USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 893 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 17 ASN : amide:sc= 0.473 K(o=1.2,f=-3.4!) USER MOD Set 1.2: A 106 HIS : no HD1:sc= 0.683 K(o=1.2,f=-6!) USER MOD Set 2.1: A 61 LYS NZ :NH3+ -103:sc= 1.17 (180deg=-0.215) USER MOD Set 2.2: A 83 TYR OH : rot -140:sc= 0.245 USER MOD Set 3.1: A 39 TYR OH : rot 180:sc= -0.202 USER MOD Set 3.2: A 44 ASN : amide:sc= 0.704 K(o=0.5,f=-0.84) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.182! (180deg=-0.736!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= -0.0139 (180deg=-0.11) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.618 K(o=0.62,f=-0.36) USER MOD Single : A 24 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=-0.13) USER MOD Single : A 25 ASN : amide:sc= 0.301 K(o=0.3,f=-4!) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00932) USER MOD Single : A 31 ASN : amide:sc= 0.133 X(o=0.13,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0385 (180deg=-0.285) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -1.39 (180deg=-2.07!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -105:sc= -0.481 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.28) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= -0.0223 (180deg=-0.24) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0448 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0148 K(o=-0.015,f=-0.53) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= 1.83 (180deg=0.889) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS :FLIP no HE2:sc= 0.00392 F(o=-0.52,f=0.0039) USER MOD Single : A 107 HIS :FLIP no HE2:sc= 0.0866 F(o=-0.43,f=0.087) USER MOD Single : A 108 HIS :FLIP no HE2:sc= -0.19 F(o=-0.7,f=-0.19) USER MOD Single : A 109 HIS : no HD1:sc= -0.0535 X(o=-0.053,f=-0.011) USER MOD Single : A 110 HIS : no HD1:sc= -0.0884 X(o=-0.088,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.935 4.931 -2.974 1.00 13.32 N ATOM 2 CA MET A 1 24.725 5.783 -2.918 1.00 32.11 C ATOM 3 C MET A 1 23.605 5.045 -2.189 1.00 13.42 C ATOM 4 O MET A 1 23.575 3.814 -2.181 1.00 22.32 O ATOM 5 CB MET A 1 24.268 6.153 -4.337 1.00 63.42 C ATOM 6 CG MET A 1 25.315 6.905 -5.149 1.00 23.12 C ATOM 7 SD MET A 1 26.852 5.976 -5.329 1.00 3.45 S ATOM 8 CE MET A 1 27.813 7.093 -6.352 1.00 44.41 C ATOM 0 H1 MET A 1 26.396 5.043 -3.899 1.00 13.32 H new ATOM 0 H2 MET A 1 26.595 5.215 -2.222 1.00 13.32 H new ATOM 0 H3 MET A 1 25.665 3.936 -2.840 1.00 13.32 H new ATOM 0 HA MET A 1 24.965 6.698 -2.376 1.00 32.11 H new ATOM 0 HB2 MET A 1 23.996 5.241 -4.869 1.00 63.42 H new ATOM 0 HB3 MET A 1 23.368 6.764 -4.270 1.00 63.42 H new ATOM 0 HG2 MET A 1 24.912 7.128 -6.137 1.00 23.12 H new ATOM 0 HG3 MET A 1 25.526 7.860 -4.667 1.00 23.12 H new ATOM 0 HE1 MET A 1 28.792 6.655 -6.549 1.00 44.41 H new ATOM 0 HE2 MET A 1 27.294 7.260 -7.296 1.00 44.41 H new ATOM 0 HE3 MET A 1 27.939 8.044 -5.834 1.00 44.41 H new ATOM 20 N ILE A 2 22.692 5.794 -1.576 1.00 74.35 N ATOM 21 CA ILE A 2 21.566 5.198 -0.852 1.00 43.32 C ATOM 22 C ILE A 2 20.609 4.501 -1.822 1.00 15.12 C ATOM 23 O ILE A 2 19.992 3.488 -1.487 1.00 1.43 O ATOM 24 CB ILE A 2 20.794 6.255 -0.018 1.00 52.11 C ATOM 25 CG1 ILE A 2 20.238 7.373 -0.920 1.00 32.31 C ATOM 26 CG2 ILE A 2 21.698 6.838 1.069 1.00 31.01 C ATOM 27 CD1 ILE A 2 19.431 8.418 -0.178 1.00 34.51 C ATOM 0 H ILE A 2 22.707 6.814 -1.564 1.00 74.35 H new ATOM 0 HA ILE A 2 21.979 4.461 -0.164 1.00 43.32 H new ATOM 0 HB ILE A 2 19.949 5.760 0.461 1.00 52.11 H new ATOM 0 HG12 ILE A 2 21.069 7.863 -1.428 1.00 32.31 H new ATOM 0 HG13 ILE A 2 19.612 6.926 -1.692 1.00 32.31 H new ATOM 0 HG21 ILE A 2 21.143 7.578 1.646 1.00 31.01 H new ATOM 0 HG22 ILE A 2 22.033 6.039 1.731 1.00 31.01 H new ATOM 0 HG23 ILE A 2 22.563 7.313 0.607 1.00 31.01 H new ATOM 0 HD11 ILE A 2 19.075 9.170 -0.882 1.00 34.51 H new ATOM 0 HD12 ILE A 2 18.579 7.943 0.307 1.00 34.51 H new ATOM 0 HD13 ILE A 2 20.058 8.895 0.575 1.00 34.51 H new ATOM 39 N GLY A 3 20.501 5.060 -3.025 1.00 4.05 N ATOM 40 CA GLY A 3 19.688 4.462 -4.066 1.00 31.20 C ATOM 41 C GLY A 3 20.513 3.551 -4.951 1.00 2.33 C ATOM 42 O GLY A 3 21.696 3.817 -5.186 1.00 11.54 O ATOM 0 H GLY A 3 20.968 5.925 -3.297 1.00 4.05 H new ATOM 0 HA2 GLY A 3 18.874 3.895 -3.614 1.00 31.20 H new ATOM 0 HA3 GLY A 3 19.233 5.246 -4.671 1.00 31.20 H new ATOM 46 N MET A 4 19.900 2.480 -5.442 1.00 41.43 N ATOM 47 CA MET A 4 20.606 1.494 -6.260 1.00 24.20 C ATOM 48 C MET A 4 20.183 1.597 -7.722 1.00 60.31 C ATOM 49 O MET A 4 19.238 2.317 -8.054 1.00 50.43 O ATOM 50 CB MET A 4 20.351 0.079 -5.725 1.00 30.24 C ATOM 51 CG MET A 4 20.825 -0.124 -4.290 1.00 21.20 C ATOM 52 SD MET A 4 22.587 0.214 -4.089 1.00 30.11 S ATOM 53 CE MET A 4 22.785 -0.032 -2.325 1.00 44.52 C ATOM 0 H MET A 4 18.914 2.270 -5.289 1.00 41.43 H new ATOM 0 HA MET A 4 21.674 1.703 -6.202 1.00 24.20 H new ATOM 0 HB2 MET A 4 19.284 -0.135 -5.780 1.00 30.24 H new ATOM 0 HB3 MET A 4 20.854 -0.641 -6.371 1.00 30.24 H new ATOM 0 HG2 MET A 4 20.256 0.528 -3.627 1.00 21.20 H new ATOM 0 HG3 MET A 4 20.618 -1.149 -3.984 1.00 21.20 H new ATOM 0 HE1 MET A 4 23.825 0.142 -2.048 1.00 44.52 H new ATOM 0 HE2 MET A 4 22.144 0.666 -1.786 1.00 44.52 H new ATOM 0 HE3 MET A 4 22.506 -1.054 -2.067 1.00 44.52 H new ATOM 63 N SER A 5 20.899 0.884 -8.588 1.00 63.03 N ATOM 64 CA SER A 5 20.647 0.912 -10.024 1.00 53.51 C ATOM 65 C SER A 5 19.231 0.424 -10.345 1.00 21.13 C ATOM 66 O SER A 5 18.774 -0.588 -9.806 1.00 14.01 O ATOM 67 CB SER A 5 21.691 0.055 -10.754 1.00 62.42 C ATOM 68 OG SER A 5 21.622 0.236 -12.160 1.00 12.44 O ATOM 0 H SER A 5 21.668 0.273 -8.314 1.00 63.03 H new ATOM 0 HA SER A 5 20.729 1.943 -10.369 1.00 53.51 H new ATOM 0 HB2 SER A 5 22.689 0.316 -10.401 1.00 62.42 H new ATOM 0 HB3 SER A 5 21.533 -0.996 -10.513 1.00 62.42 H new ATOM 0 HG SER A 5 22.300 -0.322 -12.595 1.00 12.44 H new ATOM 74 N GLU A 6 18.545 1.157 -11.220 1.00 44.52 N ATOM 75 CA GLU A 6 17.181 0.823 -11.619 1.00 32.23 C ATOM 76 C GLU A 6 17.165 0.231 -13.031 1.00 61.14 C ATOM 77 O GLU A 6 17.154 0.958 -14.026 1.00 63.20 O ATOM 78 CB GLU A 6 16.281 2.070 -11.535 1.00 53.40 C ATOM 79 CG GLU A 6 16.854 3.299 -12.236 1.00 53.23 C ATOM 80 CD GLU A 6 15.959 4.520 -12.104 1.00 10.20 C ATOM 81 OE1 GLU A 6 15.942 5.136 -11.019 1.00 14.44 O ATOM 82 OE2 GLU A 6 15.279 4.879 -13.089 1.00 53.01 O ATOM 0 H GLU A 6 18.917 1.994 -11.669 1.00 44.52 H new ATOM 0 HA GLU A 6 16.789 0.071 -10.934 1.00 32.23 H new ATOM 0 HB2 GLU A 6 15.311 1.835 -11.972 1.00 53.40 H new ATOM 0 HB3 GLU A 6 16.108 2.311 -10.486 1.00 53.40 H new ATOM 0 HG2 GLU A 6 17.835 3.526 -11.819 1.00 53.23 H new ATOM 0 HG3 GLU A 6 17.001 3.074 -13.292 1.00 53.23 H new ATOM 89 N LYS A 7 17.207 -1.094 -13.109 1.00 44.32 N ATOM 90 CA LYS A 7 17.178 -1.793 -14.394 1.00 1.30 C ATOM 91 C LYS A 7 15.756 -2.248 -14.718 1.00 64.42 C ATOM 92 O LYS A 7 15.408 -2.456 -15.883 1.00 60.34 O ATOM 93 CB LYS A 7 18.129 -2.999 -14.366 1.00 62.54 C ATOM 94 CG LYS A 7 19.576 -2.639 -14.020 1.00 53.22 C ATOM 95 CD LYS A 7 20.159 -1.587 -14.967 1.00 22.53 C ATOM 96 CE LYS A 7 20.177 -2.061 -16.419 1.00 0.41 C ATOM 97 NZ LYS A 7 20.967 -3.310 -16.599 1.00 14.10 N ATOM 0 H LYS A 7 17.261 -1.709 -12.297 1.00 44.32 H new ATOM 0 HA LYS A 7 17.510 -1.105 -15.172 1.00 1.30 H new ATOM 0 HB2 LYS A 7 17.761 -3.723 -13.639 1.00 62.54 H new ATOM 0 HB3 LYS A 7 18.109 -3.488 -15.340 1.00 62.54 H new ATOM 0 HG2 LYS A 7 19.620 -2.267 -12.997 1.00 53.22 H new ATOM 0 HG3 LYS A 7 20.190 -3.539 -14.058 1.00 53.22 H new ATOM 0 HD2 LYS A 7 19.573 -0.671 -14.893 1.00 22.53 H new ATOM 0 HD3 LYS A 7 21.174 -1.342 -14.654 1.00 22.53 H new ATOM 0 HE2 LYS A 7 19.154 -2.230 -16.756 1.00 0.41 H new ATOM 0 HE3 LYS A 7 20.595 -1.276 -17.049 1.00 0.41 H new ATOM 0 HZ1 LYS A 7 21.063 -3.517 -17.614 1.00 14.10 H new ATOM 0 HZ2 LYS A 7 21.911 -3.187 -16.180 1.00 14.10 H new ATOM 0 HZ3 LYS A 7 20.480 -4.100 -16.130 1.00 14.10 H new ATOM 111 N ARG A 8 14.946 -2.402 -13.679 1.00 0.03 N ATOM 112 CA ARG A 8 13.546 -2.787 -13.829 1.00 53.24 C ATOM 113 C ARG A 8 12.676 -1.993 -12.863 1.00 71.03 C ATOM 114 O ARG A 8 13.066 -1.760 -11.721 1.00 10.43 O ATOM 115 CB ARG A 8 13.359 -4.295 -13.576 1.00 65.34 C ATOM 116 CG ARG A 8 11.905 -4.688 -13.306 1.00 32.32 C ATOM 117 CD ARG A 8 11.735 -6.176 -13.019 1.00 61.25 C ATOM 118 NE ARG A 8 10.490 -6.434 -12.286 1.00 22.20 N ATOM 119 CZ ARG A 8 9.286 -6.563 -12.847 1.00 2.21 C ATOM 120 NH1 ARG A 8 9.140 -6.538 -14.167 1.00 23.23 N ATOM 121 NH2 ARG A 8 8.219 -6.729 -12.076 1.00 73.14 N ATOM 0 H ARG A 8 15.238 -2.265 -12.711 1.00 0.03 H new ATOM 0 HA ARG A 8 13.243 -2.567 -14.853 1.00 53.24 H new ATOM 0 HB2 ARG A 8 13.723 -4.849 -14.441 1.00 65.34 H new ATOM 0 HB3 ARG A 8 13.972 -4.592 -12.725 1.00 65.34 H new ATOM 0 HG2 ARG A 8 11.531 -4.115 -12.458 1.00 32.32 H new ATOM 0 HG3 ARG A 8 11.295 -4.418 -14.168 1.00 32.32 H new ATOM 0 HD2 ARG A 8 11.731 -6.732 -13.956 1.00 61.25 H new ATOM 0 HD3 ARG A 8 12.584 -6.537 -12.438 1.00 61.25 H new ATOM 0 HE ARG A 8 10.549 -6.521 -11.271 1.00 22.20 H new ATOM 0 HH11 ARG A 8 9.955 -6.419 -14.768 1.00 23.23 H new ATOM 0 HH12 ARG A 8 8.213 -6.638 -14.580 1.00 23.23 H new ATOM 0 HH21 ARG A 8 8.322 -6.757 -11.062 1.00 73.14 H new ATOM 0 HH22 ARG A 8 7.296 -6.828 -12.498 1.00 73.14 H new ATOM 135 N GLY A 9 11.501 -1.583 -13.335 1.00 2.44 N ATOM 136 CA GLY A 9 10.534 -0.915 -12.485 1.00 35.43 C ATOM 137 C GLY A 9 10.629 0.591 -12.559 1.00 3.51 C ATOM 138 O GLY A 9 11.719 1.147 -12.710 1.00 73.42 O ATOM 0 H GLY A 9 11.201 -1.704 -14.302 1.00 2.44 H new ATOM 0 HA2 GLY A 9 9.529 -1.225 -12.772 1.00 35.43 H new ATOM 0 HA3 GLY A 9 10.683 -1.233 -11.453 1.00 35.43 H new ATOM 142 N GLU A 10 9.479 1.250 -12.492 1.00 54.20 N ATOM 143 CA GLU A 10 9.426 2.700 -12.400 1.00 21.43 C ATOM 144 C GLU A 10 9.635 3.097 -10.944 1.00 43.51 C ATOM 145 O GLU A 10 10.534 3.873 -10.617 1.00 30.21 O ATOM 146 CB GLU A 10 8.079 3.219 -12.927 1.00 54.11 C ATOM 147 CG GLU A 10 7.991 4.738 -13.019 1.00 73.43 C ATOM 148 CD GLU A 10 6.722 5.203 -13.716 1.00 15.32 C ATOM 149 OE1 GLU A 10 6.694 5.194 -14.964 1.00 25.23 O ATOM 150 OE2 GLU A 10 5.751 5.572 -13.026 1.00 50.42 O ATOM 0 H GLU A 10 8.565 0.797 -12.500 1.00 54.20 H new ATOM 0 HA GLU A 10 10.210 3.145 -13.013 1.00 21.43 H new ATOM 0 HB2 GLU A 10 7.900 2.795 -13.915 1.00 54.11 H new ATOM 0 HB3 GLU A 10 7.283 2.858 -12.276 1.00 54.11 H new ATOM 0 HG2 GLU A 10 8.028 5.163 -12.016 1.00 73.43 H new ATOM 0 HG3 GLU A 10 8.859 5.118 -13.558 1.00 73.43 H new ATOM 157 N ILE A 11 8.791 2.542 -10.077 1.00 33.22 N ATOM 158 CA ILE A 11 8.960 2.655 -8.635 1.00 13.20 C ATOM 159 C ILE A 11 8.693 1.288 -8.004 1.00 62.45 C ATOM 160 O ILE A 11 7.549 0.940 -7.691 1.00 13.41 O ATOM 161 CB ILE A 11 8.018 3.724 -8.012 1.00 14.24 C ATOM 162 CG1 ILE A 11 8.268 5.105 -8.651 1.00 44.34 C ATOM 163 CG2 ILE A 11 8.205 3.790 -6.491 1.00 54.12 C ATOM 164 CD1 ILE A 11 7.370 6.208 -8.123 1.00 33.40 C ATOM 0 H ILE A 11 7.972 2.002 -10.357 1.00 33.22 H new ATOM 0 HA ILE A 11 9.981 2.979 -8.433 1.00 13.20 H new ATOM 0 HB ILE A 11 6.988 3.433 -8.217 1.00 14.24 H new ATOM 0 HG12 ILE A 11 9.307 5.387 -8.484 1.00 44.34 H new ATOM 0 HG13 ILE A 11 8.129 5.024 -9.729 1.00 44.34 H new ATOM 0 HG21 ILE A 11 7.537 4.544 -6.075 1.00 54.12 H new ATOM 0 HG22 ILE A 11 7.974 2.819 -6.054 1.00 54.12 H new ATOM 0 HG23 ILE A 11 9.237 4.054 -6.262 1.00 54.12 H new ATOM 0 HD11 ILE A 11 7.611 7.145 -8.625 1.00 33.40 H new ATOM 0 HD12 ILE A 11 6.328 5.952 -8.315 1.00 33.40 H new ATOM 0 HD13 ILE A 11 7.524 6.321 -7.050 1.00 33.40 H new ATOM 176 N MET A 12 9.757 0.509 -7.872 1.00 71.04 N ATOM 177 CA MET A 12 9.689 -0.861 -7.368 1.00 71.02 C ATOM 178 C MET A 12 10.223 -0.927 -5.942 1.00 41.01 C ATOM 179 O MET A 12 11.297 -0.399 -5.647 1.00 53.44 O ATOM 180 CB MET A 12 10.492 -1.800 -8.286 1.00 44.34 C ATOM 181 CG MET A 12 11.923 -1.335 -8.539 1.00 73.12 C ATOM 182 SD MET A 12 11.983 0.264 -9.383 1.00 43.40 S ATOM 183 CE MET A 12 13.733 0.629 -9.329 1.00 73.11 C ATOM 0 H MET A 12 10.701 0.810 -8.113 1.00 71.04 H new ATOM 0 HA MET A 12 8.648 -1.183 -7.362 1.00 71.02 H new ATOM 0 HB2 MET A 12 10.516 -2.795 -7.842 1.00 44.34 H new ATOM 0 HB3 MET A 12 9.974 -1.890 -9.241 1.00 44.34 H new ATOM 0 HG2 MET A 12 12.453 -1.263 -7.589 1.00 73.12 H new ATOM 0 HG3 MET A 12 12.445 -2.080 -9.139 1.00 73.12 H new ATOM 0 HE1 MET A 12 13.920 1.587 -9.813 1.00 73.11 H new ATOM 0 HE2 MET A 12 14.063 0.677 -8.291 1.00 73.11 H new ATOM 0 HE3 MET A 12 14.284 -0.154 -9.849 1.00 73.11 H new ATOM 193 N ILE A 13 9.464 -1.572 -5.062 1.00 52.05 N ATOM 194 CA ILE A 13 9.805 -1.648 -3.645 1.00 64.12 C ATOM 195 C ILE A 13 10.129 -3.086 -3.254 1.00 24.20 C ATOM 196 O ILE A 13 9.309 -3.983 -3.434 1.00 51.32 O ATOM 197 CB ILE A 13 8.633 -1.135 -2.767 1.00 13.22 C ATOM 198 CG1 ILE A 13 8.104 0.207 -3.301 1.00 32.03 C ATOM 199 CG2 ILE A 13 9.059 -0.999 -1.304 1.00 25.23 C ATOM 200 CD1 ILE A 13 9.162 1.283 -3.451 1.00 14.23 C ATOM 0 H ILE A 13 8.600 -2.054 -5.309 1.00 52.05 H new ATOM 0 HA ILE A 13 10.678 -1.018 -3.478 1.00 64.12 H new ATOM 0 HB ILE A 13 7.829 -1.870 -2.817 1.00 13.22 H new ATOM 0 HG12 ILE A 13 7.635 0.039 -4.270 1.00 32.03 H new ATOM 0 HG13 ILE A 13 7.326 0.570 -2.629 1.00 32.03 H new ATOM 0 HG21 ILE A 13 8.218 -0.638 -0.712 1.00 25.23 H new ATOM 0 HG22 ILE A 13 9.378 -1.970 -0.926 1.00 25.23 H new ATOM 0 HG23 ILE A 13 9.885 -0.292 -1.230 1.00 25.23 H new ATOM 0 HD11 ILE A 13 8.702 2.195 -3.833 1.00 14.23 H new ATOM 0 HD12 ILE A 13 9.616 1.484 -2.481 1.00 14.23 H new ATOM 0 HD13 ILE A 13 9.929 0.944 -4.148 1.00 14.23 H new ATOM 212 N LEU A 14 11.332 -3.306 -2.736 1.00 11.50 N ATOM 213 CA LEU A 14 11.762 -4.638 -2.313 1.00 61.11 C ATOM 214 C LEU A 14 11.902 -4.683 -0.792 1.00 24.44 C ATOM 215 O LEU A 14 12.777 -4.024 -0.220 1.00 12.24 O ATOM 216 CB LEU A 14 13.095 -5.025 -2.982 1.00 70.52 C ATOM 217 CG LEU A 14 13.026 -5.366 -4.486 1.00 41.43 C ATOM 218 CD1 LEU A 14 12.626 -4.154 -5.324 1.00 11.42 C ATOM 219 CD2 LEU A 14 14.357 -5.935 -4.966 1.00 1.31 C ATOM 0 H LEU A 14 12.031 -2.577 -2.597 1.00 11.50 H new ATOM 0 HA LEU A 14 11.005 -5.358 -2.624 1.00 61.11 H new ATOM 0 HB2 LEU A 14 13.797 -4.202 -2.849 1.00 70.52 H new ATOM 0 HB3 LEU A 14 13.507 -5.885 -2.454 1.00 70.52 H new ATOM 0 HG LEU A 14 12.253 -6.123 -4.617 1.00 41.43 H new ATOM 0 HD11 LEU A 14 12.589 -4.436 -6.376 1.00 11.42 H new ATOM 0 HD12 LEU A 14 11.644 -3.801 -5.008 1.00 11.42 H new ATOM 0 HD13 LEU A 14 13.359 -3.359 -5.187 1.00 11.42 H new ATOM 0 HD21 LEU A 14 14.290 -6.170 -6.028 1.00 1.31 H new ATOM 0 HD22 LEU A 14 15.146 -5.200 -4.806 1.00 1.31 H new ATOM 0 HD23 LEU A 14 14.587 -6.842 -4.408 1.00 1.31 H new ATOM 231 N ILE A 15 11.033 -5.453 -0.145 1.00 44.21 N ATOM 232 CA ILE A 15 11.023 -5.558 1.313 1.00 54.32 C ATOM 233 C ILE A 15 10.598 -6.965 1.743 1.00 44.44 C ATOM 234 O ILE A 15 9.808 -7.613 1.055 1.00 31.15 O ATOM 235 CB ILE A 15 10.069 -4.507 1.948 1.00 71.42 C ATOM 236 CG1 ILE A 15 10.107 -4.592 3.485 1.00 45.40 C ATOM 237 CG2 ILE A 15 8.640 -4.690 1.428 1.00 61.34 C ATOM 238 CD1 ILE A 15 9.167 -3.626 4.177 1.00 13.42 C ATOM 0 H ILE A 15 10.322 -6.017 -0.609 1.00 44.21 H new ATOM 0 HA ILE A 15 12.035 -5.362 1.666 1.00 54.32 H new ATOM 0 HB ILE A 15 10.413 -3.515 1.656 1.00 71.42 H new ATOM 0 HG12 ILE A 15 9.856 -5.608 3.789 1.00 45.40 H new ATOM 0 HG13 ILE A 15 11.125 -4.399 3.825 1.00 45.40 H new ATOM 0 HG21 ILE A 15 7.988 -3.945 1.885 1.00 61.34 H new ATOM 0 HG22 ILE A 15 8.628 -4.567 0.345 1.00 61.34 H new ATOM 0 HG23 ILE A 15 8.285 -5.688 1.684 1.00 61.34 H new ATOM 0 HD11 ILE A 15 9.252 -3.747 5.257 1.00 13.42 H new ATOM 0 HD12 ILE A 15 9.430 -2.604 3.904 1.00 13.42 H new ATOM 0 HD13 ILE A 15 8.142 -3.832 3.868 1.00 13.42 H new ATOM 250 N GLN A 16 11.153 -7.435 2.864 1.00 13.15 N ATOM 251 CA GLN A 16 10.821 -8.750 3.428 1.00 32.24 C ATOM 252 C GLN A 16 10.988 -9.864 2.392 1.00 50.02 C ATOM 253 O GLN A 16 10.341 -10.913 2.486 1.00 21.41 O ATOM 254 CB GLN A 16 9.388 -8.755 3.992 1.00 31.05 C ATOM 255 CG GLN A 16 9.200 -7.874 5.224 1.00 12.52 C ATOM 256 CD GLN A 16 10.095 -8.276 6.387 1.00 54.14 C ATOM 257 OE1 GLN A 16 11.215 -7.783 6.527 1.00 41.40 O ATOM 258 NE2 GLN A 16 9.612 -9.183 7.220 1.00 21.33 N ATOM 0 H GLN A 16 11.844 -6.917 3.407 1.00 13.15 H new ATOM 0 HA GLN A 16 11.519 -8.942 4.243 1.00 32.24 H new ATOM 0 HB2 GLN A 16 8.701 -8.423 3.213 1.00 31.05 H new ATOM 0 HB3 GLN A 16 9.112 -9.779 4.245 1.00 31.05 H new ATOM 0 HG2 GLN A 16 9.405 -6.837 4.957 1.00 12.52 H new ATOM 0 HG3 GLN A 16 8.158 -7.921 5.542 1.00 12.52 H new ATOM 0 HE21 GLN A 16 8.679 -9.568 7.070 1.00 21.33 H new ATOM 0 HE22 GLN A 16 10.172 -9.498 8.012 1.00 21.33 H new ATOM 267 N ASN A 17 11.894 -9.643 1.439 1.00 11.23 N ATOM 268 CA ASN A 17 12.140 -10.590 0.351 1.00 44.11 C ATOM 269 C ASN A 17 10.902 -10.733 -0.535 1.00 64.42 C ATOM 270 O ASN A 17 10.509 -11.840 -0.906 1.00 4.25 O ATOM 271 CB ASN A 17 12.576 -11.964 0.895 1.00 15.13 C ATOM 272 CG ASN A 17 13.910 -11.913 1.625 1.00 61.31 C ATOM 273 OD1 ASN A 17 14.965 -12.066 1.012 1.00 5.42 O ATOM 274 ND2 ASN A 17 13.875 -11.710 2.935 1.00 3.34 N ATOM 0 H ASN A 17 12.476 -8.806 1.399 1.00 11.23 H new ATOM 0 HA ASN A 17 12.954 -10.194 -0.255 1.00 44.11 H new ATOM 0 HB2 ASN A 17 11.810 -12.341 1.573 1.00 15.13 H new ATOM 0 HB3 ASN A 17 12.646 -12.671 0.069 1.00 15.13 H new ATOM 0 HD21 ASN A 17 14.743 -11.676 3.469 1.00 3.34 H new ATOM 0 HD22 ASN A 17 12.980 -11.587 3.408 1.00 3.34 H new ATOM 281 N ALA A 18 10.291 -9.602 -0.866 1.00 74.34 N ATOM 282 CA ALA A 18 9.165 -9.564 -1.791 1.00 22.30 C ATOM 283 C ALA A 18 9.259 -8.314 -2.662 1.00 70.22 C ATOM 284 O ALA A 18 9.617 -7.239 -2.169 1.00 4.32 O ATOM 285 CB ALA A 18 7.845 -9.592 -1.029 1.00 13.15 C ATOM 0 H ALA A 18 10.561 -8.688 -0.502 1.00 74.34 H new ATOM 0 HA ALA A 18 9.201 -10.445 -2.432 1.00 22.30 H new ATOM 0 HB1 ALA A 18 7.016 -9.563 -1.736 1.00 13.15 H new ATOM 0 HB2 ALA A 18 7.786 -10.506 -0.438 1.00 13.15 H new ATOM 0 HB3 ALA A 18 7.788 -8.727 -0.368 1.00 13.15 H new ATOM 291 N GLU A 19 8.960 -8.463 -3.950 1.00 73.43 N ATOM 292 CA GLU A 19 9.000 -7.341 -4.888 1.00 21.22 C ATOM 293 C GLU A 19 7.628 -6.665 -4.938 1.00 0.12 C ATOM 294 O GLU A 19 6.599 -7.339 -4.896 1.00 31.13 O ATOM 295 CB GLU A 19 9.399 -7.822 -6.297 1.00 34.51 C ATOM 296 CG GLU A 19 9.879 -6.700 -7.224 1.00 31.35 C ATOM 297 CD GLU A 19 9.903 -7.092 -8.700 1.00 61.44 C ATOM 298 OE1 GLU A 19 10.606 -8.055 -9.056 1.00 2.11 O ATOM 299 OE2 GLU A 19 9.234 -6.419 -9.519 1.00 41.33 O ATOM 0 H GLU A 19 8.687 -9.351 -4.370 1.00 73.43 H new ATOM 0 HA GLU A 19 9.747 -6.625 -4.545 1.00 21.22 H new ATOM 0 HB2 GLU A 19 10.189 -8.567 -6.205 1.00 34.51 H new ATOM 0 HB3 GLU A 19 8.544 -8.319 -6.756 1.00 34.51 H new ATOM 0 HG2 GLU A 19 9.230 -5.834 -7.098 1.00 31.35 H new ATOM 0 HG3 GLU A 19 10.881 -6.395 -6.922 1.00 31.35 H new ATOM 306 N PHE A 20 7.619 -5.339 -5.007 1.00 53.22 N ATOM 307 CA PHE A 20 6.383 -4.562 -5.117 1.00 63.41 C ATOM 308 C PHE A 20 6.536 -3.491 -6.189 1.00 75.33 C ATOM 309 O PHE A 20 7.654 -3.116 -6.542 1.00 42.31 O ATOM 310 CB PHE A 20 6.033 -3.879 -3.780 1.00 10.41 C ATOM 311 CG PHE A 20 5.663 -4.822 -2.660 1.00 12.30 C ATOM 312 CD1 PHE A 20 6.641 -5.409 -1.869 1.00 10.31 C ATOM 313 CD2 PHE A 20 4.331 -5.108 -2.391 1.00 34.22 C ATOM 314 CE1 PHE A 20 6.299 -6.263 -0.836 1.00 62.12 C ATOM 315 CE2 PHE A 20 3.985 -5.961 -1.358 1.00 54.23 C ATOM 316 CZ PHE A 20 4.970 -6.539 -0.580 1.00 61.21 C ATOM 0 H PHE A 20 8.465 -4.770 -4.989 1.00 53.22 H new ATOM 0 HA PHE A 20 5.581 -5.250 -5.384 1.00 63.41 H new ATOM 0 HB2 PHE A 20 6.885 -3.278 -3.462 1.00 10.41 H new ATOM 0 HB3 PHE A 20 5.203 -3.193 -3.946 1.00 10.41 H new ATOM 0 HD1 PHE A 20 7.682 -5.196 -2.063 1.00 10.31 H new ATOM 0 HD2 PHE A 20 3.556 -4.659 -2.995 1.00 34.22 H new ATOM 0 HE1 PHE A 20 7.071 -6.714 -0.230 1.00 62.12 H new ATOM 0 HE2 PHE A 20 2.945 -6.175 -1.160 1.00 54.23 H new ATOM 0 HZ PHE A 20 4.701 -7.205 0.227 1.00 61.21 H new ATOM 326 N GLU A 21 5.413 -3.002 -6.709 1.00 64.51 N ATOM 327 CA GLU A 21 5.413 -1.847 -7.602 1.00 22.33 C ATOM 328 C GLU A 21 4.362 -0.844 -7.138 1.00 53.43 C ATOM 329 O GLU A 21 3.311 -1.228 -6.616 1.00 23.14 O ATOM 330 CB GLU A 21 5.144 -2.253 -9.066 1.00 2.44 C ATOM 331 CG GLU A 21 3.715 -2.718 -9.347 1.00 14.10 C ATOM 332 CD GLU A 21 3.434 -2.884 -10.836 1.00 1.51 C ATOM 333 OE1 GLU A 21 3.319 -1.858 -11.541 1.00 15.24 O ATOM 334 OE2 GLU A 21 3.318 -4.038 -11.309 1.00 32.41 O ATOM 0 H GLU A 21 4.488 -3.390 -6.526 1.00 64.51 H new ATOM 0 HA GLU A 21 6.403 -1.392 -7.564 1.00 22.33 H new ATOM 0 HB2 GLU A 21 5.369 -1.404 -9.712 1.00 2.44 H new ATOM 0 HB3 GLU A 21 5.832 -3.053 -9.339 1.00 2.44 H new ATOM 0 HG2 GLU A 21 3.539 -3.667 -8.840 1.00 14.10 H new ATOM 0 HG3 GLU A 21 3.013 -1.997 -8.927 1.00 14.10 H new ATOM 341 N LEU A 22 4.660 0.436 -7.304 1.00 42.24 N ATOM 342 CA LEU A 22 3.717 1.496 -6.973 1.00 4.23 C ATOM 343 C LEU A 22 2.705 1.660 -8.110 1.00 34.50 C ATOM 344 O LEU A 22 3.087 1.967 -9.243 1.00 71.21 O ATOM 345 CB LEU A 22 4.478 2.809 -6.727 1.00 72.12 C ATOM 346 CG LEU A 22 3.623 4.004 -6.274 1.00 45.11 C ATOM 347 CD1 LEU A 22 2.935 3.706 -4.945 1.00 61.12 C ATOM 348 CD2 LEU A 22 4.480 5.265 -6.169 1.00 62.12 C ATOM 0 H LEU A 22 5.553 0.768 -7.668 1.00 42.24 H new ATOM 0 HA LEU A 22 3.177 1.234 -6.063 1.00 4.23 H new ATOM 0 HB2 LEU A 22 5.243 2.627 -5.972 1.00 72.12 H new ATOM 0 HB3 LEU A 22 4.996 3.084 -7.646 1.00 72.12 H new ATOM 0 HG LEU A 22 2.850 4.175 -7.023 1.00 45.11 H new ATOM 0 HD11 LEU A 22 2.336 4.566 -4.645 1.00 61.12 H new ATOM 0 HD12 LEU A 22 2.289 2.835 -5.057 1.00 61.12 H new ATOM 0 HD13 LEU A 22 3.688 3.504 -4.183 1.00 61.12 H new ATOM 0 HD21 LEU A 22 3.859 6.101 -5.847 1.00 62.12 H new ATOM 0 HD22 LEU A 22 5.277 5.104 -5.443 1.00 62.12 H new ATOM 0 HD23 LEU A 22 4.916 5.490 -7.142 1.00 62.12 H new ATOM 360 N VAL A 23 1.424 1.428 -7.818 1.00 5.00 N ATOM 361 CA VAL A 23 0.371 1.536 -8.835 1.00 70.04 C ATOM 362 C VAL A 23 -0.449 2.814 -8.657 1.00 72.33 C ATOM 363 O VAL A 23 -1.089 3.286 -9.600 1.00 2.11 O ATOM 364 CB VAL A 23 -0.575 0.305 -8.824 1.00 32.51 C ATOM 365 CG1 VAL A 23 0.201 -0.976 -9.129 1.00 71.02 C ATOM 366 CG2 VAL A 23 -1.315 0.190 -7.491 1.00 43.45 C ATOM 0 H VAL A 23 1.089 1.165 -6.891 1.00 5.00 H new ATOM 0 HA VAL A 23 0.877 1.572 -9.800 1.00 70.04 H new ATOM 0 HB VAL A 23 -1.320 0.447 -9.607 1.00 32.51 H new ATOM 0 HG11 VAL A 23 -0.481 -1.826 -9.116 1.00 71.02 H new ATOM 0 HG12 VAL A 23 0.663 -0.896 -10.113 1.00 71.02 H new ATOM 0 HG13 VAL A 23 0.975 -1.121 -8.375 1.00 71.02 H new ATOM 0 HG21 VAL A 23 -1.970 -0.681 -7.512 1.00 43.45 H new ATOM 0 HG22 VAL A 23 -0.593 0.081 -6.682 1.00 43.45 H new ATOM 0 HG23 VAL A 23 -1.911 1.088 -7.327 1.00 43.45 H new ATOM 376 N HIS A 24 -0.434 3.370 -7.445 1.00 23.23 N ATOM 377 CA HIS A 24 -1.137 4.622 -7.155 1.00 61.22 C ATOM 378 C HIS A 24 -0.430 5.404 -6.055 1.00 12.41 C ATOM 379 O HIS A 24 0.025 4.828 -5.068 1.00 13.25 O ATOM 380 CB HIS A 24 -2.599 4.375 -6.743 1.00 63.34 C ATOM 381 CG HIS A 24 -3.554 4.273 -7.894 1.00 73.01 C ATOM 382 ND1 HIS A 24 -3.655 5.237 -8.871 1.00 43.41 N ATOM 383 CD2 HIS A 24 -4.464 3.323 -8.213 1.00 60.40 C ATOM 384 CE1 HIS A 24 -4.583 4.885 -9.738 1.00 63.40 C ATOM 385 NE2 HIS A 24 -5.091 3.727 -9.363 1.00 34.31 N ATOM 0 H HIS A 24 0.059 2.972 -6.645 1.00 23.23 H new ATOM 0 HA HIS A 24 -1.130 5.206 -8.076 1.00 61.22 H new ATOM 0 HB2 HIS A 24 -2.650 3.455 -6.161 1.00 63.34 H new ATOM 0 HB3 HIS A 24 -2.922 5.185 -6.088 1.00 63.34 H new ATOM 0 HD2 HIS A 24 -4.660 2.414 -7.663 1.00 60.40 H new ATOM 0 HE1 HIS A 24 -4.878 5.450 -10.610 1.00 63.40 H new ATOM 0 HE2 HIS A 24 -5.829 3.216 -9.849 1.00 34.31 H new ATOM 394 N ASN A 25 -0.353 6.717 -6.242 1.00 33.44 N ATOM 395 CA ASN A 25 0.252 7.624 -5.269 1.00 55.22 C ATOM 396 C ASN A 25 -0.288 9.033 -5.481 1.00 43.31 C ATOM 397 O ASN A 25 -0.518 9.446 -6.618 1.00 24.53 O ATOM 398 CB ASN A 25 1.780 7.617 -5.406 1.00 74.41 C ATOM 399 CG ASN A 25 2.479 8.604 -4.480 1.00 60.45 C ATOM 400 OD1 ASN A 25 2.013 8.893 -3.376 1.00 61.11 O ATOM 401 ND2 ASN A 25 3.610 9.126 -4.926 1.00 21.25 N ATOM 0 H ASN A 25 -0.709 7.185 -7.075 1.00 33.44 H new ATOM 0 HA ASN A 25 -0.004 7.288 -4.264 1.00 55.22 H new ATOM 0 HB2 ASN A 25 2.150 6.613 -5.200 1.00 74.41 H new ATOM 0 HB3 ASN A 25 2.045 7.849 -6.438 1.00 74.41 H new ATOM 0 HD21 ASN A 25 4.127 9.791 -4.351 1.00 21.25 H new ATOM 0 HD22 ASN A 25 3.965 8.863 -5.845 1.00 21.25 H new ATOM 408 N PHE A 26 -0.500 9.758 -4.392 1.00 3.12 N ATOM 409 CA PHE A 26 -1.008 11.122 -4.462 1.00 21.13 C ATOM 410 C PHE A 26 -0.465 11.933 -3.291 1.00 54.34 C ATOM 411 O PHE A 26 -0.398 11.433 -2.164 1.00 72.13 O ATOM 412 CB PHE A 26 -2.548 11.129 -4.455 1.00 1.34 C ATOM 413 CG PHE A 26 -3.163 12.459 -4.845 1.00 30.15 C ATOM 414 CD1 PHE A 26 -3.134 13.542 -3.976 1.00 24.55 C ATOM 415 CD2 PHE A 26 -3.768 12.622 -6.085 1.00 71.11 C ATOM 416 CE1 PHE A 26 -3.689 14.753 -4.330 1.00 12.04 C ATOM 417 CE2 PHE A 26 -4.327 13.835 -6.443 1.00 22.44 C ATOM 418 CZ PHE A 26 -4.287 14.901 -5.566 1.00 22.12 C ATOM 0 H PHE A 26 -0.327 9.423 -3.444 1.00 3.12 H new ATOM 0 HA PHE A 26 -0.673 11.576 -5.395 1.00 21.13 H new ATOM 0 HB2 PHE A 26 -2.907 10.360 -5.139 1.00 1.34 H new ATOM 0 HB3 PHE A 26 -2.897 10.858 -3.459 1.00 1.34 H new ATOM 0 HD1 PHE A 26 -2.669 13.434 -3.007 1.00 24.55 H new ATOM 0 HD2 PHE A 26 -3.802 11.793 -6.776 1.00 71.11 H new ATOM 0 HE1 PHE A 26 -3.656 15.585 -3.642 1.00 12.04 H new ATOM 0 HE2 PHE A 26 -4.795 13.949 -7.409 1.00 22.44 H new ATOM 0 HZ PHE A 26 -4.723 15.849 -5.846 1.00 22.12 H new ATOM 428 N LYS A 27 -0.041 13.163 -3.581 1.00 35.14 N ATOM 429 CA LYS A 27 0.437 14.096 -2.559 1.00 41.25 C ATOM 430 C LYS A 27 1.718 13.573 -1.912 1.00 31.24 C ATOM 431 O LYS A 27 2.018 13.881 -0.755 1.00 41.50 O ATOM 432 CB LYS A 27 -0.658 14.327 -1.493 1.00 53.42 C ATOM 433 CG LYS A 27 -0.490 15.592 -0.647 1.00 60.42 C ATOM 434 CD LYS A 27 -1.206 16.796 -1.258 1.00 41.23 C ATOM 435 CE LYS A 27 -0.620 17.212 -2.603 1.00 14.23 C ATOM 436 NZ LYS A 27 0.740 17.804 -2.470 1.00 52.13 N ATOM 0 H LYS A 27 -0.019 13.541 -4.528 1.00 35.14 H new ATOM 0 HA LYS A 27 0.663 15.050 -3.036 1.00 41.25 H new ATOM 0 HB2 LYS A 27 -1.626 14.370 -1.993 1.00 53.42 H new ATOM 0 HB3 LYS A 27 -0.681 13.465 -0.827 1.00 53.42 H new ATOM 0 HG2 LYS A 27 -0.879 15.411 0.355 1.00 60.42 H new ATOM 0 HG3 LYS A 27 0.571 15.818 -0.541 1.00 60.42 H new ATOM 0 HD2 LYS A 27 -2.262 16.559 -1.385 1.00 41.23 H new ATOM 0 HD3 LYS A 27 -1.149 17.636 -0.566 1.00 41.23 H new ATOM 0 HE2 LYS A 27 -0.573 16.344 -3.260 1.00 14.23 H new ATOM 0 HE3 LYS A 27 -1.283 17.935 -3.077 1.00 14.23 H new ATOM 0 HZ1 LYS A 27 1.068 18.133 -3.401 1.00 52.13 H new ATOM 0 HZ2 LYS A 27 0.706 18.608 -1.811 1.00 52.13 H new ATOM 0 HZ3 LYS A 27 1.397 17.085 -2.105 1.00 52.13 H new ATOM 450 N ASP A 28 2.476 12.790 -2.683 1.00 2.22 N ATOM 451 CA ASP A 28 3.710 12.169 -2.189 1.00 70.33 C ATOM 452 C ASP A 28 3.417 11.307 -0.966 1.00 54.21 C ATOM 453 O ASP A 28 4.296 11.068 -0.137 1.00 10.32 O ATOM 454 CB ASP A 28 4.763 13.237 -1.850 1.00 0.34 C ATOM 455 CG ASP A 28 5.326 13.921 -3.085 1.00 44.33 C ATOM 456 OD1 ASP A 28 4.622 14.772 -3.674 1.00 64.02 O ATOM 457 OD2 ASP A 28 6.476 13.612 -3.473 1.00 71.31 O ATOM 0 H ASP A 28 2.257 12.570 -3.655 1.00 2.22 H new ATOM 0 HA ASP A 28 4.111 11.533 -2.978 1.00 70.33 H new ATOM 0 HB2 ASP A 28 4.316 13.987 -1.197 1.00 0.34 H new ATOM 0 HB3 ASP A 28 5.578 12.774 -1.293 1.00 0.34 H new ATOM 462 N GLY A 29 2.176 10.826 -0.879 1.00 3.24 N ATOM 463 CA GLY A 29 1.754 10.021 0.251 1.00 12.13 C ATOM 464 C GLY A 29 2.610 8.789 0.429 1.00 51.33 C ATOM 465 O GLY A 29 2.782 8.292 1.549 1.00 35.42 O ATOM 0 H GLY A 29 1.452 10.984 -1.580 1.00 3.24 H new ATOM 0 HA2 GLY A 29 1.795 10.623 1.159 1.00 12.13 H new ATOM 0 HA3 GLY A 29 0.715 9.722 0.113 1.00 12.13 H new ATOM 469 N PHE A 30 3.148 8.291 -0.680 1.00 25.23 N ATOM 470 CA PHE A 30 4.028 7.137 -0.647 1.00 22.34 C ATOM 471 C PHE A 30 5.364 7.488 -0.005 1.00 65.52 C ATOM 472 O PHE A 30 6.260 8.045 -0.648 1.00 13.41 O ATOM 473 CB PHE A 30 4.256 6.556 -2.046 1.00 31.44 C ATOM 474 CG PHE A 30 5.234 5.411 -2.033 1.00 11.34 C ATOM 475 CD1 PHE A 30 4.978 4.282 -1.267 1.00 40.24 C ATOM 476 CD2 PHE A 30 6.421 5.474 -2.748 1.00 42.44 C ATOM 477 CE1 PHE A 30 5.878 3.240 -1.221 1.00 34.32 C ATOM 478 CE2 PHE A 30 7.327 4.434 -2.698 1.00 41.53 C ATOM 479 CZ PHE A 30 7.053 3.317 -1.934 1.00 14.14 C ATOM 0 H PHE A 30 2.987 8.672 -1.612 1.00 25.23 H new ATOM 0 HA PHE A 30 3.534 6.377 -0.042 1.00 22.34 H new ATOM 0 HB2 PHE A 30 3.305 6.215 -2.456 1.00 31.44 H new ATOM 0 HB3 PHE A 30 4.625 7.340 -2.707 1.00 31.44 H new ATOM 0 HD1 PHE A 30 4.061 4.220 -0.700 1.00 40.24 H new ATOM 0 HD2 PHE A 30 6.638 6.345 -3.349 1.00 42.44 H new ATOM 0 HE1 PHE A 30 5.662 2.364 -0.627 1.00 34.32 H new ATOM 0 HE2 PHE A 30 8.250 4.494 -3.256 1.00 41.53 H new ATOM 0 HZ PHE A 30 7.761 2.503 -1.896 1.00 14.14 H new ATOM 489 N ASN A 31 5.475 7.172 1.272 1.00 4.45 N ATOM 490 CA ASN A 31 6.729 7.294 1.994 1.00 42.11 C ATOM 491 C ASN A 31 7.200 5.902 2.387 1.00 34.14 C ATOM 492 O ASN A 31 6.609 5.276 3.269 1.00 54.03 O ATOM 493 CB ASN A 31 6.552 8.179 3.236 1.00 61.42 C ATOM 494 CG ASN A 31 6.302 9.635 2.880 1.00 75.04 C ATOM 495 OD1 ASN A 31 7.242 10.424 2.769 1.00 40.32 O ATOM 496 ND2 ASN A 31 5.041 9.997 2.684 1.00 33.25 N ATOM 0 H ASN A 31 4.701 6.824 1.837 1.00 4.45 H new ATOM 0 HA ASN A 31 7.477 7.766 1.357 1.00 42.11 H new ATOM 0 HB2 ASN A 31 5.718 7.805 3.829 1.00 61.42 H new ATOM 0 HB3 ASN A 31 7.444 8.108 3.859 1.00 61.42 H new ATOM 0 HD21 ASN A 31 4.820 10.960 2.431 1.00 33.25 H new ATOM 0 HD22 ASN A 31 4.292 9.312 2.786 1.00 33.25 H new ATOM 503 N GLU A 32 8.239 5.411 1.706 1.00 73.10 N ATOM 504 CA GLU A 32 8.744 4.056 1.932 1.00 74.32 C ATOM 505 C GLU A 32 8.960 3.795 3.418 1.00 21.14 C ATOM 506 O GLU A 32 8.562 2.753 3.937 1.00 71.51 O ATOM 507 CB GLU A 32 10.054 3.816 1.162 1.00 30.33 C ATOM 508 CG GLU A 32 10.671 2.449 1.444 1.00 20.30 C ATOM 509 CD GLU A 32 11.983 2.216 0.715 1.00 22.23 C ATOM 510 OE1 GLU A 32 12.933 3.004 0.922 1.00 10.21 O ATOM 511 OE2 GLU A 32 12.084 1.224 -0.035 1.00 65.21 O ATOM 0 H GLU A 32 8.747 5.934 0.992 1.00 73.10 H new ATOM 0 HA GLU A 32 7.991 3.361 1.560 1.00 74.32 H new ATOM 0 HB2 GLU A 32 9.862 3.908 0.093 1.00 30.33 H new ATOM 0 HB3 GLU A 32 10.771 4.593 1.426 1.00 30.33 H new ATOM 0 HG2 GLU A 32 10.837 2.348 2.517 1.00 20.30 H new ATOM 0 HG3 GLU A 32 9.962 1.673 1.157 1.00 20.30 H new ATOM 518 N GLU A 33 9.564 4.764 4.099 1.00 62.15 N ATOM 519 CA GLU A 33 9.857 4.642 5.523 1.00 35.34 C ATOM 520 C GLU A 33 8.578 4.400 6.332 1.00 44.11 C ATOM 521 O GLU A 33 8.585 3.643 7.301 1.00 22.44 O ATOM 522 CB GLU A 33 10.595 5.893 6.020 1.00 3.33 C ATOM 523 CG GLU A 33 9.838 7.198 5.807 1.00 71.14 C ATOM 524 CD GLU A 33 10.661 8.411 6.207 1.00 44.11 C ATOM 525 OE1 GLU A 33 10.834 8.643 7.424 1.00 42.44 O ATOM 526 OE2 GLU A 33 11.160 9.126 5.309 1.00 72.33 O ATOM 0 H GLU A 33 9.862 5.647 3.685 1.00 62.15 H new ATOM 0 HA GLU A 33 10.505 3.777 5.668 1.00 35.34 H new ATOM 0 HB2 GLU A 33 10.804 5.778 7.084 1.00 3.33 H new ATOM 0 HB3 GLU A 33 11.557 5.958 5.512 1.00 3.33 H new ATOM 0 HG2 GLU A 33 9.553 7.284 4.758 1.00 71.14 H new ATOM 0 HG3 GLU A 33 8.915 7.180 6.387 1.00 71.14 H new ATOM 533 N ALA A 34 7.479 5.023 5.913 1.00 3.53 N ATOM 534 CA ALA A 34 6.193 4.848 6.583 1.00 73.20 C ATOM 535 C ALA A 34 5.602 3.481 6.246 1.00 70.33 C ATOM 536 O ALA A 34 5.041 2.801 7.109 1.00 63.45 O ATOM 537 CB ALA A 34 5.229 5.960 6.183 1.00 63.34 C ATOM 0 H ALA A 34 7.453 5.654 5.112 1.00 3.53 H new ATOM 0 HA ALA A 34 6.352 4.901 7.660 1.00 73.20 H new ATOM 0 HB1 ALA A 34 4.275 5.815 6.691 1.00 63.34 H new ATOM 0 HB2 ALA A 34 5.649 6.925 6.467 1.00 63.34 H new ATOM 0 HB3 ALA A 34 5.073 5.936 5.104 1.00 63.34 H new ATOM 543 N PHE A 35 5.753 3.083 4.985 1.00 51.34 N ATOM 544 CA PHE A 35 5.260 1.794 4.510 1.00 24.54 C ATOM 545 C PHE A 35 5.927 0.647 5.270 1.00 55.31 C ATOM 546 O PHE A 35 5.254 -0.164 5.902 1.00 64.40 O ATOM 547 CB PHE A 35 5.513 1.651 2.998 1.00 60.02 C ATOM 548 CG PHE A 35 5.245 0.264 2.457 1.00 51.33 C ATOM 549 CD1 PHE A 35 3.949 -0.165 2.208 1.00 32.04 C ATOM 550 CD2 PHE A 35 6.295 -0.611 2.201 1.00 74.01 C ATOM 551 CE1 PHE A 35 3.707 -1.436 1.718 1.00 21.14 C ATOM 552 CE2 PHE A 35 6.057 -1.880 1.710 1.00 30.41 C ATOM 553 CZ PHE A 35 4.761 -2.294 1.468 1.00 72.21 C ATOM 0 H PHE A 35 6.217 3.641 4.269 1.00 51.34 H new ATOM 0 HA PHE A 35 4.186 1.748 4.693 1.00 24.54 H new ATOM 0 HB2 PHE A 35 4.884 2.365 2.466 1.00 60.02 H new ATOM 0 HB3 PHE A 35 6.548 1.918 2.787 1.00 60.02 H new ATOM 0 HD1 PHE A 35 3.120 0.501 2.399 1.00 32.04 H new ATOM 0 HD2 PHE A 35 7.310 -0.294 2.389 1.00 74.01 H new ATOM 0 HE1 PHE A 35 2.693 -1.758 1.531 1.00 21.14 H new ATOM 0 HE2 PHE A 35 6.883 -2.548 1.515 1.00 30.41 H new ATOM 0 HZ PHE A 35 4.572 -3.286 1.084 1.00 72.21 H new ATOM 563 N LYS A 36 7.256 0.601 5.210 1.00 53.45 N ATOM 564 CA LYS A 36 8.028 -0.471 5.833 1.00 61.42 C ATOM 565 C LYS A 36 7.815 -0.502 7.344 1.00 41.12 C ATOM 566 O LYS A 36 7.897 -1.562 7.969 1.00 1.04 O ATOM 567 CB LYS A 36 9.521 -0.311 5.501 1.00 63.11 C ATOM 568 CG LYS A 36 10.122 1.014 5.965 1.00 4.41 C ATOM 569 CD LYS A 36 11.551 1.206 5.457 1.00 75.52 C ATOM 570 CE LYS A 36 12.523 0.204 6.073 1.00 14.52 C ATOM 571 NZ LYS A 36 12.578 0.322 7.552 1.00 4.34 N ATOM 0 H LYS A 36 7.824 1.300 4.732 1.00 53.45 H new ATOM 0 HA LYS A 36 7.676 -1.421 5.429 1.00 61.42 H new ATOM 0 HB2 LYS A 36 10.075 -1.130 5.960 1.00 63.11 H new ATOM 0 HB3 LYS A 36 9.655 -0.401 4.423 1.00 63.11 H new ATOM 0 HG2 LYS A 36 9.499 1.837 5.614 1.00 4.41 H new ATOM 0 HG3 LYS A 36 10.117 1.052 7.054 1.00 4.41 H new ATOM 0 HD2 LYS A 36 11.566 1.103 4.372 1.00 75.52 H new ATOM 0 HD3 LYS A 36 11.883 2.219 5.686 1.00 75.52 H new ATOM 0 HE2 LYS A 36 12.222 -0.808 5.801 1.00 14.52 H new ATOM 0 HE3 LYS A 36 13.519 0.363 5.659 1.00 14.52 H new ATOM 0 HZ1 LYS A 36 13.396 -0.210 7.913 1.00 4.34 H new ATOM 0 HZ2 LYS A 36 12.672 1.323 7.817 1.00 4.34 H new ATOM 0 HZ3 LYS A 36 11.705 -0.065 7.964 1.00 4.34 H new ATOM 585 N ALA A 37 7.537 0.660 7.925 1.00 61.55 N ATOM 586 CA ALA A 37 7.283 0.766 9.357 1.00 51.55 C ATOM 587 C ALA A 37 5.977 0.062 9.730 1.00 14.25 C ATOM 588 O ALA A 37 5.936 -0.751 10.661 1.00 4.22 O ATOM 589 CB ALA A 37 7.242 2.233 9.779 1.00 23.21 C ATOM 0 H ALA A 37 7.482 1.546 7.423 1.00 61.55 H new ATOM 0 HA ALA A 37 8.097 0.273 9.889 1.00 51.55 H new ATOM 0 HB1 ALA A 37 7.052 2.298 10.850 1.00 23.21 H new ATOM 0 HB2 ALA A 37 8.198 2.704 9.551 1.00 23.21 H new ATOM 0 HB3 ALA A 37 6.447 2.745 9.237 1.00 23.21 H new ATOM 595 N ARG A 38 4.919 0.367 8.987 1.00 62.23 N ATOM 596 CA ARG A 38 3.593 -0.193 9.253 1.00 71.35 C ATOM 597 C ARG A 38 3.474 -1.626 8.731 1.00 44.31 C ATOM 598 O ARG A 38 2.692 -2.422 9.258 1.00 15.01 O ATOM 599 CB ARG A 38 2.508 0.676 8.607 1.00 73.12 C ATOM 600 CG ARG A 38 2.364 2.067 9.217 1.00 72.41 C ATOM 601 CD ARG A 38 1.906 2.007 10.670 1.00 4.52 C ATOM 602 NE ARG A 38 1.545 3.327 11.184 1.00 54.21 N ATOM 603 CZ ARG A 38 1.320 3.601 12.470 1.00 15.30 C ATOM 604 NH1 ARG A 38 1.485 2.664 13.396 1.00 41.05 N ATOM 605 NH2 ARG A 38 0.941 4.821 12.827 1.00 1.31 N ATOM 0 H ARG A 38 4.952 1.003 8.190 1.00 62.23 H new ATOM 0 HA ARG A 38 3.455 -0.208 10.334 1.00 71.35 H new ATOM 0 HB2 ARG A 38 2.729 0.780 7.545 1.00 73.12 H new ATOM 0 HB3 ARG A 38 1.552 0.158 8.685 1.00 73.12 H new ATOM 0 HG2 ARG A 38 3.319 2.589 9.159 1.00 72.41 H new ATOM 0 HG3 ARG A 38 1.648 2.646 8.634 1.00 72.41 H new ATOM 0 HD2 ARG A 38 1.049 1.339 10.753 1.00 4.52 H new ATOM 0 HD3 ARG A 38 2.701 1.584 11.284 1.00 4.52 H new ATOM 0 HE ARG A 38 1.459 4.091 10.513 1.00 54.21 H new ATOM 0 HH11 ARG A 38 1.786 1.727 13.126 1.00 41.05 H new ATOM 0 HH12 ARG A 38 1.311 2.881 14.377 1.00 41.05 H new ATOM 0 HH21 ARG A 38 0.823 5.546 12.119 1.00 1.31 H new ATOM 0 HH22 ARG A 38 0.768 5.034 13.809 1.00 1.31 H new ATOM 619 N TYR A 39 4.257 -1.947 7.705 1.00 13.33 N ATOM 620 CA TYR A 39 4.150 -3.228 7.011 1.00 20.23 C ATOM 621 C TYR A 39 4.405 -4.403 7.952 1.00 21.41 C ATOM 622 O TYR A 39 5.446 -4.481 8.607 1.00 22.22 O ATOM 623 CB TYR A 39 5.123 -3.284 5.825 1.00 72.33 C ATOM 624 CG TYR A 39 5.027 -4.572 5.020 1.00 15.12 C ATOM 625 CD1 TYR A 39 3.965 -4.794 4.146 1.00 35.04 C ATOM 626 CD2 TYR A 39 5.993 -5.566 5.142 1.00 53.32 C ATOM 627 CE1 TYR A 39 3.872 -5.967 3.418 1.00 45.24 C ATOM 628 CE2 TYR A 39 5.904 -6.739 4.418 1.00 53.14 C ATOM 629 CZ TYR A 39 4.845 -6.935 3.559 1.00 74.01 C ATOM 630 OH TYR A 39 4.759 -8.104 2.838 1.00 60.41 O ATOM 0 H TYR A 39 4.980 -1.331 7.332 1.00 13.33 H new ATOM 0 HA TYR A 39 3.129 -3.311 6.639 1.00 20.23 H new ATOM 0 HB2 TYR A 39 4.929 -2.438 5.166 1.00 72.33 H new ATOM 0 HB3 TYR A 39 6.142 -3.172 6.196 1.00 72.33 H new ATOM 0 HD1 TYR A 39 3.202 -4.038 4.035 1.00 35.04 H new ATOM 0 HD2 TYR A 39 6.826 -5.418 5.814 1.00 53.32 H new ATOM 0 HE1 TYR A 39 3.043 -6.124 2.744 1.00 45.24 H new ATOM 0 HE2 TYR A 39 6.663 -7.500 4.525 1.00 53.14 H new ATOM 0 HH TYR A 39 5.524 -8.678 3.053 1.00 60.41 H new ATOM 640 N SER A 40 3.433 -5.304 8.010 1.00 14.54 N ATOM 641 CA SER A 40 3.552 -6.547 8.754 1.00 43.31 C ATOM 642 C SER A 40 3.427 -7.716 7.777 1.00 44.14 C ATOM 643 O SER A 40 2.785 -7.587 6.731 1.00 43.20 O ATOM 644 CB SER A 40 2.469 -6.623 9.842 1.00 10.44 C ATOM 645 OG SER A 40 2.652 -7.758 10.673 1.00 70.11 O ATOM 0 H SER A 40 2.535 -5.191 7.539 1.00 14.54 H new ATOM 0 HA SER A 40 4.522 -6.593 9.249 1.00 43.31 H new ATOM 0 HB2 SER A 40 2.496 -5.718 10.448 1.00 10.44 H new ATOM 0 HB3 SER A 40 1.485 -6.666 9.376 1.00 10.44 H new ATOM 0 HG SER A 40 1.950 -7.780 11.357 1.00 70.11 H new ATOM 651 N ASP A 41 4.036 -8.849 8.113 1.00 25.12 N ATOM 652 CA ASP A 41 4.073 -10.005 7.213 1.00 51.15 C ATOM 653 C ASP A 41 2.666 -10.503 6.886 1.00 61.22 C ATOM 654 O ASP A 41 2.419 -11.011 5.792 1.00 3.54 O ATOM 655 CB ASP A 41 4.896 -11.145 7.827 1.00 13.42 C ATOM 656 CG ASP A 41 6.342 -10.750 8.083 1.00 12.22 C ATOM 657 OD1 ASP A 41 7.119 -10.655 7.114 1.00 41.43 O ATOM 658 OD2 ASP A 41 6.706 -10.527 9.260 1.00 13.41 O ATOM 0 H ASP A 41 4.513 -8.995 9.003 1.00 25.12 H new ATOM 0 HA ASP A 41 4.547 -9.681 6.287 1.00 51.15 H new ATOM 0 HB2 ASP A 41 4.436 -11.455 8.765 1.00 13.42 H new ATOM 0 HB3 ASP A 41 4.871 -12.006 7.160 1.00 13.42 H new ATOM 663 N ILE A 42 1.747 -10.349 7.836 1.00 1.43 N ATOM 664 CA ILE A 42 0.359 -10.778 7.648 1.00 43.43 C ATOM 665 C ILE A 42 -0.298 -10.031 6.481 1.00 54.23 C ATOM 666 O ILE A 42 -1.174 -10.562 5.807 1.00 32.34 O ATOM 667 CB ILE A 42 -0.479 -10.569 8.941 1.00 34.15 C ATOM 668 CG1 ILE A 42 -1.920 -11.081 8.754 1.00 14.42 C ATOM 669 CG2 ILE A 42 -0.476 -9.099 9.360 1.00 32.25 C ATOM 670 CD1 ILE A 42 -2.011 -12.563 8.445 1.00 43.31 C ATOM 0 H ILE A 42 1.937 -9.930 8.746 1.00 1.43 H new ATOM 0 HA ILE A 42 0.382 -11.843 7.416 1.00 43.43 H new ATOM 0 HB ILE A 42 -0.016 -11.150 9.738 1.00 34.15 H new ATOM 0 HG12 ILE A 42 -2.489 -10.873 9.660 1.00 14.42 H new ATOM 0 HG13 ILE A 42 -2.392 -10.522 7.946 1.00 14.42 H new ATOM 0 HG21 ILE A 42 -1.069 -8.978 10.267 1.00 32.25 H new ATOM 0 HG22 ILE A 42 0.548 -8.777 9.550 1.00 32.25 H new ATOM 0 HG23 ILE A 42 -0.905 -8.492 8.562 1.00 32.25 H new ATOM 0 HD11 ILE A 42 -3.057 -12.847 8.327 1.00 43.31 H new ATOM 0 HD12 ILE A 42 -1.471 -12.776 7.522 1.00 43.31 H new ATOM 0 HD13 ILE A 42 -1.570 -13.133 9.263 1.00 43.31 H new ATOM 682 N LEU A 43 0.154 -8.810 6.227 1.00 55.42 N ATOM 683 CA LEU A 43 -0.434 -7.976 5.180 1.00 43.22 C ATOM 684 C LEU A 43 -0.074 -8.498 3.784 1.00 51.35 C ATOM 685 O LEU A 43 -0.746 -8.184 2.802 1.00 31.24 O ATOM 686 CB LEU A 43 0.026 -6.517 5.336 1.00 63.03 C ATOM 687 CG LEU A 43 -0.360 -5.841 6.662 1.00 61.21 C ATOM 688 CD1 LEU A 43 0.155 -4.404 6.703 1.00 4.12 C ATOM 689 CD2 LEU A 43 -1.876 -5.873 6.870 1.00 72.44 C ATOM 0 H LEU A 43 0.926 -8.373 6.730 1.00 55.42 H new ATOM 0 HA LEU A 43 -1.518 -8.020 5.288 1.00 43.22 H new ATOM 0 HB2 LEU A 43 1.111 -6.483 5.233 1.00 63.03 H new ATOM 0 HB3 LEU A 43 -0.391 -5.933 4.515 1.00 63.03 H new ATOM 0 HG LEU A 43 0.107 -6.399 7.474 1.00 61.21 H new ATOM 0 HD11 LEU A 43 -0.128 -3.943 7.649 1.00 4.12 H new ATOM 0 HD12 LEU A 43 1.241 -4.404 6.610 1.00 4.12 H new ATOM 0 HD13 LEU A 43 -0.280 -3.838 5.879 1.00 4.12 H new ATOM 0 HD21 LEU A 43 -2.124 -5.389 7.815 1.00 72.44 H new ATOM 0 HD22 LEU A 43 -2.367 -5.345 6.052 1.00 72.44 H new ATOM 0 HD23 LEU A 43 -2.219 -6.908 6.892 1.00 72.44 H new ATOM 701 N ASN A 44 0.971 -9.317 3.709 1.00 2.33 N ATOM 702 CA ASN A 44 1.476 -9.813 2.427 1.00 24.45 C ATOM 703 C ASN A 44 0.455 -10.723 1.741 1.00 11.23 C ATOM 704 O ASN A 44 0.419 -10.816 0.512 1.00 63.34 O ATOM 705 CB ASN A 44 2.799 -10.563 2.637 1.00 5.54 C ATOM 706 CG ASN A 44 3.469 -10.970 1.332 1.00 65.21 C ATOM 707 OD1 ASN A 44 3.239 -12.060 0.810 1.00 12.15 O ATOM 708 ND2 ASN A 44 4.315 -10.096 0.805 1.00 10.41 N ATOM 0 H ASN A 44 1.488 -9.654 4.522 1.00 2.33 H new ATOM 0 HA ASN A 44 1.649 -8.955 1.777 1.00 24.45 H new ATOM 0 HB2 ASN A 44 3.481 -9.932 3.207 1.00 5.54 H new ATOM 0 HB3 ASN A 44 2.613 -11.454 3.236 1.00 5.54 H new ATOM 0 HD21 ASN A 44 4.802 -10.317 -0.064 1.00 10.41 H new ATOM 0 HD22 ASN A 44 4.479 -9.202 1.268 1.00 10.41 H new ATOM 715 N LYS A 45 -0.396 -11.366 2.542 1.00 23.33 N ATOM 716 CA LYS A 45 -1.383 -12.319 2.022 1.00 4.32 C ATOM 717 C LYS A 45 -2.428 -11.619 1.147 1.00 53.21 C ATOM 718 O LYS A 45 -3.129 -12.267 0.373 1.00 60.52 O ATOM 719 CB LYS A 45 -2.062 -13.083 3.179 1.00 60.11 C ATOM 720 CG LYS A 45 -2.871 -12.207 4.144 1.00 13.22 C ATOM 721 CD LYS A 45 -4.340 -12.055 3.737 1.00 62.43 C ATOM 722 CE LYS A 45 -5.197 -13.238 4.192 1.00 41.14 C ATOM 723 NZ LYS A 45 -4.814 -14.521 3.537 1.00 72.44 N ATOM 0 H LYS A 45 -0.423 -11.245 3.554 1.00 23.33 H new ATOM 0 HA LYS A 45 -0.855 -13.038 1.396 1.00 4.32 H new ATOM 0 HB2 LYS A 45 -2.723 -13.840 2.757 1.00 60.11 H new ATOM 0 HB3 LYS A 45 -1.295 -13.611 3.746 1.00 60.11 H new ATOM 0 HG2 LYS A 45 -2.821 -12.638 5.144 1.00 13.22 H new ATOM 0 HG3 LYS A 45 -2.412 -11.220 4.199 1.00 13.22 H new ATOM 0 HD2 LYS A 45 -4.739 -11.135 4.164 1.00 62.43 H new ATOM 0 HD3 LYS A 45 -4.406 -11.958 2.653 1.00 62.43 H new ATOM 0 HE2 LYS A 45 -5.110 -13.348 5.273 1.00 41.14 H new ATOM 0 HE3 LYS A 45 -6.244 -13.025 3.977 1.00 41.14 H new ATOM 0 HZ1 LYS A 45 -5.561 -15.227 3.694 1.00 72.44 H new ATOM 0 HZ2 LYS A 45 -4.692 -14.367 2.516 1.00 72.44 H new ATOM 0 HZ3 LYS A 45 -3.921 -14.865 3.944 1.00 72.44 H new ATOM 737 N TYR A 46 -2.532 -10.298 1.289 1.00 14.14 N ATOM 738 CA TYR A 46 -3.465 -9.507 0.483 1.00 43.11 C ATOM 739 C TYR A 46 -2.847 -9.181 -0.876 1.00 60.54 C ATOM 740 O TYR A 46 -3.557 -8.920 -1.843 1.00 44.11 O ATOM 741 CB TYR A 46 -3.822 -8.196 1.200 1.00 62.54 C ATOM 742 CG TYR A 46 -4.500 -8.374 2.547 1.00 23.13 C ATOM 743 CD1 TYR A 46 -5.863 -8.646 2.635 1.00 51.02 C ATOM 744 CD2 TYR A 46 -3.780 -8.253 3.730 1.00 3.04 C ATOM 745 CE1 TYR A 46 -6.482 -8.787 3.862 1.00 2.12 C ATOM 746 CE2 TYR A 46 -4.393 -8.397 4.958 1.00 12.21 C ATOM 747 CZ TYR A 46 -5.743 -8.665 5.021 1.00 54.41 C ATOM 748 OH TYR A 46 -6.359 -8.798 6.245 1.00 54.32 O ATOM 0 H TYR A 46 -1.983 -9.752 1.953 1.00 14.14 H new ATOM 0 HA TYR A 46 -4.371 -10.097 0.340 1.00 43.11 H new ATOM 0 HB2 TYR A 46 -2.911 -7.615 1.341 1.00 62.54 H new ATOM 0 HB3 TYR A 46 -4.476 -7.611 0.554 1.00 62.54 H new ATOM 0 HD1 TYR A 46 -6.445 -8.748 1.731 1.00 51.02 H new ATOM 0 HD2 TYR A 46 -2.722 -8.042 3.687 1.00 3.04 H new ATOM 0 HE1 TYR A 46 -7.541 -8.992 3.914 1.00 2.12 H new ATOM 0 HE2 TYR A 46 -3.817 -8.300 5.866 1.00 12.21 H new ATOM 0 HH TYR A 46 -5.697 -8.685 6.958 1.00 54.32 H new ATOM 758 N ASP A 47 -1.510 -9.173 -0.906 1.00 11.25 N ATOM 759 CA ASP A 47 -0.698 -8.780 -2.075 1.00 11.43 C ATOM 760 C ASP A 47 -1.139 -7.453 -2.718 1.00 43.31 C ATOM 761 O ASP A 47 -0.654 -7.085 -3.795 1.00 24.12 O ATOM 762 CB ASP A 47 -0.573 -9.908 -3.123 1.00 14.00 C ATOM 763 CG ASP A 47 -1.880 -10.435 -3.692 1.00 32.43 C ATOM 764 OD1 ASP A 47 -2.453 -9.791 -4.596 1.00 10.12 O ATOM 765 OD2 ASP A 47 -2.306 -11.537 -3.281 1.00 35.14 O ATOM 0 H ASP A 47 -0.944 -9.445 -0.102 1.00 11.25 H new ATOM 0 HA ASP A 47 0.300 -8.603 -1.673 1.00 11.43 H new ATOM 0 HB2 ASP A 47 0.039 -9.544 -3.948 1.00 14.00 H new ATOM 0 HB3 ASP A 47 -0.035 -10.740 -2.670 1.00 14.00 H new ATOM 770 N TYR A 48 -2.014 -6.725 -2.033 1.00 3.32 N ATOM 771 CA TYR A 48 -2.363 -5.354 -2.388 1.00 41.12 C ATOM 772 C TYR A 48 -2.422 -4.528 -1.109 1.00 0.24 C ATOM 773 O TYR A 48 -3.271 -4.768 -0.245 1.00 21.21 O ATOM 774 CB TYR A 48 -3.714 -5.285 -3.123 1.00 4.13 C ATOM 775 CG TYR A 48 -3.694 -5.878 -4.521 1.00 63.20 C ATOM 776 CD1 TYR A 48 -3.033 -5.229 -5.562 1.00 24.23 C ATOM 777 CD2 TYR A 48 -4.338 -7.076 -4.804 1.00 51.24 C ATOM 778 CE1 TYR A 48 -3.018 -5.759 -6.838 1.00 5.54 C ATOM 779 CE2 TYR A 48 -4.326 -7.612 -6.077 1.00 64.22 C ATOM 780 CZ TYR A 48 -3.665 -6.951 -7.090 1.00 72.13 C ATOM 781 OH TYR A 48 -3.651 -7.485 -8.359 1.00 10.14 O ATOM 0 H TYR A 48 -2.505 -7.072 -1.209 1.00 3.32 H new ATOM 0 HA TYR A 48 -1.606 -4.959 -3.065 1.00 41.12 H new ATOM 0 HB2 TYR A 48 -4.465 -5.807 -2.530 1.00 4.13 H new ATOM 0 HB3 TYR A 48 -4.027 -4.243 -3.187 1.00 4.13 H new ATOM 0 HD1 TYR A 48 -2.524 -4.296 -5.368 1.00 24.23 H new ATOM 0 HD2 TYR A 48 -4.858 -7.598 -4.014 1.00 51.24 H new ATOM 0 HE1 TYR A 48 -2.502 -5.243 -7.634 1.00 5.54 H new ATOM 0 HE2 TYR A 48 -4.832 -8.545 -6.278 1.00 64.22 H new ATOM 0 HH TYR A 48 -4.526 -7.351 -8.780 1.00 10.14 H new ATOM 791 N ILE A 49 -1.514 -3.569 -0.984 1.00 11.53 N ATOM 792 CA ILE A 49 -1.392 -2.776 0.236 1.00 14.21 C ATOM 793 C ILE A 49 -1.746 -1.324 -0.039 1.00 54.12 C ATOM 794 O ILE A 49 -1.058 -0.645 -0.801 1.00 24.30 O ATOM 795 CB ILE A 49 0.047 -2.849 0.809 1.00 35.43 C ATOM 796 CG1 ILE A 49 0.465 -4.310 1.053 1.00 73.33 C ATOM 797 CG2 ILE A 49 0.153 -2.036 2.097 1.00 33.33 C ATOM 798 CD1 ILE A 49 -0.411 -5.042 2.050 1.00 65.34 C ATOM 0 H ILE A 49 -0.848 -3.319 -1.715 1.00 11.53 H new ATOM 0 HA ILE A 49 -2.085 -3.190 0.969 1.00 14.21 H new ATOM 0 HB ILE A 49 0.729 -2.420 0.075 1.00 35.43 H new ATOM 0 HG12 ILE A 49 0.445 -4.846 0.104 1.00 73.33 H new ATOM 0 HG13 ILE A 49 1.495 -4.328 1.408 1.00 73.33 H new ATOM 0 HG21 ILE A 49 1.170 -2.099 2.484 1.00 33.33 H new ATOM 0 HG22 ILE A 49 -0.093 -0.994 1.891 1.00 33.33 H new ATOM 0 HG23 ILE A 49 -0.542 -2.433 2.836 1.00 33.33 H new ATOM 0 HD11 ILE A 49 -0.052 -6.065 2.167 1.00 65.34 H new ATOM 0 HD12 ILE A 49 -0.372 -4.531 3.012 1.00 65.34 H new ATOM 0 HD13 ILE A 49 -1.439 -5.057 1.688 1.00 65.34 H new ATOM 810 N VAL A 50 -2.826 -0.859 0.571 1.00 61.34 N ATOM 811 CA VAL A 50 -3.261 0.520 0.421 1.00 63.53 C ATOM 812 C VAL A 50 -2.928 1.315 1.674 1.00 15.32 C ATOM 813 O VAL A 50 -3.502 1.075 2.737 1.00 34.12 O ATOM 814 CB VAL A 50 -4.780 0.604 0.153 1.00 75.20 C ATOM 815 CG1 VAL A 50 -5.235 2.059 0.033 1.00 72.44 C ATOM 816 CG2 VAL A 50 -5.144 -0.195 -1.095 1.00 72.21 C ATOM 0 H VAL A 50 -3.421 -1.422 1.179 1.00 61.34 H new ATOM 0 HA VAL A 50 -2.733 0.942 -0.434 1.00 63.53 H new ATOM 0 HB VAL A 50 -5.305 0.166 1.002 1.00 75.20 H new ATOM 0 HG11 VAL A 50 -6.308 2.090 -0.156 1.00 72.44 H new ATOM 0 HG12 VAL A 50 -5.014 2.587 0.961 1.00 72.44 H new ATOM 0 HG13 VAL A 50 -4.708 2.538 -0.792 1.00 72.44 H new ATOM 0 HG21 VAL A 50 -6.218 -0.126 -1.271 1.00 72.21 H new ATOM 0 HG22 VAL A 50 -4.609 0.209 -1.954 1.00 72.21 H new ATOM 0 HG23 VAL A 50 -4.866 -1.239 -0.952 1.00 72.21 H new ATOM 826 N GLY A 51 -1.986 2.240 1.554 1.00 73.52 N ATOM 827 CA GLY A 51 -1.665 3.117 2.658 1.00 11.41 C ATOM 828 C GLY A 51 -2.466 4.396 2.582 1.00 24.42 C ATOM 829 O GLY A 51 -2.357 5.141 1.607 1.00 71.30 O ATOM 0 H GLY A 51 -1.438 2.398 0.708 1.00 73.52 H new ATOM 0 HA2 GLY A 51 -1.870 2.611 3.601 1.00 11.41 H new ATOM 0 HA3 GLY A 51 -0.600 3.349 2.645 1.00 11.41 H new ATOM 833 N ASP A 52 -3.263 4.649 3.609 1.00 54.23 N ATOM 834 CA ASP A 52 -4.135 5.818 3.648 1.00 4.04 C ATOM 835 C ASP A 52 -3.775 6.682 4.846 1.00 65.32 C ATOM 836 O ASP A 52 -3.640 6.172 5.963 1.00 1.20 O ATOM 837 CB ASP A 52 -5.606 5.377 3.731 1.00 30.05 C ATOM 838 CG ASP A 52 -6.587 6.546 3.742 1.00 50.31 C ATOM 839 OD1 ASP A 52 -6.999 6.996 2.651 1.00 44.33 O ATOM 840 OD2 ASP A 52 -6.955 7.009 4.844 1.00 72.24 O ATOM 0 H ASP A 52 -3.325 4.055 4.436 1.00 54.23 H new ATOM 0 HA ASP A 52 -3.999 6.399 2.736 1.00 4.04 H new ATOM 0 HB2 ASP A 52 -5.832 4.730 2.884 1.00 30.05 H new ATOM 0 HB3 ASP A 52 -5.750 4.783 4.633 1.00 30.05 H new ATOM 845 N TRP A 53 -3.567 7.975 4.610 1.00 74.41 N ATOM 846 CA TRP A 53 -3.316 8.911 5.698 1.00 53.31 C ATOM 847 C TRP A 53 -4.643 9.401 6.269 1.00 60.12 C ATOM 848 O TRP A 53 -4.805 9.509 7.488 1.00 51.03 O ATOM 849 CB TRP A 53 -2.462 10.090 5.213 1.00 33.14 C ATOM 850 CG TRP A 53 -1.060 9.696 4.821 1.00 52.53 C ATOM 851 CD1 TRP A 53 -0.664 9.128 3.644 1.00 24.12 C ATOM 852 CD2 TRP A 53 0.129 9.842 5.612 1.00 24.33 C ATOM 853 NE1 TRP A 53 0.695 8.920 3.652 1.00 61.32 N ATOM 854 CE2 TRP A 53 1.204 9.349 4.848 1.00 2.11 C ATOM 855 CE3 TRP A 53 0.387 10.345 6.889 1.00 52.10 C ATOM 856 CZ2 TRP A 53 2.514 9.342 5.319 1.00 15.43 C ATOM 857 CZ3 TRP A 53 1.688 10.337 7.358 1.00 62.21 C ATOM 858 CH2 TRP A 53 2.737 9.842 6.572 1.00 31.33 C ATOM 0 H TRP A 53 -3.568 8.395 3.680 1.00 74.41 H new ATOM 0 HA TRP A 53 -2.761 8.400 6.485 1.00 53.31 H new ATOM 0 HB2 TRP A 53 -2.952 10.556 4.358 1.00 33.14 H new ATOM 0 HB3 TRP A 53 -2.413 10.841 6.001 1.00 33.14 H new ATOM 0 HD1 TRP A 53 -1.323 8.878 2.825 1.00 24.12 H new ATOM 0 HE1 TRP A 53 1.236 8.512 2.890 1.00 61.32 H new ATOM 0 HE3 TRP A 53 -0.415 10.733 7.499 1.00 52.10 H new ATOM 0 HZ2 TRP A 53 3.324 8.956 4.717 1.00 15.43 H new ATOM 0 HZ3 TRP A 53 1.899 10.718 8.346 1.00 62.21 H new ATOM 0 HH2 TRP A 53 3.743 9.856 6.964 1.00 31.33 H new ATOM 869 N GLY A 54 -5.583 9.686 5.369 1.00 72.44 N ATOM 870 CA GLY A 54 -6.932 10.086 5.744 1.00 45.01 C ATOM 871 C GLY A 54 -6.984 11.162 6.814 1.00 4.41 C ATOM 872 O GLY A 54 -6.950 12.356 6.514 1.00 62.13 O ATOM 0 H GLY A 54 -5.428 9.645 4.362 1.00 72.44 H new ATOM 0 HA2 GLY A 54 -7.453 10.446 4.857 1.00 45.01 H new ATOM 0 HA3 GLY A 54 -7.474 9.209 6.099 1.00 45.01 H new ATOM 876 N TYR A 55 -7.039 10.730 8.069 1.00 41.34 N ATOM 877 CA TYR A 55 -7.226 11.634 9.203 1.00 15.31 C ATOM 878 C TYR A 55 -5.887 12.158 9.719 1.00 61.24 C ATOM 879 O TYR A 55 -5.837 12.910 10.695 1.00 70.44 O ATOM 880 CB TYR A 55 -7.972 10.911 10.331 1.00 52.13 C ATOM 881 CG TYR A 55 -9.234 10.203 9.868 1.00 72.50 C ATOM 882 CD1 TYR A 55 -10.388 10.916 9.567 1.00 41.52 C ATOM 883 CD2 TYR A 55 -9.264 8.818 9.728 1.00 4.12 C ATOM 884 CE1 TYR A 55 -11.534 10.272 9.139 1.00 31.10 C ATOM 885 CE2 TYR A 55 -10.406 8.168 9.303 1.00 60.23 C ATOM 886 CZ TYR A 55 -11.539 8.899 9.010 1.00 22.33 C ATOM 887 OH TYR A 55 -12.680 8.256 8.581 1.00 32.40 O ATOM 0 H TYR A 55 -6.956 9.748 8.331 1.00 41.34 H new ATOM 0 HA TYR A 55 -7.816 12.485 8.864 1.00 15.31 H new ATOM 0 HB2 TYR A 55 -7.303 10.182 10.789 1.00 52.13 H new ATOM 0 HB3 TYR A 55 -8.233 11.633 11.104 1.00 52.13 H new ATOM 0 HD1 TYR A 55 -10.390 11.991 9.669 1.00 41.52 H new ATOM 0 HD2 TYR A 55 -8.379 8.242 9.956 1.00 4.12 H new ATOM 0 HE1 TYR A 55 -12.422 10.842 8.907 1.00 31.10 H new ATOM 0 HE2 TYR A 55 -10.412 7.093 9.200 1.00 60.23 H new ATOM 0 HH TYR A 55 -12.517 7.290 8.543 1.00 32.40 H new ATOM 897 N GLY A 56 -4.805 11.755 9.057 1.00 11.30 N ATOM 898 CA GLY A 56 -3.470 12.146 9.476 1.00 23.42 C ATOM 899 C GLY A 56 -2.736 11.013 10.169 1.00 42.12 C ATOM 900 O GLY A 56 -1.852 11.250 10.993 1.00 1.13 O ATOM 0 H GLY A 56 -4.831 11.159 8.230 1.00 11.30 H new ATOM 0 HA2 GLY A 56 -2.898 12.470 8.607 1.00 23.42 H new ATOM 0 HA3 GLY A 56 -3.537 13.000 10.150 1.00 23.42 H new ATOM 904 N GLN A 57 -3.102 9.781 9.833 1.00 44.33 N ATOM 905 CA GLN A 57 -2.464 8.598 10.402 1.00 65.54 C ATOM 906 C GLN A 57 -2.248 7.554 9.310 1.00 23.34 C ATOM 907 O GLN A 57 -3.202 7.092 8.688 1.00 40.51 O ATOM 908 CB GLN A 57 -3.318 8.025 11.548 1.00 14.10 C ATOM 909 CG GLN A 57 -4.746 7.658 11.156 1.00 30.25 C ATOM 910 CD GLN A 57 -5.553 7.136 12.331 1.00 22.03 C ATOM 911 OE1 GLN A 57 -5.573 5.935 12.608 1.00 32.22 O ATOM 912 NE2 GLN A 57 -6.208 8.036 13.047 1.00 63.22 N ATOM 0 H GLN A 57 -3.843 9.574 9.164 1.00 44.33 H new ATOM 0 HA GLN A 57 -1.494 8.878 10.814 1.00 65.54 H new ATOM 0 HB2 GLN A 57 -2.824 7.137 11.942 1.00 14.10 H new ATOM 0 HB3 GLN A 57 -3.354 8.755 12.357 1.00 14.10 H new ATOM 0 HG2 GLN A 57 -5.242 8.534 10.739 1.00 30.25 H new ATOM 0 HG3 GLN A 57 -4.721 6.902 10.371 1.00 30.25 H new ATOM 0 HE21 GLN A 57 -6.168 9.022 12.787 1.00 63.22 H new ATOM 0 HE22 GLN A 57 -6.753 7.744 13.858 1.00 63.22 H new ATOM 921 N LEU A 58 -0.990 7.197 9.068 1.00 34.14 N ATOM 922 CA LEU A 58 -0.658 6.266 7.995 1.00 72.42 C ATOM 923 C LEU A 58 -0.865 4.831 8.461 1.00 4.20 C ATOM 924 O LEU A 58 -0.115 4.321 9.297 1.00 45.33 O ATOM 925 CB LEU A 58 0.790 6.489 7.509 1.00 51.00 C ATOM 926 CG LEU A 58 1.203 5.749 6.212 1.00 4.53 C ATOM 927 CD1 LEU A 58 1.547 4.282 6.471 1.00 52.45 C ATOM 928 CD2 LEU A 58 0.103 5.856 5.157 1.00 72.10 C ATOM 0 H LEU A 58 -0.187 7.537 9.598 1.00 34.14 H new ATOM 0 HA LEU A 58 -1.324 6.451 7.152 1.00 72.42 H new ATOM 0 HB2 LEU A 58 0.938 7.558 7.354 1.00 51.00 H new ATOM 0 HB3 LEU A 58 1.469 6.186 8.306 1.00 51.00 H new ATOM 0 HG LEU A 58 2.104 6.236 5.838 1.00 4.53 H new ATOM 0 HD11 LEU A 58 1.831 3.804 5.533 1.00 52.45 H new ATOM 0 HD12 LEU A 58 2.377 4.222 7.175 1.00 52.45 H new ATOM 0 HD13 LEU A 58 0.679 3.773 6.890 1.00 52.45 H new ATOM 0 HD21 LEU A 58 0.413 5.330 4.254 1.00 72.10 H new ATOM 0 HD22 LEU A 58 -0.814 5.409 5.541 1.00 72.10 H new ATOM 0 HD23 LEU A 58 -0.075 6.905 4.922 1.00 72.10 H new ATOM 940 N ARG A 59 -1.898 4.197 7.927 1.00 3.24 N ATOM 941 CA ARG A 59 -2.189 2.798 8.208 1.00 41.45 C ATOM 942 C ARG A 59 -2.272 2.020 6.899 1.00 12.30 C ATOM 943 O ARG A 59 -2.793 2.526 5.903 1.00 20.41 O ATOM 944 CB ARG A 59 -3.505 2.676 8.997 1.00 31.25 C ATOM 945 CG ARG A 59 -3.996 1.242 9.183 1.00 23.24 C ATOM 946 CD ARG A 59 -5.228 1.180 10.080 1.00 70.25 C ATOM 947 NE ARG A 59 -4.925 1.602 11.451 1.00 41.03 N ATOM 948 CZ ARG A 59 -5.666 2.451 12.165 1.00 2.34 C ATOM 949 NH1 ARG A 59 -6.765 2.985 11.643 1.00 54.13 N ATOM 950 NH2 ARG A 59 -5.301 2.764 13.399 1.00 71.40 N ATOM 0 H ARG A 59 -2.559 4.637 7.287 1.00 3.24 H new ATOM 0 HA ARG A 59 -1.388 2.379 8.816 1.00 41.45 H new ATOM 0 HB2 ARG A 59 -3.370 3.132 9.978 1.00 31.25 H new ATOM 0 HB3 ARG A 59 -4.277 3.248 8.483 1.00 31.25 H new ATOM 0 HG2 ARG A 59 -4.231 0.809 8.211 1.00 23.24 H new ATOM 0 HG3 ARG A 59 -3.199 0.638 9.617 1.00 23.24 H new ATOM 0 HD2 ARG A 59 -6.010 1.818 9.668 1.00 70.25 H new ATOM 0 HD3 ARG A 59 -5.619 0.163 10.091 1.00 70.25 H new ATOM 0 HE ARG A 59 -4.088 1.219 11.890 1.00 41.03 H new ATOM 0 HH11 ARG A 59 -7.046 2.746 10.692 1.00 54.13 H new ATOM 0 HH12 ARG A 59 -7.328 3.634 12.193 1.00 54.13 H new ATOM 0 HH21 ARG A 59 -4.456 2.356 13.800 1.00 71.40 H new ATOM 0 HH22 ARG A 59 -5.865 3.413 13.948 1.00 71.40 H new ATOM 964 N LEU A 60 -1.735 0.805 6.893 1.00 54.33 N ATOM 965 CA LEU A 60 -1.775 -0.047 5.711 1.00 52.10 C ATOM 966 C LEU A 60 -2.997 -0.953 5.763 1.00 52.51 C ATOM 967 O LEU A 60 -3.100 -1.835 6.622 1.00 35.21 O ATOM 968 CB LEU A 60 -0.491 -0.882 5.596 1.00 42.21 C ATOM 969 CG LEU A 60 0.813 -0.075 5.469 1.00 61.13 C ATOM 970 CD1 LEU A 60 2.003 -1.004 5.265 1.00 52.25 C ATOM 971 CD2 LEU A 60 0.723 0.937 4.329 1.00 31.33 C ATOM 0 H LEU A 60 -1.265 0.387 7.696 1.00 54.33 H new ATOM 0 HA LEU A 60 -1.844 0.588 4.828 1.00 52.10 H new ATOM 0 HB2 LEU A 60 -0.416 -1.525 6.473 1.00 42.21 H new ATOM 0 HB3 LEU A 60 -0.580 -1.536 4.728 1.00 42.21 H new ATOM 0 HG LEU A 60 0.959 0.475 6.399 1.00 61.13 H new ATOM 0 HD11 LEU A 60 2.915 -0.413 5.178 1.00 52.25 H new ATOM 0 HD12 LEU A 60 2.088 -1.679 6.117 1.00 52.25 H new ATOM 0 HD13 LEU A 60 1.859 -1.586 4.354 1.00 52.25 H new ATOM 0 HD21 LEU A 60 1.658 1.493 4.262 1.00 31.33 H new ATOM 0 HD22 LEU A 60 0.545 0.413 3.390 1.00 31.33 H new ATOM 0 HD23 LEU A 60 -0.098 1.628 4.520 1.00 31.33 H new ATOM 983 N LYS A 61 -3.927 -0.712 4.853 1.00 64.23 N ATOM 984 CA LYS A 61 -5.170 -1.463 4.782 1.00 14.32 C ATOM 985 C LYS A 61 -5.093 -2.422 3.593 1.00 24.42 C ATOM 986 O LYS A 61 -4.864 -1.998 2.458 1.00 12.24 O ATOM 987 CB LYS A 61 -6.350 -0.476 4.647 1.00 61.52 C ATOM 988 CG LYS A 61 -7.674 -0.969 5.235 1.00 0.32 C ATOM 989 CD LYS A 61 -8.337 -2.044 4.382 1.00 11.41 C ATOM 990 CE LYS A 61 -9.684 -2.468 4.960 1.00 60.13 C ATOM 991 NZ LYS A 61 -10.597 -1.309 5.170 1.00 42.53 N ATOM 0 H LYS A 61 -3.841 0.013 4.140 1.00 64.23 H new ATOM 0 HA LYS A 61 -5.327 -2.050 5.687 1.00 14.32 H new ATOM 0 HB2 LYS A 61 -6.079 0.460 5.135 1.00 61.52 H new ATOM 0 HB3 LYS A 61 -6.499 -0.253 3.590 1.00 61.52 H new ATOM 0 HG2 LYS A 61 -7.497 -1.364 6.235 1.00 0.32 H new ATOM 0 HG3 LYS A 61 -8.355 -0.125 5.341 1.00 0.32 H new ATOM 0 HD2 LYS A 61 -8.477 -1.670 3.368 1.00 11.41 H new ATOM 0 HD3 LYS A 61 -7.680 -2.911 4.314 1.00 11.41 H new ATOM 0 HE2 LYS A 61 -10.157 -3.184 4.287 1.00 60.13 H new ATOM 0 HE3 LYS A 61 -9.525 -2.980 5.909 1.00 60.13 H new ATOM 0 HZ1 LYS A 61 -10.620 -1.064 6.180 1.00 42.53 H new ATOM 0 HZ2 LYS A 61 -10.254 -0.493 4.624 1.00 42.53 H new ATOM 0 HZ3 LYS A 61 -11.555 -1.560 4.852 1.00 42.53 H new ATOM 1005 N GLY A 62 -5.258 -3.714 3.861 1.00 70.34 N ATOM 1006 CA GLY A 62 -5.096 -4.718 2.822 1.00 61.21 C ATOM 1007 C GLY A 62 -6.368 -4.953 2.034 1.00 43.00 C ATOM 1008 O GLY A 62 -7.467 -4.929 2.596 1.00 35.12 O ATOM 0 H GLY A 62 -5.501 -4.085 4.780 1.00 70.34 H new ATOM 0 HA2 GLY A 62 -4.304 -4.406 2.141 1.00 61.21 H new ATOM 0 HA3 GLY A 62 -4.776 -5.656 3.275 1.00 61.21 H new ATOM 1012 N PHE A 63 -6.220 -5.176 0.735 1.00 62.21 N ATOM 1013 CA PHE A 63 -7.350 -5.470 -0.145 1.00 25.54 C ATOM 1014 C PHE A 63 -7.060 -6.710 -0.983 1.00 12.11 C ATOM 1015 O PHE A 63 -5.929 -7.193 -1.023 1.00 14.14 O ATOM 1016 CB PHE A 63 -7.650 -4.280 -1.070 1.00 60.04 C ATOM 1017 CG PHE A 63 -8.328 -3.117 -0.382 1.00 31.40 C ATOM 1018 CD1 PHE A 63 -7.587 -2.155 0.290 1.00 12.31 C ATOM 1019 CD2 PHE A 63 -9.712 -2.989 -0.410 1.00 1.12 C ATOM 1020 CE1 PHE A 63 -8.210 -1.093 0.918 1.00 22.12 C ATOM 1021 CE2 PHE A 63 -10.337 -1.930 0.216 1.00 0.14 C ATOM 1022 CZ PHE A 63 -9.585 -0.980 0.880 1.00 64.43 C ATOM 0 H PHE A 63 -5.318 -5.159 0.260 1.00 62.21 H new ATOM 0 HA PHE A 63 -8.224 -5.654 0.480 1.00 25.54 H new ATOM 0 HB2 PHE A 63 -6.716 -3.932 -1.511 1.00 60.04 H new ATOM 0 HB3 PHE A 63 -8.282 -4.622 -1.890 1.00 60.04 H new ATOM 0 HD1 PHE A 63 -6.511 -2.237 0.323 1.00 12.31 H new ATOM 0 HD2 PHE A 63 -10.305 -3.728 -0.928 1.00 1.12 H new ATOM 0 HE1 PHE A 63 -7.621 -0.352 1.438 1.00 22.12 H new ATOM 0 HE2 PHE A 63 -11.413 -1.844 0.187 1.00 0.14 H new ATOM 0 HZ PHE A 63 -10.073 -0.150 1.369 1.00 64.43 H new ATOM 1032 N PHE A 64 -8.091 -7.218 -1.644 1.00 61.04 N ATOM 1033 CA PHE A 64 -7.963 -8.369 -2.529 1.00 63.04 C ATOM 1034 C PHE A 64 -8.082 -7.920 -3.984 1.00 20.11 C ATOM 1035 O PHE A 64 -8.434 -6.768 -4.253 1.00 12.13 O ATOM 1036 CB PHE A 64 -9.042 -9.412 -2.206 1.00 22.41 C ATOM 1037 CG PHE A 64 -8.938 -9.981 -0.810 1.00 73.21 C ATOM 1038 CD1 PHE A 64 -8.074 -11.035 -0.537 1.00 64.03 C ATOM 1039 CD2 PHE A 64 -9.700 -9.463 0.229 1.00 12.32 C ATOM 1040 CE1 PHE A 64 -7.974 -11.558 0.739 1.00 2.22 C ATOM 1041 CE2 PHE A 64 -9.602 -9.983 1.506 1.00 33.13 C ATOM 1042 CZ PHE A 64 -8.739 -11.032 1.760 1.00 40.23 C ATOM 0 H PHE A 64 -9.038 -6.845 -1.583 1.00 61.04 H new ATOM 0 HA PHE A 64 -6.984 -8.824 -2.377 1.00 63.04 H new ATOM 0 HB2 PHE A 64 -10.024 -8.956 -2.331 1.00 22.41 H new ATOM 0 HB3 PHE A 64 -8.975 -10.227 -2.927 1.00 22.41 H new ATOM 0 HD1 PHE A 64 -7.473 -11.451 -1.332 1.00 64.03 H new ATOM 0 HD2 PHE A 64 -10.377 -8.644 0.037 1.00 12.32 H new ATOM 0 HE1 PHE A 64 -7.298 -12.377 0.936 1.00 2.22 H new ATOM 0 HE2 PHE A 64 -10.200 -9.570 2.305 1.00 33.13 H new ATOM 0 HZ PHE A 64 -8.663 -11.440 2.757 1.00 40.23 H new ATOM 1052 N ASP A 65 -7.787 -8.821 -4.914 1.00 11.15 N ATOM 1053 CA ASP A 65 -7.908 -8.516 -6.337 1.00 64.21 C ATOM 1054 C ASP A 65 -9.360 -8.181 -6.685 1.00 1.53 C ATOM 1055 O ASP A 65 -10.289 -8.904 -6.308 1.00 42.44 O ATOM 1056 CB ASP A 65 -7.395 -9.684 -7.199 1.00 35.11 C ATOM 1057 CG ASP A 65 -8.223 -10.954 -7.058 1.00 1.22 C ATOM 1058 OD1 ASP A 65 -8.240 -11.540 -5.956 1.00 14.31 O ATOM 1059 OD2 ASP A 65 -8.857 -11.378 -8.045 1.00 73.54 O ATOM 0 H ASP A 65 -7.463 -9.767 -4.710 1.00 11.15 H new ATOM 0 HA ASP A 65 -7.289 -7.646 -6.555 1.00 64.21 H new ATOM 0 HB2 ASP A 65 -7.390 -9.378 -8.245 1.00 35.11 H new ATOM 0 HB3 ASP A 65 -6.363 -9.901 -6.925 1.00 35.11 H new ATOM 1064 N ASP A 66 -9.547 -7.066 -7.379 1.00 32.13 N ATOM 1065 CA ASP A 66 -10.879 -6.587 -7.744 1.00 62.41 C ATOM 1066 C ASP A 66 -11.017 -6.537 -9.261 1.00 42.35 C ATOM 1067 O ASP A 66 -10.019 -6.646 -9.977 1.00 72.43 O ATOM 1068 CB ASP A 66 -11.129 -5.202 -7.124 1.00 31.54 C ATOM 1069 CG ASP A 66 -12.528 -4.659 -7.390 1.00 11.10 C ATOM 1070 OD1 ASP A 66 -13.509 -5.402 -7.179 1.00 45.43 O ATOM 1071 OD2 ASP A 66 -12.650 -3.486 -7.803 1.00 41.43 O ATOM 0 H ASP A 66 -8.786 -6.469 -7.704 1.00 32.13 H new ATOM 0 HA ASP A 66 -11.628 -7.276 -7.354 1.00 62.41 H new ATOM 0 HB2 ASP A 66 -10.970 -5.261 -6.047 1.00 31.54 H new ATOM 0 HB3 ASP A 66 -10.394 -4.499 -7.517 1.00 31.54 H new ATOM 1076 N GLN A 67 -12.256 -6.380 -9.732 1.00 44.02 N ATOM 1077 CA GLN A 67 -12.575 -6.408 -11.160 1.00 12.14 C ATOM 1078 C GLN A 67 -12.361 -7.819 -11.703 1.00 1.22 C ATOM 1079 O GLN A 67 -13.326 -8.538 -11.957 1.00 21.40 O ATOM 1080 CB GLN A 67 -11.742 -5.383 -11.952 1.00 33.11 C ATOM 1081 CG GLN A 67 -11.910 -3.942 -11.477 1.00 53.41 C ATOM 1082 CD GLN A 67 -13.354 -3.476 -11.512 1.00 2.04 C ATOM 1083 OE1 GLN A 67 -13.829 -2.956 -12.525 1.00 13.14 O ATOM 1084 NE2 GLN A 67 -14.062 -3.645 -10.407 1.00 44.25 N ATOM 0 H GLN A 67 -13.067 -6.230 -9.132 1.00 44.02 H new ATOM 0 HA GLN A 67 -13.622 -6.129 -11.283 1.00 12.14 H new ATOM 0 HB2 GLN A 67 -10.689 -5.656 -11.884 1.00 33.11 H new ATOM 0 HB3 GLN A 67 -12.019 -5.442 -13.005 1.00 33.11 H new ATOM 0 HG2 GLN A 67 -11.529 -3.853 -10.460 1.00 53.41 H new ATOM 0 HG3 GLN A 67 -11.306 -3.285 -12.103 1.00 53.41 H new ATOM 0 HE21 GLN A 67 -13.635 -4.079 -9.589 1.00 44.25 H new ATOM 0 HE22 GLN A 67 -15.035 -3.341 -10.373 1.00 44.25 H new ATOM 1093 N ASN A 68 -11.089 -8.203 -11.848 1.00 71.15 N ATOM 1094 CA ASN A 68 -10.689 -9.560 -12.246 1.00 64.32 C ATOM 1095 C ASN A 68 -11.368 -10.015 -13.546 1.00 34.34 C ATOM 1096 O ASN A 68 -10.752 -10.013 -14.615 1.00 52.23 O ATOM 1097 CB ASN A 68 -10.984 -10.562 -11.110 1.00 63.43 C ATOM 1098 CG ASN A 68 -10.491 -11.968 -11.420 1.00 73.20 C ATOM 1099 OD1 ASN A 68 -9.471 -12.155 -12.085 1.00 55.11 O ATOM 1100 ND2 ASN A 68 -11.207 -12.968 -10.930 1.00 53.13 N ATOM 0 H ASN A 68 -10.300 -7.576 -11.691 1.00 71.15 H new ATOM 0 HA ASN A 68 -9.616 -9.534 -12.436 1.00 64.32 H new ATOM 0 HB2 ASN A 68 -10.514 -10.211 -10.191 1.00 63.43 H new ATOM 0 HB3 ASN A 68 -12.058 -10.591 -10.927 1.00 63.43 H new ATOM 0 HD21 ASN A 68 -10.919 -13.932 -11.099 1.00 53.13 H new ATOM 0 HD22 ASN A 68 -12.046 -12.775 -10.384 1.00 53.13 H new ATOM 1107 N GLN A 69 -12.640 -10.400 -13.442 1.00 50.04 N ATOM 1108 CA GLN A 69 -13.392 -10.924 -14.581 1.00 72.14 C ATOM 1109 C GLN A 69 -13.998 -9.786 -15.402 1.00 14.14 C ATOM 1110 O GLN A 69 -14.124 -9.890 -16.626 1.00 14.54 O ATOM 1111 CB GLN A 69 -14.501 -11.870 -14.093 1.00 54.53 C ATOM 1112 CG GLN A 69 -13.997 -12.990 -13.188 1.00 12.21 C ATOM 1113 CD GLN A 69 -15.104 -13.936 -12.760 1.00 21.51 C ATOM 1114 OE1 GLN A 69 -15.359 -14.947 -13.416 1.00 63.12 O ATOM 1115 NE2 GLN A 69 -15.777 -13.610 -11.667 1.00 33.44 N ATOM 0 H GLN A 69 -13.174 -10.358 -12.574 1.00 50.04 H new ATOM 0 HA GLN A 69 -12.704 -11.480 -15.218 1.00 72.14 H new ATOM 0 HB2 GLN A 69 -15.251 -11.290 -13.555 1.00 54.53 H new ATOM 0 HB3 GLN A 69 -14.998 -12.309 -14.958 1.00 54.53 H new ATOM 0 HG2 GLN A 69 -13.224 -13.554 -13.710 1.00 12.21 H new ATOM 0 HG3 GLN A 69 -13.532 -12.556 -12.303 1.00 12.21 H new ATOM 0 HE21 GLN A 69 -15.534 -12.764 -11.152 1.00 33.44 H new ATOM 0 HE22 GLN A 69 -16.538 -14.205 -11.340 1.00 33.44 H new ATOM 1124 N LYS A 70 -14.373 -8.701 -14.729 1.00 43.24 N ATOM 1125 CA LYS A 70 -14.981 -7.557 -15.405 1.00 10.52 C ATOM 1126 C LYS A 70 -13.891 -6.606 -15.893 1.00 53.40 C ATOM 1127 O LYS A 70 -13.506 -5.674 -15.182 1.00 21.14 O ATOM 1128 CB LYS A 70 -15.962 -6.821 -14.471 1.00 53.42 C ATOM 1129 CG LYS A 70 -16.929 -5.895 -15.208 1.00 41.33 C ATOM 1130 CD LYS A 70 -17.817 -5.096 -14.251 1.00 61.41 C ATOM 1131 CE LYS A 70 -17.076 -3.922 -13.622 1.00 74.13 C ATOM 1132 NZ LYS A 70 -16.745 -2.876 -14.626 1.00 42.41 N ATOM 0 H LYS A 70 -14.267 -8.589 -13.721 1.00 43.24 H new ATOM 0 HA LYS A 70 -15.547 -7.921 -16.263 1.00 10.52 H new ATOM 0 HB2 LYS A 70 -16.535 -7.557 -13.907 1.00 53.42 H new ATOM 0 HB3 LYS A 70 -15.393 -6.237 -13.747 1.00 53.42 H new ATOM 0 HG2 LYS A 70 -16.362 -5.206 -15.834 1.00 41.33 H new ATOM 0 HG3 LYS A 70 -17.557 -6.486 -15.874 1.00 41.33 H new ATOM 0 HD2 LYS A 70 -18.689 -4.726 -14.791 1.00 61.41 H new ATOM 0 HD3 LYS A 70 -18.185 -5.755 -13.464 1.00 61.41 H new ATOM 0 HE2 LYS A 70 -17.688 -3.487 -12.832 1.00 74.13 H new ATOM 0 HE3 LYS A 70 -16.159 -4.280 -13.154 1.00 74.13 H new ATOM 0 HZ1 LYS A 70 -16.527 -1.984 -14.139 1.00 42.41 H new ATOM 0 HZ2 LYS A 70 -15.920 -3.177 -15.182 1.00 42.41 H new ATOM 0 HZ3 LYS A 70 -17.557 -2.734 -15.260 1.00 42.41 H new ATOM 1146 N ALA A 71 -13.386 -6.875 -17.099 1.00 21.22 N ATOM 1147 CA ALA A 71 -12.295 -6.105 -17.700 1.00 35.11 C ATOM 1148 C ALA A 71 -10.991 -6.296 -16.919 1.00 24.25 C ATOM 1149 O ALA A 71 -10.983 -6.355 -15.687 1.00 43.44 O ATOM 1150 CB ALA A 71 -12.656 -4.625 -17.814 1.00 72.50 C ATOM 0 H ALA A 71 -13.724 -7.636 -17.688 1.00 21.22 H new ATOM 0 HA ALA A 71 -12.140 -6.485 -18.710 1.00 35.11 H new ATOM 0 HB1 ALA A 71 -11.825 -4.081 -18.264 1.00 72.50 H new ATOM 0 HB2 ALA A 71 -13.543 -4.514 -18.438 1.00 72.50 H new ATOM 0 HB3 ALA A 71 -12.858 -4.222 -16.821 1.00 72.50 H new ATOM 1156 N THR A 72 -9.887 -6.394 -17.645 1.00 33.41 N ATOM 1157 CA THR A 72 -8.600 -6.693 -17.038 1.00 51.31 C ATOM 1158 C THR A 72 -7.988 -5.447 -16.389 1.00 32.43 C ATOM 1159 O THR A 72 -7.152 -4.764 -16.987 1.00 60.32 O ATOM 1160 CB THR A 72 -7.625 -7.282 -18.083 1.00 20.33 C ATOM 1161 OG1 THR A 72 -8.267 -8.355 -18.793 1.00 62.52 O ATOM 1162 CG2 THR A 72 -6.348 -7.798 -17.422 1.00 3.10 C ATOM 0 H THR A 72 -9.858 -6.270 -18.657 1.00 33.41 H new ATOM 0 HA THR A 72 -8.769 -7.435 -16.258 1.00 51.31 H new ATOM 0 HB THR A 72 -7.352 -6.488 -18.778 1.00 20.33 H new ATOM 0 HG1 THR A 72 -7.647 -8.725 -19.456 1.00 62.52 H new ATOM 0 HG21 THR A 72 -5.683 -8.206 -18.184 1.00 3.10 H new ATOM 0 HG22 THR A 72 -5.849 -6.978 -16.906 1.00 3.10 H new ATOM 0 HG23 THR A 72 -6.600 -8.579 -16.704 1.00 3.10 H new ATOM 1170 N PHE A 73 -8.450 -5.130 -15.181 1.00 73.21 N ATOM 1171 CA PHE A 73 -7.875 -4.046 -14.386 1.00 0.55 C ATOM 1172 C PHE A 73 -7.232 -4.613 -13.122 1.00 1.04 C ATOM 1173 O PHE A 73 -7.919 -4.916 -12.150 1.00 45.32 O ATOM 1174 CB PHE A 73 -8.940 -3.002 -14.014 1.00 24.55 C ATOM 1175 CG PHE A 73 -9.509 -2.254 -15.194 1.00 51.10 C ATOM 1176 CD1 PHE A 73 -8.692 -1.452 -15.981 1.00 45.42 C ATOM 1177 CD2 PHE A 73 -10.856 -2.349 -15.517 1.00 71.15 C ATOM 1178 CE1 PHE A 73 -9.207 -0.764 -17.063 1.00 3.44 C ATOM 1179 CE2 PHE A 73 -11.374 -1.661 -16.599 1.00 61.23 C ATOM 1180 CZ PHE A 73 -10.548 -0.869 -17.373 1.00 51.15 C ATOM 0 H PHE A 73 -9.227 -5.612 -14.729 1.00 73.21 H new ATOM 0 HA PHE A 73 -7.114 -3.550 -14.988 1.00 0.55 H new ATOM 0 HB2 PHE A 73 -9.754 -3.501 -13.487 1.00 24.55 H new ATOM 0 HB3 PHE A 73 -8.503 -2.285 -13.319 1.00 24.55 H new ATOM 0 HD1 PHE A 73 -7.642 -1.365 -15.744 1.00 45.42 H new ATOM 0 HD2 PHE A 73 -11.507 -2.967 -14.916 1.00 71.15 H new ATOM 0 HE1 PHE A 73 -8.560 -0.144 -17.666 1.00 3.44 H new ATOM 0 HE2 PHE A 73 -12.424 -1.743 -16.839 1.00 61.23 H new ATOM 0 HZ PHE A 73 -10.951 -0.333 -18.219 1.00 51.15 H new ATOM 1190 N GLU A 74 -5.916 -4.788 -13.161 1.00 42.42 N ATOM 1191 CA GLU A 74 -5.159 -5.286 -12.012 1.00 2.11 C ATOM 1192 C GLU A 74 -4.594 -4.114 -11.208 1.00 24.01 C ATOM 1193 O GLU A 74 -4.417 -4.200 -9.992 1.00 41.34 O ATOM 1194 CB GLU A 74 -4.027 -6.203 -12.501 1.00 40.23 C ATOM 1195 CG GLU A 74 -3.123 -6.738 -11.393 1.00 45.31 C ATOM 1196 CD GLU A 74 -1.993 -7.607 -11.929 1.00 32.04 C ATOM 1197 OE1 GLU A 74 -1.049 -7.055 -12.535 1.00 53.25 O ATOM 1198 OE2 GLU A 74 -2.046 -8.844 -11.761 1.00 23.23 O ATOM 0 H GLU A 74 -5.344 -4.591 -13.983 1.00 42.42 H new ATOM 0 HA GLU A 74 -5.821 -5.859 -11.363 1.00 2.11 H new ATOM 0 HB2 GLU A 74 -4.465 -7.047 -13.035 1.00 40.23 H new ATOM 0 HB3 GLU A 74 -3.416 -5.655 -13.218 1.00 40.23 H new ATOM 0 HG2 GLU A 74 -2.701 -5.901 -10.838 1.00 45.31 H new ATOM 0 HG3 GLU A 74 -3.721 -7.318 -10.690 1.00 45.31 H new ATOM 1205 N THR A 75 -4.331 -3.016 -11.903 1.00 52.43 N ATOM 1206 CA THR A 75 -3.742 -1.833 -11.293 1.00 3.11 C ATOM 1207 C THR A 75 -4.806 -0.940 -10.650 1.00 33.11 C ATOM 1208 O THR A 75 -4.514 -0.190 -9.715 1.00 64.23 O ATOM 1209 CB THR A 75 -2.948 -1.033 -12.348 1.00 52.23 C ATOM 1210 OG1 THR A 75 -3.726 -0.914 -13.552 1.00 33.22 O ATOM 1211 CG2 THR A 75 -1.618 -1.714 -12.667 1.00 50.32 C ATOM 0 H THR A 75 -4.519 -2.921 -12.901 1.00 52.43 H new ATOM 0 HA THR A 75 -3.066 -2.166 -10.505 1.00 3.11 H new ATOM 0 HB THR A 75 -2.741 -0.043 -11.941 1.00 52.23 H new ATOM 0 HG1 THR A 75 -3.220 -0.404 -14.219 1.00 33.22 H new ATOM 0 HG21 THR A 75 -1.079 -1.129 -13.413 1.00 50.32 H new ATOM 0 HG22 THR A 75 -1.019 -1.785 -11.759 1.00 50.32 H new ATOM 0 HG23 THR A 75 -1.806 -2.714 -13.057 1.00 50.32 H new ATOM 1219 N LYS A 76 -6.040 -1.025 -11.149 1.00 52.21 N ATOM 1220 CA LYS A 76 -7.141 -0.222 -10.615 1.00 71.10 C ATOM 1221 C LYS A 76 -8.155 -1.087 -9.875 1.00 61.44 C ATOM 1222 O LYS A 76 -8.805 -1.950 -10.469 1.00 44.32 O ATOM 1223 CB LYS A 76 -7.849 0.560 -11.715 1.00 3.51 C ATOM 1224 CG LYS A 76 -8.940 1.462 -11.153 1.00 70.02 C ATOM 1225 CD LYS A 76 -9.606 2.282 -12.233 1.00 21.22 C ATOM 1226 CE LYS A 76 -10.817 3.033 -11.690 1.00 14.54 C ATOM 1227 NZ LYS A 76 -11.455 3.901 -12.717 1.00 75.30 N ATOM 0 H LYS A 76 -6.302 -1.640 -11.920 1.00 52.21 H new ATOM 0 HA LYS A 76 -6.699 0.484 -9.911 1.00 71.10 H new ATOM 0 HB2 LYS A 76 -7.122 1.164 -12.258 1.00 3.51 H new ATOM 0 HB3 LYS A 76 -8.285 -0.135 -12.432 1.00 3.51 H new ATOM 0 HG2 LYS A 76 -9.689 0.853 -10.646 1.00 70.02 H new ATOM 0 HG3 LYS A 76 -8.510 2.128 -10.405 1.00 70.02 H new ATOM 0 HD2 LYS A 76 -8.890 2.992 -12.647 1.00 21.22 H new ATOM 0 HD3 LYS A 76 -9.916 1.629 -13.049 1.00 21.22 H new ATOM 0 HE2 LYS A 76 -11.549 2.316 -11.319 1.00 14.54 H new ATOM 0 HE3 LYS A 76 -10.511 3.644 -10.841 1.00 14.54 H new ATOM 0 HZ1 LYS A 76 -12.273 4.390 -12.299 1.00 75.30 H new ATOM 0 HZ2 LYS A 76 -10.766 4.604 -13.054 1.00 75.30 H new ATOM 0 HZ3 LYS A 76 -11.772 3.317 -13.517 1.00 75.30 H new ATOM 1241 N ILE A 77 -8.282 -0.847 -8.577 1.00 42.23 N ATOM 1242 CA ILE A 77 -9.307 -1.489 -7.764 1.00 75.02 C ATOM 1243 C ILE A 77 -10.520 -0.557 -7.669 1.00 2.32 C ATOM 1244 O ILE A 77 -10.445 0.515 -7.063 1.00 33.42 O ATOM 1245 CB ILE A 77 -8.765 -1.822 -6.346 1.00 24.03 C ATOM 1246 CG1 ILE A 77 -7.561 -2.776 -6.446 1.00 44.44 C ATOM 1247 CG2 ILE A 77 -9.859 -2.421 -5.466 1.00 3.44 C ATOM 1248 CD1 ILE A 77 -6.952 -3.140 -5.105 1.00 21.12 C ATOM 0 H ILE A 77 -7.681 -0.205 -8.060 1.00 42.23 H new ATOM 0 HA ILE A 77 -9.600 -2.428 -8.233 1.00 75.02 H new ATOM 0 HB ILE A 77 -8.435 -0.894 -5.880 1.00 24.03 H new ATOM 0 HG12 ILE A 77 -7.875 -3.689 -6.951 1.00 44.44 H new ATOM 0 HG13 ILE A 77 -6.795 -2.314 -7.069 1.00 44.44 H new ATOM 0 HG21 ILE A 77 -9.451 -2.644 -4.480 1.00 3.44 H new ATOM 0 HG22 ILE A 77 -10.678 -1.708 -5.367 1.00 3.44 H new ATOM 0 HG23 ILE A 77 -10.230 -3.339 -5.921 1.00 3.44 H new ATOM 0 HD11 ILE A 77 -6.110 -3.815 -5.259 1.00 21.12 H new ATOM 0 HD12 ILE A 77 -6.606 -2.235 -4.605 1.00 21.12 H new ATOM 0 HD13 ILE A 77 -7.702 -3.632 -4.486 1.00 21.12 H new ATOM 1260 N SER A 78 -11.629 -0.957 -8.282 1.00 43.52 N ATOM 1261 CA SER A 78 -12.800 -0.092 -8.403 1.00 1.14 C ATOM 1262 C SER A 78 -13.377 0.259 -7.031 1.00 72.33 C ATOM 1263 O SER A 78 -13.658 1.428 -6.748 1.00 62.45 O ATOM 1264 CB SER A 78 -13.869 -0.757 -9.275 1.00 54.31 C ATOM 1265 OG SER A 78 -14.955 0.119 -9.522 1.00 60.12 O ATOM 0 H SER A 78 -11.743 -1.878 -8.705 1.00 43.52 H new ATOM 0 HA SER A 78 -12.482 0.835 -8.881 1.00 1.14 H new ATOM 0 HB2 SER A 78 -13.427 -1.067 -10.222 1.00 54.31 H new ATOM 0 HB3 SER A 78 -14.232 -1.659 -8.783 1.00 54.31 H new ATOM 0 HG SER A 78 -15.620 -0.334 -10.082 1.00 60.12 H new ATOM 1271 N THR A 79 -13.537 -0.752 -6.179 1.00 71.44 N ATOM 1272 CA THR A 79 -14.062 -0.540 -4.833 1.00 3.11 C ATOM 1273 C THR A 79 -13.124 0.364 -4.023 1.00 62.02 C ATOM 1274 O THR A 79 -13.553 1.054 -3.097 1.00 32.14 O ATOM 1275 CB THR A 79 -14.293 -1.885 -4.093 1.00 60.21 C ATOM 1276 OG1 THR A 79 -14.836 -1.651 -2.785 1.00 14.30 O ATOM 1277 CG2 THR A 79 -13.002 -2.690 -3.974 1.00 4.32 C ATOM 0 H THR A 79 -13.311 -1.723 -6.396 1.00 71.44 H new ATOM 0 HA THR A 79 -15.028 -0.044 -4.930 1.00 3.11 H new ATOM 0 HB THR A 79 -15.003 -2.463 -4.684 1.00 60.21 H new ATOM 0 HG1 THR A 79 -14.978 -2.508 -2.331 1.00 14.30 H new ATOM 0 HG21 THR A 79 -13.203 -3.625 -3.451 1.00 4.32 H new ATOM 0 HG22 THR A 79 -12.616 -2.908 -4.970 1.00 4.32 H new ATOM 0 HG23 THR A 79 -12.264 -2.113 -3.417 1.00 4.32 H new ATOM 1285 N LEU A 80 -11.848 0.382 -4.408 1.00 33.42 N ATOM 1286 CA LEU A 80 -10.855 1.222 -3.744 1.00 41.03 C ATOM 1287 C LEU A 80 -11.056 2.684 -4.130 1.00 5.25 C ATOM 1288 O LEU A 80 -10.911 3.581 -3.301 1.00 61.15 O ATOM 1289 CB LEU A 80 -9.437 0.774 -4.106 1.00 42.23 C ATOM 1290 CG LEU A 80 -8.307 1.629 -3.519 1.00 40.13 C ATOM 1291 CD1 LEU A 80 -8.376 1.642 -1.996 1.00 21.31 C ATOM 1292 CD2 LEU A 80 -6.950 1.126 -4.001 1.00 51.52 C ATOM 0 H LEU A 80 -11.479 -0.177 -5.177 1.00 33.42 H new ATOM 0 HA LEU A 80 -10.986 1.119 -2.667 1.00 41.03 H new ATOM 0 HB2 LEU A 80 -9.303 -0.255 -3.771 1.00 42.23 H new ATOM 0 HB3 LEU A 80 -9.341 0.771 -5.192 1.00 42.23 H new ATOM 0 HG LEU A 80 -8.432 2.654 -3.869 1.00 40.13 H new ATOM 0 HD11 LEU A 80 -7.566 2.254 -1.600 1.00 21.31 H new ATOM 0 HD12 LEU A 80 -9.333 2.057 -1.679 1.00 21.31 H new ATOM 0 HD13 LEU A 80 -8.279 0.624 -1.619 1.00 21.31 H new ATOM 0 HD21 LEU A 80 -6.160 1.745 -3.575 1.00 51.52 H new ATOM 0 HD22 LEU A 80 -6.812 0.092 -3.685 1.00 51.52 H new ATOM 0 HD23 LEU A 80 -6.907 1.181 -5.089 1.00 51.52 H new ATOM 1304 N ASP A 81 -11.402 2.909 -5.392 1.00 4.10 N ATOM 1305 CA ASP A 81 -11.683 4.254 -5.895 1.00 21.21 C ATOM 1306 C ASP A 81 -12.792 4.901 -5.065 1.00 32.25 C ATOM 1307 O ASP A 81 -12.735 6.089 -4.741 1.00 25.10 O ATOM 1308 CB ASP A 81 -12.077 4.188 -7.379 1.00 20.21 C ATOM 1309 CG ASP A 81 -12.503 5.534 -7.950 1.00 11.21 C ATOM 1310 OD1 ASP A 81 -11.662 6.456 -8.021 1.00 60.50 O ATOM 1311 OD2 ASP A 81 -13.675 5.664 -8.364 1.00 53.22 O ATOM 0 H ASP A 81 -11.496 2.173 -6.092 1.00 4.10 H new ATOM 0 HA ASP A 81 -10.786 4.866 -5.805 1.00 21.21 H new ATOM 0 HB2 ASP A 81 -11.234 3.807 -7.955 1.00 20.21 H new ATOM 0 HB3 ASP A 81 -12.893 3.475 -7.500 1.00 20.21 H new ATOM 1316 N GLU A 82 -13.784 4.093 -4.703 1.00 12.52 N ATOM 1317 CA GLU A 82 -14.888 4.543 -3.857 1.00 11.43 C ATOM 1318 C GLU A 82 -14.424 4.667 -2.403 1.00 2.51 C ATOM 1319 O GLU A 82 -14.815 5.587 -1.682 1.00 65.20 O ATOM 1320 CB GLU A 82 -16.053 3.549 -3.953 1.00 5.33 C ATOM 1321 CG GLU A 82 -16.520 3.283 -5.380 1.00 11.41 C ATOM 1322 CD GLU A 82 -17.658 2.274 -5.447 1.00 43.22 C ATOM 1323 OE1 GLU A 82 -18.804 2.650 -5.118 1.00 52.34 O ATOM 1324 OE2 GLU A 82 -17.411 1.109 -5.826 1.00 5.01 O ATOM 0 H GLU A 82 -13.847 3.115 -4.985 1.00 12.52 H new ATOM 0 HA GLU A 82 -15.222 5.521 -4.202 1.00 11.43 H new ATOM 0 HB2 GLU A 82 -15.752 2.606 -3.498 1.00 5.33 H new ATOM 0 HB3 GLU A 82 -16.892 3.930 -3.371 1.00 5.33 H new ATOM 0 HG2 GLU A 82 -16.844 4.220 -5.833 1.00 11.41 H new ATOM 0 HG3 GLU A 82 -15.680 2.917 -5.971 1.00 11.41 H new ATOM 1331 N TYR A 83 -13.580 3.725 -1.994 1.00 23.11 N ATOM 1332 CA TYR A 83 -13.050 3.665 -0.632 1.00 52.32 C ATOM 1333 C TYR A 83 -12.326 4.965 -0.271 1.00 5.01 C ATOM 1334 O TYR A 83 -12.651 5.618 0.722 1.00 25.11 O ATOM 1335 CB TYR A 83 -12.094 2.470 -0.529 1.00 54.20 C ATOM 1336 CG TYR A 83 -11.580 2.169 0.868 1.00 52.13 C ATOM 1337 CD1 TYR A 83 -12.328 1.399 1.751 1.00 62.24 C ATOM 1338 CD2 TYR A 83 -10.334 2.626 1.290 1.00 31.10 C ATOM 1339 CE1 TYR A 83 -11.852 1.093 3.009 1.00 11.34 C ATOM 1340 CE2 TYR A 83 -9.854 2.327 2.553 1.00 21.33 C ATOM 1341 CZ TYR A 83 -10.618 1.557 3.405 1.00 42.11 C ATOM 1342 OH TYR A 83 -10.142 1.240 4.656 1.00 31.13 O ATOM 0 H TYR A 83 -13.242 2.977 -2.599 1.00 23.11 H new ATOM 0 HA TYR A 83 -13.873 3.541 0.072 1.00 52.32 H new ATOM 0 HB2 TYR A 83 -12.603 1.585 -0.910 1.00 54.20 H new ATOM 0 HB3 TYR A 83 -11.240 2.652 -1.181 1.00 54.20 H new ATOM 0 HD1 TYR A 83 -13.298 1.034 1.447 1.00 62.24 H new ATOM 0 HD2 TYR A 83 -9.733 3.223 0.621 1.00 31.10 H new ATOM 0 HE1 TYR A 83 -12.446 0.491 3.681 1.00 11.34 H new ATOM 0 HE2 TYR A 83 -8.889 2.694 2.869 1.00 21.33 H new ATOM 0 HH TYR A 83 -9.692 2.020 5.042 1.00 31.13 H new ATOM 1352 N ILE A 84 -11.352 5.338 -1.097 1.00 4.13 N ATOM 1353 CA ILE A 84 -10.561 6.548 -0.876 1.00 13.14 C ATOM 1354 C ILE A 84 -11.461 7.783 -0.890 1.00 44.21 C ATOM 1355 O ILE A 84 -11.276 8.707 -0.101 1.00 14.31 O ATOM 1356 CB ILE A 84 -9.449 6.698 -1.950 1.00 50.42 C ATOM 1357 CG1 ILE A 84 -8.504 5.480 -1.923 1.00 42.23 C ATOM 1358 CG2 ILE A 84 -8.663 7.995 -1.746 1.00 73.31 C ATOM 1359 CD1 ILE A 84 -7.789 5.281 -0.599 1.00 20.40 C ATOM 0 H ILE A 84 -11.089 4.815 -1.933 1.00 4.13 H new ATOM 0 HA ILE A 84 -10.086 6.459 0.101 1.00 13.14 H new ATOM 0 HB ILE A 84 -9.926 6.743 -2.929 1.00 50.42 H new ATOM 0 HG12 ILE A 84 -9.079 4.583 -2.152 1.00 42.23 H new ATOM 0 HG13 ILE A 84 -7.761 5.593 -2.712 1.00 42.23 H new ATOM 0 HG21 ILE A 84 -7.890 8.076 -2.511 1.00 73.31 H new ATOM 0 HG22 ILE A 84 -9.340 8.846 -1.822 1.00 73.31 H new ATOM 0 HG23 ILE A 84 -8.198 7.988 -0.760 1.00 73.31 H new ATOM 0 HD11 ILE A 84 -7.144 4.405 -0.662 1.00 20.40 H new ATOM 0 HD12 ILE A 84 -7.185 6.161 -0.376 1.00 20.40 H new ATOM 0 HD13 ILE A 84 -8.524 5.135 0.193 1.00 20.40 H new ATOM 1371 N TYR A 85 -12.458 7.762 -1.772 1.00 70.41 N ATOM 1372 CA TYR A 85 -13.399 8.871 -1.919 1.00 74.42 C ATOM 1373 C TYR A 85 -14.095 9.166 -0.584 1.00 3.44 C ATOM 1374 O TYR A 85 -14.504 10.300 -0.313 1.00 0.34 O ATOM 1375 CB TYR A 85 -14.431 8.520 -3.004 1.00 0.31 C ATOM 1376 CG TYR A 85 -15.283 9.686 -3.477 1.00 52.31 C ATOM 1377 CD1 TYR A 85 -14.810 10.567 -4.443 1.00 72.31 C ATOM 1378 CD2 TYR A 85 -16.565 9.894 -2.977 1.00 61.51 C ATOM 1379 CE1 TYR A 85 -15.584 11.620 -4.893 1.00 53.02 C ATOM 1380 CE2 TYR A 85 -17.346 10.941 -3.425 1.00 21.51 C ATOM 1381 CZ TYR A 85 -16.851 11.801 -4.383 1.00 24.21 C ATOM 1382 OH TYR A 85 -17.629 12.843 -4.835 1.00 1.44 O ATOM 0 H TYR A 85 -12.636 6.980 -2.402 1.00 70.41 H new ATOM 0 HA TYR A 85 -12.856 9.768 -2.218 1.00 74.42 H new ATOM 0 HB2 TYR A 85 -13.906 8.101 -3.862 1.00 0.31 H new ATOM 0 HB3 TYR A 85 -15.089 7.740 -2.621 1.00 0.31 H new ATOM 0 HD1 TYR A 85 -13.819 10.426 -4.849 1.00 72.31 H new ATOM 0 HD2 TYR A 85 -16.956 9.225 -2.225 1.00 61.51 H new ATOM 0 HE1 TYR A 85 -15.198 12.297 -5.640 1.00 53.02 H new ATOM 0 HE2 TYR A 85 -18.340 11.086 -3.027 1.00 21.51 H new ATOM 0 HH TYR A 85 -18.494 12.829 -4.375 1.00 1.44 H new ATOM 1392 N GLU A 86 -14.232 8.130 0.244 1.00 4.43 N ATOM 1393 CA GLU A 86 -14.822 8.268 1.573 1.00 34.53 C ATOM 1394 C GLU A 86 -13.781 8.768 2.580 1.00 31.01 C ATOM 1395 O GLU A 86 -14.007 9.753 3.289 1.00 24.43 O ATOM 1396 CB GLU A 86 -15.405 6.925 2.039 1.00 13.01 C ATOM 1397 CG GLU A 86 -16.422 6.331 1.072 1.00 44.55 C ATOM 1398 CD GLU A 86 -17.085 5.070 1.602 1.00 34.44 C ATOM 1399 OE1 GLU A 86 -17.876 5.165 2.564 1.00 32.23 O ATOM 1400 OE2 GLU A 86 -16.837 3.980 1.048 1.00 72.25 O ATOM 0 H GLU A 86 -13.940 7.180 0.014 1.00 4.43 H new ATOM 0 HA GLU A 86 -15.626 9.002 1.515 1.00 34.53 H new ATOM 0 HB2 GLU A 86 -14.591 6.214 2.178 1.00 13.01 H new ATOM 0 HB3 GLU A 86 -15.878 7.062 3.011 1.00 13.01 H new ATOM 0 HG2 GLU A 86 -17.189 7.075 0.859 1.00 44.55 H new ATOM 0 HG3 GLU A 86 -15.927 6.104 0.128 1.00 44.55 H new ATOM 1407 N TYR A 87 -12.638 8.086 2.625 1.00 52.01 N ATOM 1408 CA TYR A 87 -11.598 8.373 3.616 1.00 12.21 C ATOM 1409 C TYR A 87 -10.754 9.582 3.205 1.00 65.31 C ATOM 1410 O TYR A 87 -11.033 10.711 3.622 1.00 30.42 O ATOM 1411 CB TYR A 87 -10.708 7.139 3.833 1.00 0.11 C ATOM 1412 CG TYR A 87 -11.431 5.971 4.480 1.00 74.52 C ATOM 1413 CD1 TYR A 87 -12.380 5.238 3.775 1.00 61.04 C ATOM 1414 CD2 TYR A 87 -11.171 5.607 5.797 1.00 31.45 C ATOM 1415 CE1 TYR A 87 -13.045 4.179 4.361 1.00 14.41 C ATOM 1416 CE2 TYR A 87 -11.832 4.548 6.388 1.00 51.31 C ATOM 1417 CZ TYR A 87 -12.767 3.838 5.666 1.00 34.15 C ATOM 1418 OH TYR A 87 -13.426 2.781 6.252 1.00 1.11 O ATOM 0 H TYR A 87 -12.406 7.327 1.984 1.00 52.01 H new ATOM 0 HA TYR A 87 -12.090 8.618 4.557 1.00 12.21 H new ATOM 0 HB2 TYR A 87 -10.306 6.819 2.872 1.00 0.11 H new ATOM 0 HB3 TYR A 87 -9.859 7.419 4.456 1.00 0.11 H new ATOM 0 HD1 TYR A 87 -12.601 5.502 2.751 1.00 61.04 H new ATOM 0 HD2 TYR A 87 -10.440 6.162 6.367 1.00 31.45 H new ATOM 0 HE1 TYR A 87 -13.779 3.621 3.799 1.00 14.41 H new ATOM 0 HE2 TYR A 87 -11.617 4.278 7.411 1.00 51.31 H new ATOM 0 HH TYR A 87 -13.114 2.672 7.174 1.00 1.11 H new ATOM 1428 N CYS A 88 -9.736 9.350 2.379 1.00 13.54 N ATOM 1429 CA CYS A 88 -8.837 10.416 1.950 1.00 43.23 C ATOM 1430 C CYS A 88 -9.518 11.292 0.896 1.00 11.40 C ATOM 1431 O CYS A 88 -9.568 10.938 -0.284 1.00 44.11 O ATOM 1432 CB CYS A 88 -7.522 9.830 1.402 1.00 41.21 C ATOM 1433 SG CYS A 88 -6.222 11.067 1.033 1.00 14.50 S ATOM 0 H CYS A 88 -9.514 8.432 1.994 1.00 13.54 H new ATOM 0 HA CYS A 88 -8.598 11.036 2.814 1.00 43.23 H new ATOM 0 HB2 CYS A 88 -7.129 9.117 2.126 1.00 41.21 H new ATOM 0 HB3 CYS A 88 -7.741 9.272 0.492 1.00 41.21 H new ATOM 1438 N ASN A 89 -10.076 12.420 1.343 1.00 10.43 N ATOM 1439 CA ASN A 89 -10.670 13.408 0.440 1.00 35.11 C ATOM 1440 C ASN A 89 -9.696 13.736 -0.689 1.00 54.53 C ATOM 1441 O ASN A 89 -8.590 14.214 -0.431 1.00 25.11 O ATOM 1442 CB ASN A 89 -11.032 14.688 1.212 1.00 45.43 C ATOM 1443 CG ASN A 89 -11.501 15.820 0.308 1.00 4.02 C ATOM 1444 OD1 ASN A 89 -12.075 15.593 -0.759 1.00 63.22 O ATOM 1445 ND2 ASN A 89 -11.278 17.051 0.740 1.00 34.52 N ATOM 0 H ASN A 89 -10.129 12.672 2.330 1.00 10.43 H new ATOM 0 HA ASN A 89 -11.581 12.988 0.013 1.00 35.11 H new ATOM 0 HB2 ASN A 89 -11.816 14.460 1.934 1.00 45.43 H new ATOM 0 HB3 ASN A 89 -10.163 15.021 1.779 1.00 45.43 H new ATOM 0 HD21 ASN A 89 -11.584 17.850 0.185 1.00 34.52 H new ATOM 0 HD22 ASN A 89 -10.800 17.201 1.628 1.00 34.52 H new ATOM 1452 N PHE A 90 -10.120 13.474 -1.927 1.00 2.44 N ATOM 1453 CA PHE A 90 -9.268 13.636 -3.104 1.00 0.12 C ATOM 1454 C PHE A 90 -8.502 14.959 -3.041 1.00 12.32 C ATOM 1455 O PHE A 90 -9.036 16.025 -3.356 1.00 52.13 O ATOM 1456 CB PHE A 90 -10.110 13.556 -4.386 1.00 34.23 C ATOM 1457 CG PHE A 90 -9.287 13.430 -5.645 1.00 54.05 C ATOM 1458 CD1 PHE A 90 -8.813 12.192 -6.056 1.00 73.43 C ATOM 1459 CD2 PHE A 90 -8.980 14.548 -6.411 1.00 41.22 C ATOM 1460 CE1 PHE A 90 -8.054 12.070 -7.204 1.00 12.01 C ATOM 1461 CE2 PHE A 90 -8.219 14.431 -7.557 1.00 54.13 C ATOM 1462 CZ PHE A 90 -7.756 13.191 -7.954 1.00 3.43 C ATOM 0 H PHE A 90 -11.061 13.144 -2.140 1.00 2.44 H new ATOM 0 HA PHE A 90 -8.540 12.825 -3.117 1.00 0.12 H new ATOM 0 HB2 PHE A 90 -10.783 12.702 -4.315 1.00 34.23 H new ATOM 0 HB3 PHE A 90 -10.733 14.448 -4.457 1.00 34.23 H new ATOM 0 HD1 PHE A 90 -9.040 11.313 -5.471 1.00 73.43 H new ATOM 0 HD2 PHE A 90 -9.341 15.519 -6.106 1.00 41.22 H new ATOM 0 HE1 PHE A 90 -7.694 11.100 -7.514 1.00 12.01 H new ATOM 0 HE2 PHE A 90 -7.986 15.308 -8.143 1.00 54.13 H new ATOM 0 HZ PHE A 90 -7.161 13.098 -8.851 1.00 3.43 H new ATOM 1472 N GLY A 91 -7.254 14.869 -2.602 1.00 3.31 N ATOM 1473 CA GLY A 91 -6.439 16.045 -2.370 1.00 61.13 C ATOM 1474 C GLY A 91 -5.445 15.805 -1.255 1.00 64.32 C ATOM 1475 O GLY A 91 -4.427 16.492 -1.158 1.00 71.21 O ATOM 0 H GLY A 91 -6.785 13.986 -2.399 1.00 3.31 H new ATOM 0 HA2 GLY A 91 -5.908 16.310 -3.284 1.00 61.13 H new ATOM 0 HA3 GLY A 91 -7.078 16.891 -2.116 1.00 61.13 H new ATOM 1479 N CYS A 92 -5.760 14.831 -0.400 1.00 10.33 N ATOM 1480 CA CYS A 92 -4.860 14.405 0.668 1.00 15.44 C ATOM 1481 C CYS A 92 -3.918 13.304 0.168 1.00 42.04 C ATOM 1482 O CYS A 92 -3.828 13.058 -1.038 1.00 44.24 O ATOM 1483 CB CYS A 92 -5.669 13.939 1.890 1.00 65.30 C ATOM 1484 SG CYS A 92 -7.075 12.848 1.501 1.00 60.30 S ATOM 0 H CYS A 92 -6.642 14.319 -0.429 1.00 10.33 H new ATOM 0 HA CYS A 92 -4.247 15.253 0.974 1.00 15.44 H new ATOM 0 HB2 CYS A 92 -5.000 13.417 2.574 1.00 65.30 H new ATOM 0 HB3 CYS A 92 -6.043 14.817 2.417 1.00 65.30 H new ATOM 1489 N ALA A 93 -3.215 12.648 1.092 1.00 42.41 N ATOM 1490 CA ALA A 93 -2.154 11.708 0.736 1.00 70.52 C ATOM 1491 C ALA A 93 -2.580 10.249 0.924 1.00 40.11 C ATOM 1492 O ALA A 93 -3.151 9.877 1.957 1.00 32.35 O ATOM 1493 CB ALA A 93 -0.908 12.011 1.564 1.00 30.13 C ATOM 0 H ALA A 93 -3.363 12.752 2.096 1.00 42.41 H new ATOM 0 HA ALA A 93 -1.935 11.837 -0.324 1.00 70.52 H new ATOM 0 HB1 ALA A 93 -0.116 11.310 1.299 1.00 30.13 H new ATOM 0 HB2 ALA A 93 -0.575 13.029 1.361 1.00 30.13 H new ATOM 0 HB3 ALA A 93 -1.142 11.910 2.624 1.00 30.13 H new ATOM 1499 N TYR A 94 -2.282 9.429 -0.086 1.00 0.21 N ATOM 1500 CA TYR A 94 -2.493 7.984 -0.019 1.00 73.21 C ATOM 1501 C TYR A 94 -1.622 7.300 -1.077 1.00 44.32 C ATOM 1502 O TYR A 94 -1.085 7.969 -1.966 1.00 23.12 O ATOM 1503 CB TYR A 94 -3.979 7.620 -0.222 1.00 75.01 C ATOM 1504 CG TYR A 94 -4.433 7.569 -1.676 1.00 12.10 C ATOM 1505 CD1 TYR A 94 -4.747 8.729 -2.374 1.00 63.11 C ATOM 1506 CD2 TYR A 94 -4.546 6.350 -2.346 1.00 73.10 C ATOM 1507 CE1 TYR A 94 -5.163 8.677 -3.694 1.00 34.50 C ATOM 1508 CE2 TYR A 94 -4.959 6.293 -3.663 1.00 43.40 C ATOM 1509 CZ TYR A 94 -5.266 7.457 -4.332 1.00 22.11 C ATOM 1510 OH TYR A 94 -5.678 7.398 -5.647 1.00 41.51 O ATOM 0 H TYR A 94 -1.888 9.749 -0.971 1.00 0.21 H new ATOM 0 HA TYR A 94 -2.207 7.634 0.973 1.00 73.21 H new ATOM 0 HB2 TYR A 94 -4.166 6.649 0.236 1.00 75.01 H new ATOM 0 HB3 TYR A 94 -4.592 8.347 0.310 1.00 75.01 H new ATOM 0 HD1 TYR A 94 -4.665 9.686 -1.880 1.00 63.11 H new ATOM 0 HD2 TYR A 94 -4.306 5.435 -1.825 1.00 73.10 H new ATOM 0 HE1 TYR A 94 -5.406 9.587 -4.222 1.00 34.50 H new ATOM 0 HE2 TYR A 94 -5.041 5.340 -4.165 1.00 43.40 H new ATOM 0 HH TYR A 94 -5.695 6.464 -5.943 1.00 41.51 H new ATOM 1520 N PHE A 95 -1.486 5.980 -0.983 1.00 52.34 N ATOM 1521 CA PHE A 95 -0.700 5.211 -1.951 1.00 70.25 C ATOM 1522 C PHE A 95 -1.127 3.746 -1.955 1.00 5.11 C ATOM 1523 O PHE A 95 -1.734 3.264 -0.996 1.00 53.41 O ATOM 1524 CB PHE A 95 0.804 5.320 -1.650 1.00 32.24 C ATOM 1525 CG PHE A 95 1.216 4.748 -0.315 1.00 12.03 C ATOM 1526 CD1 PHE A 95 1.226 5.540 0.823 1.00 34.44 C ATOM 1527 CD2 PHE A 95 1.604 3.419 -0.200 1.00 64.31 C ATOM 1528 CE1 PHE A 95 1.611 5.023 2.042 1.00 11.21 C ATOM 1529 CE2 PHE A 95 1.992 2.896 1.020 1.00 42.52 C ATOM 1530 CZ PHE A 95 1.995 3.701 2.142 1.00 30.12 C ATOM 0 H PHE A 95 -1.910 5.417 -0.246 1.00 52.34 H new ATOM 0 HA PHE A 95 -0.887 5.632 -2.939 1.00 70.25 H new ATOM 0 HB2 PHE A 95 1.358 4.808 -2.437 1.00 32.24 H new ATOM 0 HB3 PHE A 95 1.094 6.370 -1.687 1.00 32.24 H new ATOM 0 HD1 PHE A 95 0.928 6.576 0.754 1.00 34.44 H new ATOM 0 HD2 PHE A 95 1.603 2.786 -1.075 1.00 64.31 H new ATOM 0 HE1 PHE A 95 1.612 5.653 2.919 1.00 11.21 H new ATOM 0 HE2 PHE A 95 2.292 1.861 1.095 1.00 42.52 H new ATOM 0 HZ PHE A 95 2.297 3.297 3.097 1.00 30.12 H new ATOM 1540 N VAL A 96 -0.801 3.037 -3.037 1.00 31.20 N ATOM 1541 CA VAL A 96 -1.158 1.625 -3.187 1.00 63.15 C ATOM 1542 C VAL A 96 -0.001 0.852 -3.826 1.00 32.42 C ATOM 1543 O VAL A 96 0.463 1.206 -4.918 1.00 41.31 O ATOM 1544 CB VAL A 96 -2.426 1.441 -4.065 1.00 43.43 C ATOM 1545 CG1 VAL A 96 -2.848 -0.028 -4.114 1.00 60.21 C ATOM 1546 CG2 VAL A 96 -3.575 2.320 -3.568 1.00 44.54 C ATOM 0 H VAL A 96 -0.286 3.422 -3.829 1.00 31.20 H new ATOM 0 HA VAL A 96 -1.366 1.238 -2.189 1.00 63.15 H new ATOM 0 HB VAL A 96 -2.177 1.757 -5.078 1.00 43.43 H new ATOM 0 HG11 VAL A 96 -3.738 -0.130 -4.735 1.00 60.21 H new ATOM 0 HG12 VAL A 96 -2.040 -0.625 -4.537 1.00 60.21 H new ATOM 0 HG13 VAL A 96 -3.067 -0.377 -3.105 1.00 60.21 H new ATOM 0 HG21 VAL A 96 -4.449 2.170 -4.202 1.00 44.54 H new ATOM 0 HG22 VAL A 96 -3.821 2.050 -2.541 1.00 44.54 H new ATOM 0 HG23 VAL A 96 -3.275 3.367 -3.606 1.00 44.54 H new ATOM 1556 N LEU A 97 0.469 -0.188 -3.137 1.00 33.53 N ATOM 1557 CA LEU A 97 1.532 -1.054 -3.651 1.00 72.43 C ATOM 1558 C LEU A 97 0.972 -2.415 -4.063 1.00 3.42 C ATOM 1559 O LEU A 97 0.099 -2.972 -3.392 1.00 5.02 O ATOM 1560 CB LEU A 97 2.653 -1.243 -2.611 1.00 63.30 C ATOM 1561 CG LEU A 97 3.802 -0.217 -2.676 1.00 0.04 C ATOM 1562 CD1 LEU A 97 3.305 1.197 -2.408 1.00 63.15 C ATOM 1563 CD2 LEU A 97 4.911 -0.590 -1.693 1.00 24.33 C ATOM 0 H LEU A 97 0.127 -0.453 -2.213 1.00 33.53 H new ATOM 0 HA LEU A 97 1.955 -0.565 -4.528 1.00 72.43 H new ATOM 0 HB2 LEU A 97 2.211 -1.204 -1.615 1.00 63.30 H new ATOM 0 HB3 LEU A 97 3.074 -2.241 -2.734 1.00 63.30 H new ATOM 0 HG LEU A 97 4.208 -0.239 -3.687 1.00 0.04 H new ATOM 0 HD11 LEU A 97 4.142 1.893 -2.462 1.00 63.15 H new ATOM 0 HD12 LEU A 97 2.559 1.468 -3.155 1.00 63.15 H new ATOM 0 HD13 LEU A 97 2.858 1.243 -1.415 1.00 63.15 H new ATOM 0 HD21 LEU A 97 5.713 0.146 -1.753 1.00 24.33 H new ATOM 0 HD22 LEU A 97 4.509 -0.606 -0.680 1.00 24.33 H new ATOM 0 HD23 LEU A 97 5.303 -1.576 -1.944 1.00 24.33 H new ATOM 1575 N LYS A 98 1.493 -2.932 -5.166 1.00 75.35 N ATOM 1576 CA LYS A 98 1.112 -4.237 -5.697 1.00 35.52 C ATOM 1577 C LYS A 98 2.280 -5.213 -5.550 1.00 51.21 C ATOM 1578 O LYS A 98 3.410 -4.891 -5.924 1.00 2.24 O ATOM 1579 CB LYS A 98 0.723 -4.089 -7.175 1.00 1.11 C ATOM 1580 CG LYS A 98 0.737 -5.396 -7.968 1.00 35.54 C ATOM 1581 CD LYS A 98 0.654 -5.132 -9.468 1.00 22.53 C ATOM 1582 CE LYS A 98 1.114 -6.333 -10.282 1.00 41.55 C ATOM 1583 NZ LYS A 98 1.268 -5.989 -11.719 1.00 75.25 N ATOM 0 H LYS A 98 2.200 -2.454 -5.725 1.00 75.35 H new ATOM 0 HA LYS A 98 0.259 -4.626 -5.141 1.00 35.52 H new ATOM 0 HB2 LYS A 98 -0.275 -3.654 -7.233 1.00 1.11 H new ATOM 0 HB3 LYS A 98 1.406 -3.384 -7.649 1.00 1.11 H new ATOM 0 HG2 LYS A 98 1.648 -5.951 -7.744 1.00 35.54 H new ATOM 0 HG3 LYS A 98 -0.101 -6.021 -7.659 1.00 35.54 H new ATOM 0 HD2 LYS A 98 -0.373 -4.883 -9.737 1.00 22.53 H new ATOM 0 HD3 LYS A 98 1.268 -4.267 -9.719 1.00 22.53 H new ATOM 0 HE2 LYS A 98 2.064 -6.698 -9.890 1.00 41.55 H new ATOM 0 HE3 LYS A 98 0.393 -7.144 -10.176 1.00 41.55 H new ATOM 0 HZ1 LYS A 98 1.885 -6.688 -12.179 1.00 75.25 H new ATOM 0 HZ2 LYS A 98 0.335 -5.994 -12.179 1.00 75.25 H new ATOM 0 HZ3 LYS A 98 1.691 -5.043 -11.806 1.00 75.25 H new ATOM 1597 N ARG A 99 2.007 -6.393 -5.000 1.00 54.22 N ATOM 1598 CA ARG A 99 3.039 -7.410 -4.813 1.00 13.14 C ATOM 1599 C ARG A 99 3.307 -8.147 -6.125 1.00 34.14 C ATOM 1600 O ARG A 99 2.401 -8.726 -6.726 1.00 35.35 O ATOM 1601 CB ARG A 99 2.620 -8.389 -3.698 1.00 32.34 C ATOM 1602 CG ARG A 99 3.650 -9.479 -3.370 1.00 71.33 C ATOM 1603 CD ARG A 99 3.447 -10.747 -4.197 1.00 62.24 C ATOM 1604 NE ARG A 99 2.122 -11.337 -3.972 1.00 64.45 N ATOM 1605 CZ ARG A 99 1.905 -12.482 -3.318 1.00 51.32 C ATOM 1606 NH1 ARG A 99 2.928 -13.204 -2.872 1.00 1.14 N ATOM 1607 NH2 ARG A 99 0.664 -12.909 -3.114 1.00 13.43 N ATOM 0 H ARG A 99 1.080 -6.669 -4.676 1.00 54.22 H new ATOM 0 HA ARG A 99 3.966 -6.924 -4.509 1.00 13.14 H new ATOM 0 HB2 ARG A 99 2.416 -7.818 -2.792 1.00 32.34 H new ATOM 0 HB3 ARG A 99 1.686 -8.869 -3.989 1.00 32.34 H new ATOM 0 HG2 ARG A 99 4.653 -9.091 -3.547 1.00 71.33 H new ATOM 0 HG3 ARG A 99 3.586 -9.727 -2.310 1.00 71.33 H new ATOM 0 HD2 ARG A 99 3.566 -10.514 -5.255 1.00 62.24 H new ATOM 0 HD3 ARG A 99 4.217 -11.475 -3.942 1.00 62.24 H new ATOM 0 HE ARG A 99 1.311 -10.839 -4.340 1.00 64.45 H new ATOM 0 HH11 ARG A 99 3.884 -12.885 -3.028 1.00 1.14 H new ATOM 0 HH12 ARG A 99 2.757 -14.077 -2.373 1.00 1.14 H new ATOM 0 HH21 ARG A 99 -0.126 -12.363 -3.457 1.00 13.43 H new ATOM 0 HH22 ARG A 99 0.501 -13.783 -2.615 1.00 13.43 H new ATOM 1621 N ILE A 100 4.558 -8.107 -6.565 1.00 2.21 N ATOM 1622 CA ILE A 100 4.980 -8.782 -7.785 1.00 42.13 C ATOM 1623 C ILE A 100 5.322 -10.241 -7.484 1.00 15.01 C ATOM 1624 O ILE A 100 5.851 -10.557 -6.418 1.00 74.22 O ATOM 1625 CB ILE A 100 6.210 -8.080 -8.417 1.00 21.10 C ATOM 1626 CG1 ILE A 100 5.942 -6.575 -8.578 1.00 1.44 C ATOM 1627 CG2 ILE A 100 6.567 -8.717 -9.762 1.00 1.22 C ATOM 1628 CD1 ILE A 100 4.738 -6.255 -9.439 1.00 71.42 C ATOM 0 H ILE A 100 5.307 -7.607 -6.087 1.00 2.21 H new ATOM 0 HA ILE A 100 4.155 -8.738 -8.496 1.00 42.13 H new ATOM 0 HB ILE A 100 7.062 -8.208 -7.749 1.00 21.10 H new ATOM 0 HG12 ILE A 100 5.799 -6.134 -7.592 1.00 1.44 H new ATOM 0 HG13 ILE A 100 6.823 -6.103 -9.013 1.00 1.44 H new ATOM 0 HG21 ILE A 100 7.433 -8.209 -10.187 1.00 1.22 H new ATOM 0 HG22 ILE A 100 6.802 -9.771 -9.614 1.00 1.22 H new ATOM 0 HG23 ILE A 100 5.722 -8.625 -10.444 1.00 1.22 H new ATOM 0 HD11 ILE A 100 4.615 -5.174 -9.505 1.00 71.42 H new ATOM 0 HD12 ILE A 100 4.886 -6.665 -10.438 1.00 71.42 H new ATOM 0 HD13 ILE A 100 3.846 -6.696 -8.995 1.00 71.42 H new ATOM 1640 N ARG A 101 5.020 -11.124 -8.426 1.00 51.51 N ATOM 1641 CA ARG A 101 5.263 -12.554 -8.246 1.00 54.21 C ATOM 1642 C ARG A 101 6.664 -12.943 -8.744 1.00 0.34 C ATOM 1643 O ARG A 101 6.813 -13.787 -9.632 1.00 61.32 O ATOM 1644 CB ARG A 101 4.161 -13.406 -8.929 1.00 20.54 C ATOM 1645 CG ARG A 101 3.575 -12.819 -10.222 1.00 62.30 C ATOM 1646 CD ARG A 101 2.480 -11.785 -9.940 1.00 14.03 C ATOM 1647 NE ARG A 101 1.916 -11.223 -11.172 1.00 75.13 N ATOM 1648 CZ ARG A 101 0.830 -10.440 -11.222 1.00 32.00 C ATOM 1649 NH1 ARG A 101 0.150 -10.140 -10.119 1.00 74.11 N ATOM 1650 NH2 ARG A 101 0.413 -9.971 -12.387 1.00 50.05 N ATOM 0 H ARG A 101 4.606 -10.878 -9.325 1.00 51.51 H new ATOM 0 HA ARG A 101 5.221 -12.766 -7.178 1.00 54.21 H new ATOM 0 HB2 ARG A 101 4.573 -14.390 -9.152 1.00 20.54 H new ATOM 0 HB3 ARG A 101 3.349 -13.555 -8.218 1.00 20.54 H new ATOM 0 HG2 ARG A 101 4.372 -12.354 -10.802 1.00 62.30 H new ATOM 0 HG3 ARG A 101 3.165 -13.624 -10.832 1.00 62.30 H new ATOM 0 HD2 ARG A 101 1.685 -12.251 -9.358 1.00 14.03 H new ATOM 0 HD3 ARG A 101 2.891 -10.980 -9.331 1.00 14.03 H new ATOM 0 HE ARG A 101 2.383 -11.444 -12.052 1.00 75.13 H new ATOM 0 HH11 ARG A 101 0.453 -10.508 -9.217 1.00 74.11 H new ATOM 0 HH12 ARG A 101 -0.675 -9.542 -10.175 1.00 74.11 H new ATOM 0 HH21 ARG A 101 0.918 -10.206 -13.242 1.00 50.05 H new ATOM 0 HH22 ARG A 101 -0.413 -9.375 -12.430 1.00 50.05 H new ATOM 1664 N LYS A 102 7.683 -12.307 -8.159 1.00 54.34 N ATOM 1665 CA LYS A 102 9.087 -12.620 -8.443 1.00 64.01 C ATOM 1666 C LYS A 102 9.971 -12.257 -7.251 1.00 24.10 C ATOM 1667 O LYS A 102 9.644 -11.349 -6.482 1.00 3.14 O ATOM 1668 CB LYS A 102 9.602 -11.879 -9.690 1.00 13.14 C ATOM 1669 CG LYS A 102 9.575 -12.702 -10.978 1.00 73.03 C ATOM 1670 CD LYS A 102 10.505 -12.112 -12.039 1.00 22.11 C ATOM 1671 CE LYS A 102 10.569 -12.976 -13.290 1.00 43.11 C ATOM 1672 NZ LYS A 102 11.614 -12.502 -14.242 1.00 44.00 N ATOM 0 H LYS A 102 7.558 -11.561 -7.475 1.00 54.34 H new ATOM 0 HA LYS A 102 9.138 -13.692 -8.631 1.00 64.01 H new ATOM 0 HB2 LYS A 102 9.002 -10.981 -9.836 1.00 13.14 H new ATOM 0 HB3 LYS A 102 10.625 -11.552 -9.505 1.00 13.14 H new ATOM 0 HG2 LYS A 102 9.872 -13.728 -10.762 1.00 73.03 H new ATOM 0 HG3 LYS A 102 8.557 -12.740 -11.365 1.00 73.03 H new ATOM 0 HD2 LYS A 102 10.161 -11.113 -12.306 1.00 22.11 H new ATOM 0 HD3 LYS A 102 11.506 -12.004 -11.622 1.00 22.11 H new ATOM 0 HE2 LYS A 102 10.777 -14.008 -13.008 1.00 43.11 H new ATOM 0 HE3 LYS A 102 9.598 -12.970 -13.785 1.00 43.11 H new ATOM 0 HZ1 LYS A 102 11.625 -13.117 -15.080 1.00 44.00 H new ATOM 0 HZ2 LYS A 102 11.403 -11.526 -14.532 1.00 44.00 H new ATOM 0 HZ3 LYS A 102 12.545 -12.532 -13.779 1.00 44.00 H new ATOM 1686 N LEU A 103 11.078 -12.985 -7.122 1.00 24.44 N ATOM 1687 CA LEU A 103 12.102 -12.738 -6.106 1.00 73.25 C ATOM 1688 C LEU A 103 13.145 -13.853 -6.216 1.00 53.10 C ATOM 1689 O LEU A 103 12.789 -14.998 -6.513 1.00 71.51 O ATOM 1690 CB LEU A 103 11.479 -12.712 -4.690 1.00 12.22 C ATOM 1691 CG LEU A 103 12.269 -11.955 -3.598 1.00 54.23 C ATOM 1692 CD1 LEU A 103 13.539 -12.699 -3.186 1.00 25.25 C ATOM 1693 CD2 LEU A 103 12.599 -10.536 -4.061 1.00 3.11 C ATOM 0 H LEU A 103 11.293 -13.776 -7.729 1.00 24.44 H new ATOM 0 HA LEU A 103 12.567 -11.766 -6.271 1.00 73.25 H new ATOM 0 HB2 LEU A 103 10.487 -12.266 -4.763 1.00 12.22 H new ATOM 0 HB3 LEU A 103 11.343 -13.742 -4.359 1.00 12.22 H new ATOM 0 HG LEU A 103 11.631 -11.898 -2.716 1.00 54.23 H new ATOM 0 HD11 LEU A 103 14.061 -12.130 -2.417 1.00 25.25 H new ATOM 0 HD12 LEU A 103 13.274 -13.681 -2.794 1.00 25.25 H new ATOM 0 HD13 LEU A 103 14.189 -12.818 -4.053 1.00 25.25 H new ATOM 0 HD21 LEU A 103 13.155 -10.018 -3.279 1.00 3.11 H new ATOM 0 HD22 LEU A 103 13.203 -10.580 -4.967 1.00 3.11 H new ATOM 0 HD23 LEU A 103 11.675 -9.996 -4.267 1.00 3.11 H new ATOM 1705 N GLU A 104 14.419 -13.528 -6.004 1.00 52.43 N ATOM 1706 CA GLU A 104 15.488 -14.528 -6.071 1.00 43.14 C ATOM 1707 C GLU A 104 15.233 -15.672 -5.090 1.00 51.34 C ATOM 1708 O GLU A 104 15.109 -15.451 -3.882 1.00 72.15 O ATOM 1709 CB GLU A 104 16.869 -13.920 -5.765 1.00 20.43 C ATOM 1710 CG GLU A 104 17.345 -12.868 -6.762 1.00 74.03 C ATOM 1711 CD GLU A 104 16.782 -11.487 -6.488 1.00 3.31 C ATOM 1712 OE1 GLU A 104 17.414 -10.731 -5.717 1.00 64.11 O ATOM 1713 OE2 GLU A 104 15.716 -11.145 -7.041 1.00 12.52 O ATOM 0 H GLU A 104 14.738 -12.584 -5.785 1.00 52.43 H new ATOM 0 HA GLU A 104 15.487 -14.907 -7.093 1.00 43.14 H new ATOM 0 HB2 GLU A 104 16.840 -13.471 -4.772 1.00 20.43 H new ATOM 0 HB3 GLU A 104 17.604 -14.724 -5.730 1.00 20.43 H new ATOM 0 HG2 GLU A 104 18.434 -12.821 -6.738 1.00 74.03 H new ATOM 0 HG3 GLU A 104 17.061 -13.176 -7.768 1.00 74.03 H new ATOM 1720 N HIS A 105 15.155 -16.893 -5.611 1.00 13.43 N ATOM 1721 CA HIS A 105 15.076 -18.076 -4.762 1.00 43.12 C ATOM 1722 C HIS A 105 16.406 -18.242 -4.036 1.00 73.23 C ATOM 1723 O HIS A 105 17.433 -18.503 -4.664 1.00 73.41 O ATOM 1724 CB HIS A 105 14.746 -19.332 -5.586 1.00 24.45 C ATOM 1725 CG HIS A 105 13.390 -19.302 -6.229 1.00 1.45 C ATOM 1726 ND1 HIS A 105 12.665 -18.270 -6.730 1.00 14.31 N flip ATOM 1727 CD2 HIS A 105 12.630 -20.434 -6.434 1.00 65.22 C flip ATOM 1728 CE1 HIS A 105 11.499 -18.794 -7.220 1.00 51.24 C flip ATOM 1729 NE2 HIS A 105 11.501 -20.098 -7.030 1.00 64.54 N flip ATOM 0 H HIS A 105 15.145 -17.088 -6.612 1.00 13.43 H new ATOM 0 HA HIS A 105 14.272 -17.947 -4.037 1.00 43.12 H new ATOM 0 HB2 HIS A 105 15.502 -19.454 -6.362 1.00 24.45 H new ATOM 0 HB3 HIS A 105 14.810 -20.206 -4.938 1.00 24.45 H new ATOM 0 HD1 HIS A 105 12.938 -17.287 -6.740 1.00 14.31 H new ATOM 0 HD2 HIS A 105 12.914 -21.437 -6.152 1.00 65.22 H new ATOM 0 HE1 HIS A 105 10.705 -18.230 -7.687 1.00 51.24 H new ATOM 1738 N HIS A 106 16.379 -18.078 -2.718 1.00 32.13 N ATOM 1739 CA HIS A 106 17.602 -18.004 -1.909 1.00 72.41 C ATOM 1740 C HIS A 106 18.470 -19.257 -2.046 1.00 75.21 C ATOM 1741 O HIS A 106 19.670 -19.224 -1.761 1.00 12.15 O ATOM 1742 CB HIS A 106 17.242 -17.754 -0.437 1.00 65.34 C ATOM 1743 CG HIS A 106 16.508 -16.463 -0.218 1.00 2.01 C ATOM 1744 ND1 HIS A 106 15.183 -16.401 0.156 1.00 75.15 N ATOM 1745 CD2 HIS A 106 16.919 -15.178 -0.337 1.00 55.52 C ATOM 1746 CE1 HIS A 106 14.815 -15.137 0.256 1.00 14.43 C ATOM 1747 NE2 HIS A 106 15.850 -14.374 -0.037 1.00 2.14 N ATOM 0 H HIS A 106 15.518 -17.993 -2.178 1.00 32.13 H new ATOM 0 HA HIS A 106 18.193 -17.169 -2.285 1.00 72.41 H new ATOM 0 HB2 HIS A 106 16.629 -18.579 -0.075 1.00 65.34 H new ATOM 0 HB3 HIS A 106 18.155 -17.751 0.158 1.00 65.34 H new ATOM 0 HD2 HIS A 106 17.908 -14.847 -0.617 1.00 55.52 H new ATOM 0 HE1 HIS A 106 13.831 -14.787 0.532 1.00 14.43 H new ATOM 0 HE2 HIS A 106 15.854 -13.354 -0.040 1.00 2.14 H new ATOM 1756 N HIS A 107 17.877 -20.353 -2.505 1.00 23.13 N ATOM 1757 CA HIS A 107 18.608 -21.607 -2.671 1.00 34.22 C ATOM 1758 C HIS A 107 19.397 -21.596 -3.988 1.00 72.43 C ATOM 1759 O HIS A 107 19.280 -22.509 -4.806 1.00 21.10 O ATOM 1760 CB HIS A 107 17.638 -22.802 -2.625 1.00 11.54 C ATOM 1761 CG HIS A 107 18.298 -24.114 -2.296 1.00 23.20 C ATOM 1762 ND1 HIS A 107 19.592 -24.416 -2.022 1.00 73.22 N flip ATOM 1763 CD2 HIS A 107 17.604 -25.298 -2.189 1.00 71.43 C flip ATOM 1764 CE1 HIS A 107 19.652 -25.761 -1.753 1.00 54.20 C flip ATOM 1765 NE2 HIS A 107 18.438 -26.267 -1.863 1.00 21.12 N flip ATOM 0 H HIS A 107 16.893 -20.400 -2.769 1.00 23.13 H new ATOM 0 HA HIS A 107 19.317 -21.710 -1.849 1.00 34.22 H new ATOM 0 HB2 HIS A 107 16.864 -22.600 -1.884 1.00 11.54 H new ATOM 0 HB3 HIS A 107 17.140 -22.890 -3.590 1.00 11.54 H new ATOM 0 HD1 HIS A 107 20.376 -23.764 -2.017 1.00 73.22 H new ATOM 0 HD2 HIS A 107 16.542 -25.415 -2.347 1.00 71.43 H new ATOM 0 HE1 HIS A 107 20.544 -26.313 -1.495 1.00 54.20 H new ATOM 1774 N HIS A 108 20.188 -20.542 -4.189 1.00 14.41 N ATOM 1775 CA HIS A 108 21.084 -20.447 -5.345 1.00 13.20 C ATOM 1776 C HIS A 108 22.453 -21.022 -5.005 1.00 74.34 C ATOM 1777 O HIS A 108 23.376 -20.971 -5.821 1.00 72.44 O ATOM 1778 CB HIS A 108 21.255 -18.988 -5.797 1.00 41.35 C ATOM 1779 CG HIS A 108 20.073 -18.408 -6.511 1.00 31.45 C ATOM 1780 ND1 HIS A 108 19.328 -18.894 -7.531 1.00 61.41 N flip ATOM 1781 CD2 HIS A 108 19.565 -17.158 -6.232 1.00 22.42 C flip ATOM 1782 CE1 HIS A 108 18.395 -17.938 -7.845 1.00 24.11 C flip ATOM 1783 NE2 HIS A 108 18.560 -16.901 -7.049 1.00 15.21 N flip ATOM 0 H HIS A 108 20.227 -19.737 -3.563 1.00 14.41 H new ATOM 0 HA HIS A 108 20.634 -21.020 -6.156 1.00 13.20 H new ATOM 0 HB2 HIS A 108 21.470 -18.374 -4.922 1.00 41.35 H new ATOM 0 HB3 HIS A 108 22.124 -18.925 -6.452 1.00 41.35 H new ATOM 0 HD1 HIS A 108 19.439 -19.802 -7.982 1.00 61.41 H new ATOM 0 HD2 HIS A 108 19.932 -16.492 -5.465 1.00 22.42 H new ATOM 0 HE1 HIS A 108 17.647 -18.022 -8.619 1.00 24.11 H new ATOM 1792 N HIS A 109 22.581 -21.558 -3.796 1.00 14.10 N ATOM 1793 CA HIS A 109 23.859 -22.059 -3.305 1.00 64.33 C ATOM 1794 C HIS A 109 23.635 -23.089 -2.202 1.00 34.43 C ATOM 1795 O HIS A 109 22.525 -23.222 -1.683 1.00 42.12 O ATOM 1796 CB HIS A 109 24.717 -20.901 -2.773 1.00 35.01 C ATOM 1797 CG HIS A 109 24.164 -20.254 -1.536 1.00 62.03 C ATOM 1798 ND1 HIS A 109 24.852 -20.204 -0.342 1.00 22.12 N ATOM 1799 CD2 HIS A 109 22.988 -19.617 -1.312 1.00 53.54 C ATOM 1800 CE1 HIS A 109 24.125 -19.573 0.558 1.00 15.14 C ATOM 1801 NE2 HIS A 109 22.990 -19.206 -0.004 1.00 11.23 N ATOM 0 H HIS A 109 21.810 -21.657 -3.135 1.00 14.10 H new ATOM 0 HA HIS A 109 24.384 -22.536 -4.132 1.00 64.33 H new ATOM 0 HB2 HIS A 109 25.719 -21.272 -2.560 1.00 35.01 H new ATOM 0 HB3 HIS A 109 24.816 -20.146 -3.553 1.00 35.01 H new ATOM 0 HD2 HIS A 109 22.197 -19.462 -2.031 1.00 53.54 H new ATOM 0 HE1 HIS A 109 24.411 -19.388 1.583 1.00 15.14 H new ATOM 0 HE2 HIS A 109 22.236 -18.699 0.459 1.00 11.23 H new ATOM 1810 N HIS A 110 24.700 -23.793 -1.846 1.00 54.32 N ATOM 1811 CA HIS A 110 24.657 -24.822 -0.813 1.00 11.23 C ATOM 1812 C HIS A 110 26.068 -25.069 -0.281 1.00 43.32 C ATOM 1813 O HIS A 110 26.903 -25.609 -1.040 1.00 37.71 O ATOM 1814 CB HIS A 110 24.062 -26.124 -1.372 1.00 1.22 C ATOM 1815 CG HIS A 110 23.952 -27.237 -0.365 1.00 3.41 C ATOM 1816 ND1 HIS A 110 23.814 -28.563 -0.722 1.00 32.40 N ATOM 1817 CD2 HIS A 110 23.944 -27.217 0.991 1.00 62.14 C ATOM 1818 CE1 HIS A 110 23.728 -29.305 0.365 1.00 64.20 C ATOM 1819 NE2 HIS A 110 23.805 -28.513 1.418 1.00 74.13 N ATOM 1820 OXT HIS A 110 26.343 -24.712 0.879 1.00 37.71 O ATOM 0 H HIS A 110 25.621 -23.668 -2.266 1.00 54.32 H new ATOM 0 HA HIS A 110 24.020 -24.480 0.002 1.00 11.23 H new ATOM 0 HB2 HIS A 110 23.071 -25.914 -1.773 1.00 1.22 H new ATOM 0 HB3 HIS A 110 24.678 -26.463 -2.205 1.00 1.22 H new ATOM 0 HD2 HIS A 110 24.031 -26.342 1.619 1.00 62.14 H new ATOM 0 HE1 HIS A 110 23.614 -30.379 0.389 1.00 64.20 H new ATOM 0 HE2 HIS A 110 23.767 -28.816 2.391 1.00 74.13 H new TER 1829 HIS A 110