 1.00 12.42 H new ATOM 0 HE1 TYR A 135 7.073 9.762 8.001 1.00 12.68 H new ATOM 0 HE2 TYR A 135 5.228 8.263 4.465 1.00 12.52 H new ATOM 0 HH TYR A 135 4.218 8.463 6.708 1.00 12.97 H new ATOM 2089 N LYS A 136 11.784 10.264 2.392 1.00 13.88 N ATOM 2090 CA LYS A 136 12.843 10.237 1.391 1.00 14.15 C ATOM 2091 C LYS A 136 14.084 10.944 1.919 1.00 15.09 C ATOM 2092 O LYS A 136 14.014 12.086 2.371 1.00 15.85 O ATOM 2093 CB LYS A 136 12.375 10.903 0.100 1.00 14.36 C ATOM 2094 CG LYS A 136 12.940 10.267 -1.159 1.00 14.69 C ATOM 2095 CD LYS A 136 13.481 11.319 -2.114 1.00 15.46 C ATOM 2096 CE LYS A 136 14.543 10.745 -3.038 1.00 15.93 C ATOM 2097 NZ LYS A 136 15.907 10.874 -2.461 1.00 16.56 N ATOM 0 H LYS A 136 10.989 10.856 2.154 1.00 13.88 H new ATOM 0 HA LYS A 136 13.090 9.197 1.179 1.00 14.15 H new ATOM 0 HB2 LYS A 136 11.286 10.866 0.057 1.00 14.36 H new ATOM 0 HB3 LYS A 136 12.658 11.956 0.122 1.00 14.36 H new ATOM 0 HG2 LYS A 136 13.736 9.571 -0.892 1.00 14.69 H new ATOM 0 HG3 LYS A 136 12.163 9.687 -1.656 1.00 14.69 H new ATOM 0 HD2 LYS A 136 12.663 11.726 -2.708 1.00 15.46 H new ATOM 0 HD3 LYS A 136 13.903 12.146 -1.543 1.00 15.46 H new ATOM 0 HE2 LYS A 136 14.328 9.694 -3.230 1.00 15.93 H new ATOM 0 HE3 LYS A 136 14.505 11.259 -3.999 1.00 15.93 H new ATOM 0 HZ1 LYS A 136 16.603 10.471 -3.121 1.00 16.56 H new ATOM 0 HZ2 LYS A 136 16.123 11.879 -2.301 1.00 16.56 H new ATOM 0 HZ3 LYS A 136 15.951 10.362 -1.557 1.00 16.56 H new ATOM 2111 N GLY A 137 15.215 10.259 1.878 1.00 15.10 N ATOM 2112 CA GLY A 137 16.442 10.840 2.379 1.00 15.97 C ATOM 2113 C GLY A 137 16.670 10.510 3.839 1.00 15.85 C ATOM 2114 O GLY A 137 17.740 10.778 4.382 1.00 16.53 O ATOM 0 H GLY A 137 15.306 9.313 1.508 1.00 15.10 H new ATOM 0 HA2 GLY A 137 17.283 10.476 1.789 1.00 15.97 H new ATOM 0 HA3 GLY A 137 16.409 11.922 2.253 1.00 15.97 H new ATOM 2118 N VAL A 138 15.661 9.924 4.473 1.00 15.06 N ATOM 2119 CA VAL A 138 15.762 9.548 5.878 1.00 15.00 C ATOM 2120 C VAL A 138 16.639 8.309 6.026 1.00 14.61 C ATOM 2121 O VAL A 138 16.393 7.290 5.383 1.00 13.92 O ATOM 2122 CB VAL A 138 14.367 9.285 6.498 1.00 14.53 C ATOM 2123 CG1 VAL A 138 14.477 8.558 7.831 1.00 14.37 C ATOM 2124 CG2 VAL A 138 13.611 10.593 6.668 1.00 14.92 C ATOM 0 H VAL A 138 14.766 9.699 4.038 1.00 15.06 H new ATOM 0 HA VAL A 138 16.216 10.381 6.414 1.00 15.00 H new ATOM 0 HB VAL A 138 13.813 8.642 5.814 1.00 14.53 H new ATOM 0 HG11 VAL A 138 13.480 8.390 8.237 1.00 14.37 H new ATOM 0 HG12 VAL A 138 14.975 7.600 7.683 1.00 14.37 H new ATOM 0 HG13 VAL A 138 15.056 9.163 8.529 1.00 14.37 H new ATOM 0 HG21 VAL A 138 12.632 10.394 7.105 1.00 14.92 H new ATOM 0 HG22 VAL A 138 14.174 11.256 7.326 1.00 14.92 H new ATOM 0 HG23 VAL A 138 13.484 11.069 5.696 1.00 14.92 H new ATOM 2134 N PRO A 139 17.697 8.400 6.844 1.00 15.15 N ATOM 2135 CA PRO A 139 18.617 7.284 7.082 1.00 14.91 C ATOM 2136 C PRO A 139 17.918 6.063 7.682 1.00 14.45 C ATOM 2137 O PRO A 139 17.074 6.190 8.569 1.00 14.71 O ATOM 2138 CB PRO A 139 19.633 7.856 8.075 1.00 15.76 C ATOM 2139 CG PRO A 139 19.524 9.334 7.932 1.00 16.48 C ATOM 2140 CD PRO A 139 18.089 9.603 7.592 1.00 16.12 C ATOM 0 HA PRO A 139 19.063 6.928 6.153 1.00 14.91 H new ATOM 0 HB2 PRO A 139 19.409 7.541 9.094 1.00 15.76 H new ATOM 0 HB3 PRO A 139 20.642 7.511 7.849 1.00 15.76 H new ATOM 0 HG2 PRO A 139 19.809 9.839 8.855 1.00 16.48 H new ATOM 0 HG3 PRO A 139 20.188 9.702 7.149 1.00 16.48 H new ATOM 0 HD2 PRO A 139 17.481 9.739 8.486 1.00 16.12 H new ATOM 0 HD3 PRO A 139 17.979 10.506 6.991 1.00 16.12 H new ATOM 2148 N LEU A 140 18.293 4.888 7.199 1.00 13.94 N ATOM 2149 CA LEU A 140 17.729 3.638 7.680 1.00 13.62 C ATOM 2150 C LEU A 140 18.746 2.537 7.454 1.00 13.69 C ATOM 2151 O LEU A 140 18.796 1.948 6.373 1.00 13.37 O ATOM 2152 CB LEU A 140 16.416 3.317 6.960 1.00 12.88 C ATOM 2153 CG LEU A 140 15.402 2.525 7.784 1.00 12.84 C ATOM 2154 CD1 LEU A 140 14.423 3.465 8.469 1.00 13.08 C ATOM 2155 CD2 LEU A 140 14.663 1.530 6.903 1.00 12.35 C ATOM 0 H LEU A 140 18.993 4.775 6.466 1.00 13.94 H new ATOM 0 HA LEU A 140 17.503 3.723 8.743 1.00 13.62 H new ATOM 0 HB2 LEU A 140 15.954 4.253 6.646 1.00 12.88 H new ATOM 0 HB3 LEU A 140 16.644 2.754 6.055 1.00 12.88 H new ATOM 0 HG LEU A 140 15.939 1.970 8.553 1.00 12.84 H new ATOM 0 HD11 LEU A 140 13.708 2.884 9.052 1.00 13.08 H new ATOM 0 HD12 LEU A 140 14.968 4.139 9.130 1.00 13.08 H new ATOM 0 HD13 LEU A 140 13.891 4.047 7.717 1.00 13.08 H new ATOM 0 HD21 LEU A 140 13.945 0.974 7.505 1.00 12.35 H new ATOM 0 HD22 LEU A 140 14.137 2.065 6.112 1.00 12.35 H new ATOM 0 HD23 LEU A 140 15.377 0.837 6.459 1.00 12.35 H new ATOM 2167 N ASP A 141 19.561 2.303 8.481 1.00 14.24 N ATOM 2168 CA ASP A 141 20.758 1.462 8.396 1.00 14.50 C ATOM 2169 C ASP A 141 21.889 2.324 7.850 1.00 14.65 C ATOM 2170 O ASP A 141 21.801 3.552 7.899 1.00 14.60 O ATOM 2171 CB ASP A 141 20.551 0.204 7.533 1.00 14.25 C ATOM 2172 CG ASP A 141 21.552 -0.892 7.839 1.00 14.67 C ATOM 2173 OD1 ASP A 141 21.294 -1.697 8.759 1.00 14.68 O ATOM 2174 OD2 ASP A 141 22.597 -0.957 7.157 1.00 15.08 O ATOM 0 H ASP A 141 19.408 2.697 9.409 1.00 14.24 H new ATOM 0 HA ASP A 141 20.999 1.089 9.391 1.00 14.50 H new ATOM 0 HB2 ASP A 141 19.542 -0.177 7.692 1.00 14.25 H new ATOM 0 HB3 ASP A 141 20.627 0.475 6.480 1.00 14.25 H new ATOM 2179 N GLY A 142 22.925 1.715 7.310 1.00 14.99 N ATOM 2180 CA GLY A 142 24.085 2.471 6.874 1.00 15.30 C ATOM 2181 C GLY A 142 23.805 3.455 5.748 1.00 15.13 C ATOM 2182 O GLY A 142 24.711 4.168 5.319 1.00 15.53 O ATOM 0 H GLY A 142 22.990 0.708 7.163 1.00 14.99 H new ATOM 0 HA2 GLY A 142 24.489 3.018 7.726 1.00 15.30 H new ATOM 0 HA3 GLY A 142 24.857 1.774 6.548 1.00 15.30 H new ATOM 2186 N ARG A 143 22.573 3.493 5.252 1.00 14.64 N ATOM 2187 CA ARG A 143 22.229 4.394 4.160 1.00 14.58 C ATOM 2188 C ARG A 143 20.808 4.924 4.321 1.00 14.18 C ATOM 2189 O ARG A 143 19.977 4.297 4.981 1.00 13.64 O ATOM 2190 CB ARG A 143 22.354 3.660 2.825 1.00 14.55 C ATOM 2191 CG ARG A 143 23.582 4.050 2.025 1.00 14.62 C ATOM 2192 CD ARG A 143 23.539 3.463 0.626 1.00 15.01 C ATOM 2193 NE ARG A 143 24.787 3.685 -0.096 1.00 15.55 N ATOM 2194 CZ ARG A 143 25.471 2.725 -0.713 1.00 16.06 C ATOM 2195 NH1 ARG A 143 25.031 1.473 -0.703 1.00 16.09 N ATOM 2196 NH2 ARG A 143 26.593 3.022 -1.357 1.00 16.66 N ATOM 0 H ARG A 143 21.802 2.915 5.586 1.00 14.64 H new ATOM 0 HA ARG A 143 22.919 5.238 4.181 1.00 14.58 H new ATOM 0 HB2 ARG A 143 22.380 2.587 3.012 1.00 14.55 H new ATOM 0 HB3 ARG A 143 21.464 3.858 2.227 1.00 14.55 H new ATOM 0 HG2 ARG A 143 23.649 5.136 1.964 1.00 14.62 H new ATOM 0 HG3 ARG A 143 24.479 3.704 2.539 1.00 14.62 H new ATOM 0 HD2 ARG A 143 23.341 2.393 0.687 1.00 15.01 H new ATOM 0 HD3 ARG A 143 22.714 3.909 0.070 1.00 15.01 H new ATOM 0 HE ARG A 143 25.158 4.635 -0.130 1.00 15.55 H new ATOM 0 HH11 ARG A 143 24.163 1.241 -0.220 1.00 16.09 H new ATOM 0 HH12 ARG A 143 25.561 0.742 -1.178 1.00 16.09 H new ATOM 0 HH21 ARG A 143 26.929 3.985 -1.378 1.00 16.66 H new ATOM 0 HH22 ARG A 143 27.119 2.287 -1.831 1.00 16.66 H new ATOM 2210 N PRO A 144 20.519 6.102 3.746 1.00 14.56 N ATOM 2211 CA PRO A 144 19.167 6.663 3.719 1.00 14.25 C ATOM 2212 C PRO A 144 18.223 5.828 2.859 1.00 13.50 C ATOM 2213 O PRO A 144 18.656 5.128 1.942 1.00 13.51 O ATOM 2214 CB PRO A 144 19.353 8.057 3.105 1.00 15.09 C ATOM 2215 CG PRO A 144 20.815 8.330 3.183 1.00 15.66 C ATOM 2216 CD PRO A 144 21.486 6.993 3.093 1.00 15.41 C ATOM 0 HA PRO A 144 18.719 6.686 4.713 1.00 14.25 H new ATOM 0 HB2 PRO A 144 19.003 8.082 2.073 1.00 15.09 H new ATOM 0 HB3 PRO A 144 18.783 8.807 3.653 1.00 15.09 H new ATOM 0 HG2 PRO A 144 21.135 8.983 2.371 1.00 15.66 H new ATOM 0 HG3 PRO A 144 21.070 8.833 4.116 1.00 15.66 H new ATOM 0 HD2 PRO A 144 21.671 6.702 2.059 1.00 15.41 H new ATOM 0 HD3 PRO A 144 22.449 6.988 3.603 1.00 15.41 H new ATOM 2224 N MET A 145 16.935 5.920 3.149 1.00 12.97 N ATOM 2225 CA MET A 145 15.942 5.131 2.437 1.00 12.29 C ATOM 2226 C MET A 145 15.358 5.902 1.265 1.00 12.48 C ATOM 2227 O MET A 145 15.310 7.135 1.270 1.00 13.04 O ATOM 2228 CB MET A 145 14.821 4.659 3.363 1.00 11.64 C ATOM 2229 CG MET A 145 13.900 5.763 3.853 1.00 11.69 C ATOM 2230 SD MET A 145 13.356 5.510 5.554 1.00 11.33 S ATOM 2231 CE MET A 145 12.049 4.309 5.315 1.00 11.40 C ATOM 0 H MET A 145 16.553 6.531 3.871 1.00 12.97 H new ATOM 0 HA MET A 145 16.458 4.251 2.052 1.00 12.29 H new ATOM 0 HB2 MET A 145 14.225 3.912 2.839 1.00 11.64 H new ATOM 0 HB3 MET A 145 15.265 4.164 4.227 1.00 11.64 H new ATOM 0 HG2 MET A 145 14.416 6.720 3.779 1.00 11.69 H new ATOM 0 HG3 MET A 145 13.028 5.819 3.201 1.00 11.69 H new ATOM 0 HE1 MET A 145 11.612 4.050 6.279 1.00 11.40 H new ATOM 0 HE2 MET A 145 11.279 4.732 4.669 1.00 11.40 H new ATOM 0 HE3 MET A 145 12.459 3.412 4.851 1.00 11.40 H new ATOM 2241 N ASP A 146 14.933 5.159 0.260 1.00 12.13 N ATOM 2242 CA ASP A 146 14.343 5.749 -0.933 1.00 12.38 C ATOM 2243 C ASP A 146 12.842 5.538 -0.959 1.00 11.73 C ATOM 2244 O ASP A 146 12.351 4.474 -0.584 1.00 11.11 O ATOM 2245 CB ASP A 146 14.964 5.164 -2.198 1.00 12.64 C ATOM 2246 CG ASP A 146 14.963 6.158 -3.341 1.00 13.31 C ATOM 2247 OD1 ASP A 146 14.900 7.375 -3.072 1.00 13.51 O ATOM 2248 OD2 ASP A 146 15.034 5.729 -4.510 1.00 13.71 O ATOM 0 H ASP A 146 14.985 4.140 0.244 1.00 12.13 H new ATOM 0 HA ASP A 146 14.548 6.819 -0.902 1.00 12.38 H new ATOM 0 HB2 ASP A 146 15.987 4.852 -1.989 1.00 12.64 H new ATOM 0 HB3 ASP A 146 14.413 4.271 -2.493 1.00 12.64 H new ATOM 2253 N ILE A 147 12.125 6.560 -1.410 1.00 11.99 N ATOM 2254 CA ILE A 147 10.669 6.533 -1.498 1.00 11.55 C ATOM 2255 C ILE A 147 10.206 7.626 -2.446 1.00 12.03 C ATOM 2256 O ILE A 147 10.267 8.808 -2.118 1.00 12.66 O ATOM 2257 CB ILE A 147 9.964 6.733 -0.134 1.00 11.54 C ATOM 2258 CG1 ILE A 147 10.898 7.413 0.876 1.00 12.01 C ATOM 2259 CG2 ILE A 147 9.457 5.401 0.400 1.00 10.85 C ATOM 2260 CD1 ILE A 147 11.290 6.537 2.046 1.00 11.93 C ATOM 0 H ILE A 147 12.539 7.436 -1.727 1.00 11.99 H new ATOM 0 HA ILE A 147 10.397 5.542 -1.861 1.00 11.55 H new ATOM 0 HB ILE A 147 9.108 7.391 -0.284 1.00 11.54 H new ATOM 0 HG12 ILE A 147 11.802 7.735 0.359 1.00 12.01 H new ATOM 0 HG13 ILE A 147 10.412 8.311 1.256 1.00 12.01 H new ATOM 0 HG21 ILE A 147 8.964 5.558 1.359 1.00 10.85 H new ATOM 0 HG22 ILE A 147 8.747 4.972 -0.307 1.00 10.85 H new ATOM 0 HG23 ILE A 147 10.296 4.718 0.531 1.00 10.85 H new ATOM 0 HD11 ILE A 147 11.950 7.093 2.712 1.00 11.93 H new ATOM 0 HD12 ILE A 147 10.395 6.236 2.591 1.00 11.93 H new ATOM 0 HD13 ILE A 147 11.807 5.650 1.679 1.00 11.93 H new ATOM 2272 N GLN A 148 9.768 7.238 -3.629 1.00 11.86 N ATOM 2273 CA GLN A 148 9.375 8.205 -4.639 1.00 12.36 C ATOM 2274 C GLN A 148 7.957 7.925 -5.088 1.00 11.92 C ATOM 2275 O GLN A 148 7.439 6.833 -4.868 1.00 11.28 O ATOM 2276 CB GLN A 148 10.322 8.160 -5.843 1.00 12.71 C ATOM 2277 CG GLN A 148 11.623 7.414 -5.583 1.00 13.36 C ATOM 2278 CD GLN A 148 11.942 6.400 -6.663 1.00 13.82 C ATOM 2279 OE1 GLN A 148 11.269 6.335 -7.695 1.00 14.37 O ATOM 2280 NE2 GLN A 148 12.972 5.603 -6.438 1.00 13.78 N ATOM 0 H GLN A 148 9.675 6.263 -3.915 1.00 11.86 H new ATOM 0 HA GLN A 148 9.430 9.202 -4.201 1.00 12.36 H new ATOM 0 HB2 GLN A 148 9.806 7.689 -6.680 1.00 12.71 H new ATOM 0 HB3 GLN A 148 10.555 9.181 -6.146 1.00 12.71 H new ATOM 0 HG2 GLN A 148 12.440 8.132 -5.511 1.00 13.36 H new ATOM 0 HG3 GLN A 148 11.560 6.906 -4.621 1.00 13.36 H new ATOM 0 HE21 GLN A 148 13.503 5.689 -5.572 1.00 13.78 H new ATOM 0 HE22 GLN A 148 13.236 4.902 -7.131 1.00 13.78 H new ATOM 2289 N LEU A 149 7.339 8.889 -5.737 1.00 12.38 N ATOM 2290 CA LEU A 149 5.972 8.730 -6.194 1.00 12.11 C ATOM 2291 C LEU A 149 5.942 8.445 -7.683 1.00 12.57 C ATOM 2292 O LEU A 149 6.771 8.955 -8.440 1.00 13.35 O ATOM 2293 CB LEU A 149 5.182 9.999 -5.920 1.00 12.48 C ATOM 2294 CG LEU A 149 4.018 9.815 -4.966 1.00 12.21 C ATOM 2295 CD1 LEU A 149 4.470 9.029 -3.740 1.00 11.94 C ATOM 2296 CD2 LEU A 149 3.448 11.170 -4.584 1.00 12.16 C ATOM 0 H LEU A 149 7.760 9.791 -5.961 1.00 12.38 H new ATOM 0 HA LEU A 149 5.526 7.893 -5.656 1.00 12.11 H new ATOM 0 HB2 LEU A 149 5.856 10.752 -5.511 1.00 12.48 H new ATOM 0 HB3 LEU A 149 4.804 10.389 -6.865 1.00 12.48 H new ATOM 0 HG LEU A 149 3.228 9.244 -5.455 1.00 12.21 H new ATOM 0 HD11 LEU A 149 3.628 8.901 -3.059 1.00 11.94 H new ATOM 0 HD12 LEU A 149 4.838 8.051 -4.050 1.00 11.94 H new ATOM 0 HD13 LEU A 149 5.267 9.573 -3.233 1.00 11.94 H new ATOM 0 HD21 LEU A 149 2.612 11.033 -3.898 1.00 12.16 H new ATOM 0 HD22 LEU A 149 4.221 11.766 -4.099 1.00 12.16 H new ATOM 0 HD23 LEU A 149 3.102 11.685 -5.480 1.00 12.16 H new ATOM 2308 N VAL A 150 4.998 7.623 -8.102 1.00 12.18 N ATOM 2309 CA VAL A 150 4.798 7.336 -9.506 1.00 12.66 C ATOM 2310 C VAL A 150 3.308 7.117 -9.765 1.00 12.39 C ATOM 2311 O VAL A 150 2.610 6.515 -8.943 1.00 11.73 O ATOM 2312 CB VAL A 150 5.635 6.109 -9.969 1.00 12.72 C ATOM 2313 CG1 VAL A 150 5.826 5.113 -8.833 1.00 13.21 C ATOM 2314 CG2 VAL A 150 5.017 5.425 -11.182 1.00 12.72 C ATOM 0 H VAL A 150 4.352 7.138 -7.480 1.00 12.18 H new ATOM 0 HA VAL A 150 5.145 8.188 -10.090 1.00 12.66 H new ATOM 0 HB VAL A 150 6.614 6.485 -10.265 1.00 12.72 H new ATOM 0 HG11 VAL A 150 6.415 4.266 -9.187 1.00 13.21 H new ATOM 0 HG12 VAL A 150 6.347 5.598 -8.008 1.00 13.21 H new ATOM 0 HG13 VAL A 150 4.853 4.761 -8.491 1.00 13.21 H new ATOM 0 HG21 VAL A 150 5.633 4.574 -11.473 1.00 12.72 H new ATOM 0 HG22 VAL A 150 4.014 5.079 -10.933 1.00 12.72 H new ATOM 0 HG23 VAL A 150 4.962 6.132 -12.010 1.00 12.72 H new ATOM 2324 N ALA A 151 2.822 7.698 -10.859 1.00 13.01 N ATOM 2325 CA ALA A 151 1.428 7.546 -11.274 1.00 12.96 C ATOM 2326 C ALA A 151 0.484 7.934 -10.137 1.00 13.33 C ATOM 2327 O ALA A 151 -0.163 7.081 -9.531 1.00 13.35 O ATOM 2328 CB ALA A 151 1.157 6.119 -11.736 1.00 12.65 C ATOM 0 H ALA A 151 3.379 8.285 -11.480 1.00 13.01 H new ATOM 0 HA ALA A 151 1.245 8.216 -12.114 1.00 12.96 H new ATOM 0 HB1 ALA A 151 0.114 6.027 -12.040 1.00 12.65 H new ATOM 0 HB2 ALA A 151 1.804 5.881 -12.580 1.00 12.65 H new ATOM 0 HB3 ALA A 151 1.359 5.427 -10.918 1.00 12.65 H new