USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1075 hydrogens (27 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 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.29) USER MOD Set 2.1: A 29 TYR OH : rot 150:sc= 0.971 USER MOD Set 2.2: A 97 THR OG1 : rot 129:sc= 2.06 USER MOD Single : A 6 SER OG : rot 170:sc= -0.305 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0364 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 152:sc= -0.139 (180deg=-0.721) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.333 K(o=-0.33,f=-2.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.976 K(o=0.98,f=-5.1!) USER MOD Single : A 38 SER OG : rot -158:sc= -0.519 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.325 USER MOD Single : A 54 SER OG : rot 180:sc=-1.53e-05 USER MOD Single : A 57 CYS SG : rot 18:sc= -0.75 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 63 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.93) USER MOD Single : A 65 GLN : amide:sc=-0.00255 K(o=-0.0025,f=-0.89) USER MOD Single : A 67 SER OG : rot 180:sc= 0.00685 USER MOD Single : A 69 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.36) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00907 USER MOD Single : A 72 SER OG : rot 180:sc= 0.073 USER MOD Single : A 77 SER OG : rot 90:sc= 0.571 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0622 X(o=-0.062,f=-0.13) USER MOD Single : A 81 THR OG1 : rot 84:sc=0.000353 USER MOD Single : A 87 CYS SG : rot -30:sc= -1.83! USER MOD Single : A 89 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-0.12) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= -0.0234 (180deg=-0.217) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.7) USER MOD Single : A 109 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -48:sc= 0.524 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 117 GLN : amide:sc= -0.0324 X(o=-0.032,f=-0.0093) USER MOD Single : A 122 THR OG1 : rot 55:sc= 0.352 USER MOD Single : A 124 ASN : amide:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 125 ASN : amide:sc= -0.0866 X(o=-0.087,f=-0.57) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.0338 K(o=-0.034,f=-1.3) USER MOD Single : A 129 SER OG : rot 180:sc= 0.0502 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.6!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -4.228 13.985 0.710 1.00 64.03 N ATOM 2 CA GLY A 2 -3.498 15.150 1.176 1.00 72.53 C ATOM 3 C GLY A 2 -3.442 15.231 2.689 1.00 63.24 C ATOM 4 O GLY A 2 -2.383 15.476 3.265 1.00 1.33 O ATOM 0 HA2 GLY A 2 -2.483 15.122 0.779 1.00 72.53 H new ATOM 0 HA3 GLY A 2 -3.969 16.051 0.784 1.00 72.53 H new ATOM 8 N ALA A 3 -4.586 15.025 3.333 1.00 2.22 N ATOM 9 CA ALA A 3 -4.664 15.075 4.788 1.00 45.20 C ATOM 10 C ALA A 3 -5.163 13.753 5.357 1.00 11.04 C ATOM 11 O ALA A 3 -5.848 13.726 6.381 1.00 11.20 O ATOM 12 CB ALA A 3 -5.567 16.217 5.230 1.00 43.24 C ATOM 0 H ALA A 3 -5.472 14.822 2.870 1.00 2.22 H new ATOM 0 HA ALA A 3 -3.660 15.250 5.174 1.00 45.20 H new ATOM 0 HB1 ALA A 3 -5.616 16.242 6.319 1.00 43.24 H new ATOM 0 HB2 ALA A 3 -5.165 17.161 4.863 1.00 43.24 H new ATOM 0 HB3 ALA A 3 -6.568 16.067 4.825 1.00 43.24 H new ATOM 18 N ARG A 4 -4.818 12.657 4.689 1.00 73.01 N ATOM 19 CA ARG A 4 -5.234 11.331 5.129 1.00 41.24 C ATOM 20 C ARG A 4 -4.203 10.279 4.731 1.00 72.34 C ATOM 21 O ARG A 4 -4.524 9.310 4.042 1.00 43.35 O ATOM 22 CB ARG A 4 -6.597 10.976 4.531 1.00 43.45 C ATOM 23 CG ARG A 4 -7.357 9.928 5.327 1.00 41.41 C ATOM 24 CD ARG A 4 -7.966 8.872 4.417 1.00 23.12 C ATOM 25 NE ARG A 4 -8.179 7.607 5.115 1.00 61.20 N ATOM 26 CZ ARG A 4 -8.896 6.605 4.618 1.00 62.13 C ATOM 27 NH1 ARG A 4 -9.463 6.719 3.424 1.00 2.23 N ATOM 28 NH2 ARG A 4 -9.044 5.484 5.312 1.00 14.34 N ATOM 0 H ARG A 4 -4.251 12.661 3.841 1.00 73.01 H new ATOM 0 HA ARG A 4 -5.314 11.344 6.216 1.00 41.24 H new ATOM 0 HB2 ARG A 4 -7.202 11.880 4.466 1.00 43.45 H new ATOM 0 HB3 ARG A 4 -6.454 10.614 3.513 1.00 43.45 H new ATOM 0 HG2 ARG A 4 -6.684 9.452 6.040 1.00 41.41 H new ATOM 0 HG3 ARG A 4 -8.145 10.410 5.906 1.00 41.41 H new ATOM 0 HD2 ARG A 4 -8.916 9.235 4.026 1.00 23.12 H new ATOM 0 HD3 ARG A 4 -7.311 8.708 3.562 1.00 23.12 H new ATOM 0 HE ARG A 4 -7.754 7.486 6.034 1.00 61.20 H new ATOM 0 HH11 ARG A 4 -9.349 7.578 2.885 1.00 2.23 H new ATOM 0 HH12 ARG A 4 -10.013 5.948 3.045 1.00 2.23 H new ATOM 0 HH21 ARG A 4 -8.607 5.390 6.229 1.00 14.34 H new ATOM 0 HH22 ARG A 4 -9.595 4.716 4.929 1.00 14.34 H new ATOM 42 N ALA A 5 -2.964 10.475 5.171 1.00 55.11 N ATOM 43 CA ALA A 5 -1.887 9.543 4.862 1.00 11.42 C ATOM 44 C ALA A 5 -2.275 8.115 5.230 1.00 52.24 C ATOM 45 O ALA A 5 -3.044 7.892 6.165 1.00 74.24 O ATOM 46 CB ALA A 5 -0.613 9.950 5.588 1.00 70.31 C ATOM 0 H ALA A 5 -2.682 11.271 5.743 1.00 55.11 H new ATOM 0 HA ALA A 5 -1.707 9.577 3.788 1.00 11.42 H new ATOM 0 HB1 ALA A 5 0.183 9.245 5.348 1.00 70.31 H new ATOM 0 HB2 ALA A 5 -0.319 10.951 5.273 1.00 70.31 H new ATOM 0 HB3 ALA A 5 -0.790 9.945 6.664 1.00 70.31 H new ATOM 52 N SER A 6 -1.739 7.151 4.488 1.00 62.14 N ATOM 53 CA SER A 6 -2.033 5.744 4.733 1.00 53.21 C ATOM 54 C SER A 6 -3.529 5.472 4.610 1.00 32.32 C ATOM 55 O SER A 6 -4.299 5.741 5.532 1.00 2.40 O ATOM 56 CB SER A 6 -1.541 5.334 6.122 1.00 33.35 C ATOM 57 OG SER A 6 -0.263 5.882 6.394 1.00 35.12 O ATOM 0 H SER A 6 -1.099 7.319 3.712 1.00 62.14 H new ATOM 0 HA SER A 6 -1.511 5.152 3.981 1.00 53.21 H new ATOM 0 HB2 SER A 6 -2.252 5.670 6.877 1.00 33.35 H new ATOM 0 HB3 SER A 6 -1.495 4.247 6.189 1.00 33.35 H new ATOM 0 HG SER A 6 -0.042 5.743 7.338 1.00 35.12 H new ATOM 63 N VAL A 7 -3.935 4.937 3.463 1.00 23.12 N ATOM 64 CA VAL A 7 -5.338 4.627 3.217 1.00 24.31 C ATOM 65 C VAL A 7 -5.665 3.197 3.632 1.00 10.21 C ATOM 66 O VAL A 7 -6.256 2.965 4.688 1.00 11.12 O ATOM 67 CB VAL A 7 -5.703 4.815 1.733 1.00 63.13 C ATOM 68 CG1 VAL A 7 -7.105 4.295 1.457 1.00 62.22 C ATOM 69 CG2 VAL A 7 -5.580 6.278 1.335 1.00 3.53 C ATOM 0 H VAL A 7 -3.311 4.709 2.689 1.00 23.12 H new ATOM 0 HA VAL A 7 -5.926 5.321 3.818 1.00 24.31 H new ATOM 0 HB VAL A 7 -5.003 4.238 1.129 1.00 63.13 H new ATOM 0 HG11 VAL A 7 -7.345 4.437 0.403 1.00 62.22 H new ATOM 0 HG12 VAL A 7 -7.154 3.234 1.701 1.00 62.22 H new ATOM 0 HG13 VAL A 7 -7.823 4.841 2.069 1.00 62.22 H new ATOM 0 HG21 VAL A 7 -5.842 6.392 0.283 1.00 3.53 H new ATOM 0 HG22 VAL A 7 -6.255 6.879 1.944 1.00 3.53 H new ATOM 0 HG23 VAL A 7 -4.555 6.613 1.492 1.00 3.53 H new ATOM 79 N LEU A 8 -5.278 2.240 2.796 1.00 14.22 N ATOM 80 CA LEU A 8 -5.530 0.831 3.077 1.00 53.32 C ATOM 81 C LEU A 8 -5.908 0.626 4.540 1.00 74.20 C ATOM 82 O LEU A 8 -5.091 0.828 5.437 1.00 64.42 O ATOM 83 CB LEU A 8 -4.296 -0.006 2.735 1.00 4.10 C ATOM 84 CG LEU A 8 -3.896 -0.040 1.259 1.00 24.13 C ATOM 85 CD1 LEU A 8 -2.790 -1.059 1.031 1.00 44.05 C ATOM 86 CD2 LEU A 8 -5.101 -0.355 0.386 1.00 34.24 C ATOM 0 H LEU A 8 -4.789 2.414 1.918 1.00 14.22 H new ATOM 0 HA LEU A 8 -6.365 0.506 2.457 1.00 53.32 H new ATOM 0 HB2 LEU A 8 -3.452 0.375 3.311 1.00 4.10 H new ATOM 0 HB3 LEU A 8 -4.472 -1.029 3.067 1.00 4.10 H new ATOM 0 HG LEU A 8 -3.520 0.945 0.981 1.00 24.13 H new ATOM 0 HD11 LEU A 8 -2.518 -1.070 -0.024 1.00 44.05 H new ATOM 0 HD12 LEU A 8 -1.919 -0.790 1.628 1.00 44.05 H new ATOM 0 HD13 LEU A 8 -3.140 -2.048 1.326 1.00 44.05 H new ATOM 0 HD21 LEU A 8 -4.797 -0.375 -0.661 1.00 34.24 H new ATOM 0 HD22 LEU A 8 -5.508 -1.327 0.664 1.00 34.24 H new ATOM 0 HD23 LEU A 8 -5.863 0.411 0.528 1.00 34.24 H new ATOM 98 N SER A 9 -7.154 0.221 4.773 1.00 44.41 N ATOM 99 CA SER A 9 -7.641 -0.010 6.127 1.00 50.40 C ATOM 100 C SER A 9 -7.340 -1.436 6.577 1.00 52.43 C ATOM 101 O SER A 9 -6.641 -2.181 5.891 1.00 45.23 O ATOM 102 CB SER A 9 -9.146 0.254 6.201 1.00 12.25 C ATOM 103 OG SER A 9 -9.609 0.905 5.031 1.00 42.33 O ATOM 0 H SER A 9 -7.843 0.047 4.041 1.00 44.41 H new ATOM 0 HA SER A 9 -7.125 0.679 6.795 1.00 50.40 H new ATOM 0 HB2 SER A 9 -9.678 -0.689 6.331 1.00 12.25 H new ATOM 0 HB3 SER A 9 -9.368 0.868 7.074 1.00 12.25 H new ATOM 0 HG SER A 9 -10.574 1.060 5.103 1.00 42.33 H new ATOM 109 N GLY A 10 -7.874 -1.810 7.735 1.00 13.40 N ATOM 110 CA GLY A 10 -7.652 -3.146 8.258 1.00 13.13 C ATOM 111 C GLY A 10 -8.177 -4.225 7.333 1.00 52.22 C ATOM 112 O GLY A 10 -7.426 -5.091 6.888 1.00 45.15 O ATOM 0 H GLY A 10 -8.457 -1.212 8.321 1.00 13.40 H new ATOM 0 HA2 GLY A 10 -6.585 -3.297 8.419 1.00 13.13 H new ATOM 0 HA3 GLY A 10 -8.137 -3.238 9.230 1.00 13.13 H new ATOM 116 N GLY A 11 -9.474 -4.175 7.043 1.00 15.02 N ATOM 117 CA GLY A 11 -10.078 -5.163 6.167 1.00 1.04 C ATOM 118 C GLY A 11 -9.259 -5.404 4.914 1.00 12.02 C ATOM 119 O GLY A 11 -9.122 -6.541 4.464 1.00 11.44 O ATOM 0 H GLY A 11 -10.117 -3.468 7.399 1.00 15.02 H new ATOM 0 HA2 GLY A 11 -10.193 -6.102 6.708 1.00 1.04 H new ATOM 0 HA3 GLY A 11 -11.078 -4.832 5.886 1.00 1.04 H new ATOM 123 N GLU A 12 -8.716 -4.330 4.349 1.00 74.31 N ATOM 124 CA GLU A 12 -7.910 -4.431 3.138 1.00 64.34 C ATOM 125 C GLU A 12 -6.485 -4.863 3.468 1.00 4.45 C ATOM 126 O GLU A 12 -5.822 -5.525 2.668 1.00 41.42 O ATOM 127 CB GLU A 12 -7.890 -3.092 2.399 1.00 62.14 C ATOM 128 CG GLU A 12 -8.234 -3.206 0.923 1.00 2.54 C ATOM 129 CD GLU A 12 -9.726 -3.131 0.664 1.00 32.35 C ATOM 130 OE1 GLU A 12 -10.502 -3.592 1.527 1.00 32.52 O ATOM 131 OE2 GLU A 12 -10.118 -2.613 -0.402 1.00 3.34 O ATOM 0 H GLU A 12 -8.819 -3.382 4.710 1.00 74.31 H new ATOM 0 HA GLU A 12 -8.361 -5.186 2.494 1.00 64.34 H new ATOM 0 HB2 GLU A 12 -8.596 -2.413 2.877 1.00 62.14 H new ATOM 0 HB3 GLU A 12 -6.901 -2.646 2.499 1.00 62.14 H new ATOM 0 HG2 GLU A 12 -7.733 -2.408 0.374 1.00 2.54 H new ATOM 0 HG3 GLU A 12 -7.849 -4.149 0.536 1.00 2.54 H new ATOM 138 N LEU A 13 -6.017 -4.484 4.653 1.00 74.22 N ATOM 139 CA LEU A 13 -4.670 -4.831 5.091 1.00 71.34 C ATOM 140 C LEU A 13 -4.487 -6.345 5.144 1.00 41.23 C ATOM 141 O LEU A 13 -3.407 -6.860 4.855 1.00 65.22 O ATOM 142 CB LEU A 13 -4.386 -4.224 6.466 1.00 15.42 C ATOM 143 CG LEU A 13 -2.986 -4.465 7.031 1.00 52.42 C ATOM 144 CD1 LEU A 13 -1.950 -3.682 6.240 1.00 41.11 C ATOM 145 CD2 LEU A 13 -2.933 -4.087 8.504 1.00 2.22 C ATOM 0 H LEU A 13 -6.551 -3.936 5.327 1.00 74.22 H new ATOM 0 HA LEU A 13 -3.964 -4.423 4.368 1.00 71.34 H new ATOM 0 HB2 LEU A 13 -4.552 -3.148 6.407 1.00 15.42 H new ATOM 0 HB3 LEU A 13 -5.114 -4.621 7.173 1.00 15.42 H new ATOM 0 HG LEU A 13 -2.756 -5.527 6.941 1.00 52.42 H new ATOM 0 HD11 LEU A 13 -0.959 -3.866 6.656 1.00 41.11 H new ATOM 0 HD12 LEU A 13 -1.971 -4.001 5.198 1.00 41.11 H new ATOM 0 HD13 LEU A 13 -2.176 -2.617 6.298 1.00 41.11 H new ATOM 0 HD21 LEU A 13 -1.929 -4.265 8.889 1.00 2.22 H new ATOM 0 HD22 LEU A 13 -3.184 -3.032 8.618 1.00 2.22 H new ATOM 0 HD23 LEU A 13 -3.648 -4.692 9.061 1.00 2.22 H new ATOM 157 N ASP A 14 -5.550 -7.051 5.511 1.00 32.51 N ATOM 158 CA ASP A 14 -5.509 -8.507 5.599 1.00 52.23 C ATOM 159 C ASP A 14 -4.992 -9.114 4.299 1.00 51.05 C ATOM 160 O ASP A 14 -4.258 -10.102 4.310 1.00 12.23 O ATOM 161 CB ASP A 14 -6.898 -9.059 5.917 1.00 14.21 C ATOM 162 CG ASP A 14 -6.887 -10.003 7.104 1.00 35.12 C ATOM 163 OD1 ASP A 14 -6.635 -11.209 6.900 1.00 5.24 O ATOM 164 OD2 ASP A 14 -7.134 -9.536 8.237 1.00 61.33 O ATOM 0 H ASP A 14 -6.451 -6.639 5.753 1.00 32.51 H new ATOM 0 HA ASP A 14 -4.826 -8.779 6.404 1.00 52.23 H new ATOM 0 HB2 ASP A 14 -7.577 -8.231 6.121 1.00 14.21 H new ATOM 0 HB3 ASP A 14 -7.287 -9.582 5.044 1.00 14.21 H new ATOM 169 N LYS A 15 -5.381 -8.517 3.176 1.00 30.24 N ATOM 170 CA LYS A 15 -4.958 -8.999 1.867 1.00 1.32 C ATOM 171 C LYS A 15 -3.560 -8.492 1.527 1.00 61.01 C ATOM 172 O LYS A 15 -2.851 -9.095 0.723 1.00 65.45 O ATOM 173 CB LYS A 15 -5.950 -8.549 0.791 1.00 72.52 C ATOM 174 CG LYS A 15 -6.799 -9.682 0.236 1.00 11.32 C ATOM 175 CD LYS A 15 -7.813 -10.170 1.258 1.00 64.25 C ATOM 176 CE LYS A 15 -8.198 -11.621 1.010 1.00 32.13 C ATOM 177 NZ LYS A 15 -8.911 -12.212 2.176 1.00 21.22 N ATOM 0 H LYS A 15 -5.989 -7.698 3.147 1.00 30.24 H new ATOM 0 HA LYS A 15 -4.933 -10.088 1.898 1.00 1.32 H new ATOM 0 HB2 LYS A 15 -6.606 -7.786 1.209 1.00 72.52 H new ATOM 0 HB3 LYS A 15 -5.400 -8.083 -0.027 1.00 72.52 H new ATOM 0 HG2 LYS A 15 -7.318 -9.343 -0.661 1.00 11.32 H new ATOM 0 HG3 LYS A 15 -6.154 -10.509 -0.062 1.00 11.32 H new ATOM 0 HD2 LYS A 15 -7.398 -10.068 2.261 1.00 64.25 H new ATOM 0 HD3 LYS A 15 -8.704 -9.543 1.216 1.00 64.25 H new ATOM 0 HE2 LYS A 15 -8.833 -11.682 0.126 1.00 32.13 H new ATOM 0 HE3 LYS A 15 -7.301 -12.204 0.799 1.00 32.13 H new ATOM 0 HZ1 LYS A 15 -9.156 -13.201 1.968 1.00 21.22 H new ATOM 0 HZ2 LYS A 15 -8.296 -12.177 3.014 1.00 21.22 H new ATOM 0 HZ3 LYS A 15 -9.780 -11.672 2.362 1.00 21.22 H new ATOM 191 N TRP A 16 -3.171 -7.382 2.144 1.00 74.21 N ATOM 192 CA TRP A 16 -1.857 -6.796 1.907 1.00 35.41 C ATOM 193 C TRP A 16 -0.767 -7.604 2.602 1.00 71.42 C ATOM 194 O TRP A 16 0.305 -7.826 2.042 1.00 3.04 O ATOM 195 CB TRP A 16 -1.826 -5.348 2.398 1.00 73.25 C ATOM 196 CG TRP A 16 -0.439 -4.826 2.619 1.00 52.40 C ATOM 197 CD1 TRP A 16 0.252 -4.810 3.797 1.00 40.12 C ATOM 198 CD2 TRP A 16 0.425 -4.242 1.638 1.00 54.15 C ATOM 199 NE1 TRP A 16 1.493 -4.251 3.607 1.00 60.53 N ATOM 200 CE2 TRP A 16 1.624 -3.895 2.290 1.00 35.50 C ATOM 201 CE3 TRP A 16 0.302 -3.980 0.270 1.00 32.40 C ATOM 202 CZ2 TRP A 16 2.690 -3.300 1.621 1.00 63.42 C ATOM 203 CZ3 TRP A 16 1.361 -3.389 -0.392 1.00 52.12 C ATOM 204 CH2 TRP A 16 2.543 -3.056 0.283 1.00 52.43 C ATOM 0 H TRP A 16 -3.747 -6.870 2.812 1.00 74.21 H new ATOM 0 HA TRP A 16 -1.668 -6.813 0.834 1.00 35.41 H new ATOM 0 HB2 TRP A 16 -2.334 -4.714 1.671 1.00 73.25 H new ATOM 0 HB3 TRP A 16 -2.387 -5.276 3.330 1.00 73.25 H new ATOM 0 HD1 TRP A 16 -0.122 -5.182 4.739 1.00 40.12 H new ATOM 0 HE1 TRP A 16 2.202 -4.122 4.329 1.00 60.53 H new ATOM 0 HE3 TRP A 16 -0.604 -4.235 -0.259 1.00 32.40 H new ATOM 0 HZ2 TRP A 16 3.601 -3.040 2.140 1.00 63.42 H new ATOM 0 HZ3 TRP A 16 1.276 -3.180 -1.448 1.00 52.12 H new ATOM 0 HH2 TRP A 16 3.354 -2.598 -0.264 1.00 52.43 H new ATOM 215 N GLU A 17 -1.051 -8.044 3.825 1.00 2.00 N ATOM 216 CA GLU A 17 -0.092 -8.827 4.595 1.00 21.31 C ATOM 217 C GLU A 17 -0.049 -10.271 4.102 1.00 52.02 C ATOM 218 O GLU A 17 0.719 -11.090 4.608 1.00 11.03 O ATOM 219 CB GLU A 17 -0.452 -8.796 6.082 1.00 12.10 C ATOM 220 CG GLU A 17 -0.343 -7.414 6.705 1.00 65.11 C ATOM 221 CD GLU A 17 0.044 -7.464 8.171 1.00 71.20 C ATOM 222 OE1 GLU A 17 1.257 -7.523 8.463 1.00 50.03 O ATOM 223 OE2 GLU A 17 -0.866 -7.445 9.025 1.00 31.35 O ATOM 0 H GLU A 17 -1.936 -7.872 4.302 1.00 2.00 H new ATOM 0 HA GLU A 17 0.894 -8.384 4.457 1.00 21.31 H new ATOM 0 HB2 GLU A 17 -1.470 -9.163 6.209 1.00 12.10 H new ATOM 0 HB3 GLU A 17 0.203 -9.481 6.620 1.00 12.10 H new ATOM 0 HG2 GLU A 17 0.397 -6.830 6.157 1.00 65.11 H new ATOM 0 HG3 GLU A 17 -1.297 -6.897 6.602 1.00 65.11 H new ATOM 230 N LYS A 18 -0.880 -10.576 3.111 1.00 65.41 N ATOM 231 CA LYS A 18 -0.937 -11.920 2.547 1.00 31.42 C ATOM 232 C LYS A 18 0.130 -12.106 1.472 1.00 14.13 C ATOM 233 O LYS A 18 0.483 -13.232 1.123 1.00 34.55 O ATOM 234 CB LYS A 18 -2.323 -12.189 1.957 1.00 74.00 C ATOM 235 CG LYS A 18 -2.720 -13.655 1.978 1.00 41.52 C ATOM 236 CD LYS A 18 -3.140 -14.100 3.368 1.00 53.41 C ATOM 237 CE LYS A 18 -2.947 -15.596 3.558 1.00 42.31 C ATOM 238 NZ LYS A 18 -1.517 -15.991 3.427 1.00 70.34 N ATOM 0 H LYS A 18 -1.523 -9.911 2.682 1.00 65.41 H new ATOM 0 HA LYS A 18 -0.746 -12.632 3.350 1.00 31.42 H new ATOM 0 HB2 LYS A 18 -3.063 -11.613 2.513 1.00 74.00 H new ATOM 0 HB3 LYS A 18 -2.346 -11.830 0.928 1.00 74.00 H new ATOM 0 HG2 LYS A 18 -3.540 -13.821 1.279 1.00 41.52 H new ATOM 0 HG3 LYS A 18 -1.883 -14.264 1.638 1.00 41.52 H new ATOM 0 HD2 LYS A 18 -2.559 -13.560 4.115 1.00 53.41 H new ATOM 0 HD3 LYS A 18 -4.187 -13.844 3.532 1.00 53.41 H new ATOM 0 HE2 LYS A 18 -3.316 -15.888 4.541 1.00 42.31 H new ATOM 0 HE3 LYS A 18 -3.542 -16.136 2.821 1.00 42.31 H new ATOM 0 HZ1 LYS A 18 -1.339 -16.844 3.995 1.00 70.34 H new ATOM 0 HZ2 LYS A 18 -1.302 -16.189 2.429 1.00 70.34 H new ATOM 0 HZ3 LYS A 18 -0.911 -15.217 3.765 1.00 70.34 H new ATOM 252 N ILE A 19 0.639 -10.994 0.953 1.00 74.33 N ATOM 253 CA ILE A 19 1.667 -11.035 -0.080 1.00 11.13 C ATOM 254 C ILE A 19 3.060 -11.126 0.534 1.00 13.24 C ATOM 255 O ILE A 19 3.367 -10.434 1.505 1.00 30.51 O ATOM 256 CB ILE A 19 1.599 -9.795 -0.991 1.00 51.23 C ATOM 257 CG1 ILE A 19 0.248 -9.733 -1.706 1.00 62.22 C ATOM 258 CG2 ILE A 19 2.737 -9.817 -2.000 1.00 3.23 C ATOM 259 CD1 ILE A 19 -0.534 -8.472 -1.413 1.00 50.30 C ATOM 0 H ILE A 19 0.357 -10.054 1.231 1.00 74.33 H new ATOM 0 HA ILE A 19 1.478 -11.926 -0.679 1.00 11.13 H new ATOM 0 HB ILE A 19 1.703 -8.903 -0.373 1.00 51.23 H new ATOM 0 HG12 ILE A 19 0.411 -9.808 -2.781 1.00 62.22 H new ATOM 0 HG13 ILE A 19 -0.349 -10.597 -1.413 1.00 62.22 H new ATOM 0 HG21 ILE A 19 2.676 -8.934 -2.637 1.00 3.23 H new ATOM 0 HG22 ILE A 19 3.691 -9.818 -1.473 1.00 3.23 H new ATOM 0 HG23 ILE A 19 2.661 -10.714 -2.615 1.00 3.23 H new ATOM 0 HD11 ILE A 19 -1.480 -8.497 -1.953 1.00 50.30 H new ATOM 0 HD12 ILE A 19 -0.729 -8.405 -0.343 1.00 50.30 H new ATOM 0 HD13 ILE A 19 0.043 -7.604 -1.732 1.00 50.30 H new ATOM 271 N ARG A 20 3.898 -11.982 -0.040 1.00 4.13 N ATOM 272 CA ARG A 20 5.260 -12.163 0.450 1.00 10.00 C ATOM 273 C ARG A 20 6.154 -11.008 0.009 1.00 11.34 C ATOM 274 O ARG A 20 5.754 -10.173 -0.804 1.00 73.30 O ATOM 275 CB ARG A 20 5.834 -13.488 -0.054 1.00 34.13 C ATOM 276 CG ARG A 20 4.972 -14.693 0.284 1.00 64.42 C ATOM 277 CD ARG A 20 5.219 -15.175 1.704 1.00 65.22 C ATOM 278 NE ARG A 20 4.808 -16.564 1.890 1.00 3.44 N ATOM 279 CZ ARG A 20 4.547 -17.100 3.078 1.00 52.11 C ATOM 280 NH1 ARG A 20 4.653 -16.367 4.178 1.00 64.53 N ATOM 281 NH2 ARG A 20 4.177 -18.371 3.166 1.00 61.32 N ATOM 0 H ARG A 20 3.659 -12.561 -0.845 1.00 4.13 H new ATOM 0 HA ARG A 20 5.229 -12.180 1.539 1.00 10.00 H new ATOM 0 HB2 ARG A 20 5.958 -13.433 -1.136 1.00 34.13 H new ATOM 0 HB3 ARG A 20 6.826 -13.630 0.374 1.00 34.13 H new ATOM 0 HG2 ARG A 20 3.920 -14.434 0.165 1.00 64.42 H new ATOM 0 HG3 ARG A 20 5.183 -15.500 -0.417 1.00 64.42 H new ATOM 0 HD2 ARG A 20 6.278 -15.076 1.941 1.00 65.22 H new ATOM 0 HD3 ARG A 20 4.675 -14.539 2.402 1.00 65.22 H new ATOM 0 HE ARG A 20 4.716 -17.155 1.064 1.00 3.44 H new ATOM 0 HH11 ARG A 20 4.935 -15.389 4.114 1.00 64.53 H new ATOM 0 HH12 ARG A 20 4.452 -16.781 5.088 1.00 64.53 H new ATOM 0 HH21 ARG A 20 4.093 -18.937 2.322 1.00 61.32 H new ATOM 0 HH22 ARG A 20 3.977 -18.782 4.078 1.00 61.32 H new ATOM 295 N LEU A 21 7.366 -10.965 0.553 1.00 51.52 N ATOM 296 CA LEU A 21 8.318 -9.912 0.216 1.00 2.33 C ATOM 297 C LEU A 21 9.294 -10.383 -0.858 1.00 15.54 C ATOM 298 O LEU A 21 9.538 -9.680 -1.839 1.00 42.01 O ATOM 299 CB LEU A 21 9.087 -9.474 1.464 1.00 53.03 C ATOM 300 CG LEU A 21 8.254 -8.834 2.575 1.00 42.11 C ATOM 301 CD1 LEU A 21 9.085 -8.669 3.838 1.00 64.51 C ATOM 302 CD2 LEU A 21 7.702 -7.490 2.121 1.00 70.43 C ATOM 0 H LEU A 21 7.712 -11.646 1.229 1.00 51.52 H new ATOM 0 HA LEU A 21 7.759 -9.062 -0.175 1.00 2.33 H new ATOM 0 HB2 LEU A 21 9.598 -10.344 1.876 1.00 53.03 H new ATOM 0 HB3 LEU A 21 9.858 -8.766 1.161 1.00 53.03 H new ATOM 0 HG LEU A 21 7.415 -9.493 2.799 1.00 42.11 H new ATOM 0 HD11 LEU A 21 8.475 -8.212 4.618 1.00 64.51 H new ATOM 0 HD12 LEU A 21 9.433 -9.646 4.175 1.00 64.51 H new ATOM 0 HD13 LEU A 21 9.943 -8.031 3.628 1.00 64.51 H new ATOM 0 HD21 LEU A 21 7.112 -7.049 2.924 1.00 70.43 H new ATOM 0 HD22 LEU A 21 8.527 -6.824 1.869 1.00 70.43 H new ATOM 0 HD23 LEU A 21 7.071 -7.633 1.244 1.00 70.43 H new ATOM 314 N ARG A 22 9.847 -11.575 -0.665 1.00 40.04 N ATOM 315 CA ARG A 22 10.794 -12.140 -1.618 1.00 24.32 C ATOM 316 C ARG A 22 10.141 -13.242 -2.447 1.00 22.41 C ATOM 317 O ARG A 22 9.062 -13.737 -2.125 1.00 72.41 O ATOM 318 CB ARG A 22 12.018 -12.696 -0.885 1.00 14.25 C ATOM 319 CG ARG A 22 13.236 -11.790 -0.959 1.00 51.22 C ATOM 320 CD ARG A 22 14.526 -12.594 -0.989 1.00 73.45 C ATOM 321 NE ARG A 22 15.694 -11.767 -0.699 1.00 0.43 N ATOM 322 CZ ARG A 22 16.880 -12.261 -0.365 1.00 41.01 C ATOM 323 NH1 ARG A 22 17.056 -13.572 -0.280 1.00 43.11 N ATOM 324 NH2 ARG A 22 17.895 -11.443 -0.115 1.00 1.50 N ATOM 0 H ARG A 22 9.656 -12.168 0.142 1.00 40.04 H new ATOM 0 HA ARG A 22 11.112 -11.343 -2.291 1.00 24.32 H new ATOM 0 HB2 ARG A 22 11.761 -12.860 0.161 1.00 14.25 H new ATOM 0 HB3 ARG A 22 12.273 -13.668 -1.307 1.00 14.25 H new ATOM 0 HG2 ARG A 22 13.174 -11.166 -1.851 1.00 51.22 H new ATOM 0 HG3 ARG A 22 13.244 -11.118 -0.100 1.00 51.22 H new ATOM 0 HD2 ARG A 22 14.465 -13.403 -0.261 1.00 73.45 H new ATOM 0 HD3 ARG A 22 14.643 -13.055 -1.970 1.00 73.45 H new ATOM 0 HE ARG A 22 15.593 -10.754 -0.756 1.00 0.43 H new ATOM 0 HH11 ARG A 22 16.279 -14.204 -0.471 1.00 43.11 H new ATOM 0 HH12 ARG A 22 17.969 -13.948 -0.023 1.00 43.11 H new ATOM 0 HH21 ARG A 22 17.764 -10.433 -0.179 1.00 1.50 H new ATOM 0 HH22 ARG A 22 18.806 -11.824 0.142 1.00 1.50 H new ATOM 338 N PRO A 23 10.811 -13.635 -3.541 1.00 72.20 N ATOM 339 CA PRO A 23 10.314 -14.683 -4.438 1.00 64.13 C ATOM 340 C PRO A 23 10.356 -16.065 -3.796 1.00 61.45 C ATOM 341 O PRO A 23 9.355 -16.779 -3.770 1.00 14.01 O ATOM 342 CB PRO A 23 11.275 -14.616 -5.627 1.00 45.32 C ATOM 343 CG PRO A 23 12.531 -14.041 -5.068 1.00 13.13 C ATOM 344 CD PRO A 23 12.103 -13.089 -3.985 1.00 1.40 C ATOM 0 HA PRO A 23 9.269 -14.527 -4.707 1.00 64.13 H new ATOM 0 HB2 PRO A 23 11.447 -15.605 -6.053 1.00 45.32 H new ATOM 0 HB3 PRO A 23 10.874 -13.991 -6.425 1.00 45.32 H new ATOM 0 HG2 PRO A 23 13.175 -14.824 -4.667 1.00 13.13 H new ATOM 0 HG3 PRO A 23 13.101 -13.524 -5.840 1.00 13.13 H new ATOM 0 HD2 PRO A 23 12.826 -13.056 -3.170 1.00 1.40 H new ATOM 0 HD3 PRO A 23 12.001 -12.071 -4.362 1.00 1.40 H new ATOM 352 N GLY A 24 11.523 -16.437 -3.278 1.00 11.30 N ATOM 353 CA GLY A 24 11.674 -17.732 -2.642 1.00 32.30 C ATOM 354 C GLY A 24 11.772 -17.630 -1.133 1.00 70.31 C ATOM 355 O GLY A 24 12.298 -18.527 -0.475 1.00 50.44 O ATOM 0 H GLY A 24 12.367 -15.864 -3.288 1.00 11.30 H new ATOM 0 HA2 GLY A 24 10.826 -18.364 -2.906 1.00 32.30 H new ATOM 0 HA3 GLY A 24 12.568 -18.221 -3.029 1.00 32.30 H new ATOM 359 N GLY A 25 11.265 -16.531 -0.582 1.00 74.42 N ATOM 360 CA GLY A 25 11.309 -16.334 0.855 1.00 11.01 C ATOM 361 C GLY A 25 9.993 -16.674 1.528 1.00 2.45 C ATOM 362 O GLY A 25 9.108 -17.270 0.914 1.00 60.23 O ATOM 0 H GLY A 25 10.825 -15.774 -1.105 1.00 74.42 H new ATOM 0 HA2 GLY A 25 12.101 -16.952 1.279 1.00 11.01 H new ATOM 0 HA3 GLY A 25 11.565 -15.296 1.069 1.00 11.01 H new ATOM 366 N LYS A 26 9.864 -16.296 2.796 1.00 70.34 N ATOM 367 CA LYS A 26 8.648 -16.564 3.554 1.00 51.31 C ATOM 368 C LYS A 26 8.155 -15.302 4.255 1.00 72.13 C ATOM 369 O LYS A 26 7.159 -15.331 4.979 1.00 5.04 O ATOM 370 CB LYS A 26 8.897 -17.668 4.584 1.00 0.24 C ATOM 371 CG LYS A 26 8.830 -19.069 4.002 1.00 61.41 C ATOM 372 CD LYS A 26 7.405 -19.456 3.646 1.00 74.51 C ATOM 373 CE LYS A 26 7.327 -20.085 2.263 1.00 52.42 C ATOM 374 NZ LYS A 26 6.348 -21.205 2.217 1.00 71.33 N ATOM 0 H LYS A 26 10.587 -15.803 3.320 1.00 70.34 H new ATOM 0 HA LYS A 26 7.880 -16.894 2.855 1.00 51.31 H new ATOM 0 HB2 LYS A 26 9.878 -17.518 5.035 1.00 0.24 H new ATOM 0 HB3 LYS A 26 8.161 -17.580 5.383 1.00 0.24 H new ATOM 0 HG2 LYS A 26 9.457 -19.125 3.112 1.00 61.41 H new ATOM 0 HG3 LYS A 26 9.233 -19.782 4.721 1.00 61.41 H new ATOM 0 HD2 LYS A 26 7.021 -20.157 4.388 1.00 74.51 H new ATOM 0 HD3 LYS A 26 6.767 -18.573 3.682 1.00 74.51 H new ATOM 0 HE2 LYS A 26 7.044 -19.325 1.534 1.00 52.42 H new ATOM 0 HE3 LYS A 26 8.312 -20.452 1.975 1.00 52.42 H new ATOM 0 HZ1 LYS A 26 6.325 -21.607 1.258 1.00 71.33 H new ATOM 0 HZ2 LYS A 26 6.631 -21.942 2.894 1.00 71.33 H new ATOM 0 HZ3 LYS A 26 5.403 -20.850 2.467 1.00 71.33 H new ATOM 388 N LYS A 27 8.855 -14.196 4.033 1.00 41.11 N ATOM 389 CA LYS A 27 8.488 -12.922 4.641 1.00 50.34 C ATOM 390 C LYS A 27 7.228 -12.355 3.996 1.00 51.14 C ATOM 391 O LYS A 27 7.011 -12.511 2.794 1.00 71.22 O ATOM 392 CB LYS A 27 9.636 -11.920 4.508 1.00 43.24 C ATOM 393 CG LYS A 27 11.002 -12.518 4.797 1.00 22.41 C ATOM 394 CD LYS A 27 11.916 -11.517 5.484 1.00 51.35 C ATOM 395 CE LYS A 27 13.055 -12.211 6.214 1.00 31.23 C ATOM 396 NZ LYS A 27 14.283 -12.296 5.374 1.00 33.34 N ATOM 0 H LYS A 27 9.681 -14.155 3.436 1.00 41.11 H new ATOM 0 HA LYS A 27 8.287 -13.097 5.698 1.00 50.34 H new ATOM 0 HB2 LYS A 27 9.634 -11.510 3.498 1.00 43.24 H new ATOM 0 HB3 LYS A 27 9.461 -11.088 5.190 1.00 43.24 H new ATOM 0 HG2 LYS A 27 10.888 -13.400 5.427 1.00 22.41 H new ATOM 0 HG3 LYS A 27 11.459 -12.849 3.865 1.00 22.41 H new ATOM 0 HD2 LYS A 27 12.323 -10.828 4.744 1.00 51.35 H new ATOM 0 HD3 LYS A 27 11.339 -10.921 6.191 1.00 51.35 H new ATOM 0 HE2 LYS A 27 13.280 -11.670 7.133 1.00 31.23 H new ATOM 0 HE3 LYS A 27 12.743 -13.214 6.503 1.00 31.23 H new ATOM 0 HZ1 LYS A 27 15.036 -12.776 5.907 1.00 33.34 H new ATOM 0 HZ2 LYS A 27 14.075 -12.834 4.509 1.00 33.34 H new ATOM 0 HZ3 LYS A 27 14.596 -11.338 5.119 1.00 33.34 H new ATOM 410 N GLN A 28 6.401 -11.696 4.801 1.00 33.51 N ATOM 411 CA GLN A 28 5.163 -11.106 4.307 1.00 15.10 C ATOM 412 C GLN A 28 5.244 -9.583 4.315 1.00 3.44 C ATOM 413 O GLN A 28 6.254 -9.008 4.722 1.00 42.34 O ATOM 414 CB GLN A 28 3.978 -11.569 5.156 1.00 74.23 C ATOM 415 CG GLN A 28 3.988 -13.061 5.452 1.00 45.10 C ATOM 416 CD GLN A 28 4.733 -13.396 6.729 1.00 32.23 C ATOM 417 OE1 GLN A 28 5.287 -12.515 7.388 1.00 65.33 O ATOM 418 NE2 GLN A 28 4.748 -14.674 7.087 1.00 25.32 N ATOM 0 H GLN A 28 6.566 -11.557 5.798 1.00 33.51 H new ATOM 0 HA GLN A 28 5.017 -11.439 3.279 1.00 15.10 H new ATOM 0 HB2 GLN A 28 3.980 -11.020 6.098 1.00 74.23 H new ATOM 0 HB3 GLN A 28 3.051 -11.315 4.641 1.00 74.23 H new ATOM 0 HG2 GLN A 28 2.962 -13.419 5.530 1.00 45.10 H new ATOM 0 HG3 GLN A 28 4.448 -13.590 4.618 1.00 45.10 H new ATOM 0 HE21 GLN A 28 4.276 -15.371 6.511 1.00 25.32 H new ATOM 0 HE22 GLN A 28 5.232 -14.960 7.938 1.00 25.32 H new ATOM 427 N TYR A 29 4.175 -8.936 3.865 1.00 5.41 N ATOM 428 CA TYR A 29 4.127 -7.479 3.819 1.00 44.24 C ATOM 429 C TYR A 29 3.461 -6.916 5.071 1.00 51.20 C ATOM 430 O TYR A 29 2.527 -7.508 5.612 1.00 21.01 O ATOM 431 CB TYR A 29 3.373 -7.012 2.573 1.00 64.20 C ATOM 432 CG TYR A 29 4.275 -6.708 1.397 1.00 4.14 C ATOM 433 CD1 TYR A 29 5.020 -5.536 1.354 1.00 24.24 C ATOM 434 CD2 TYR A 29 4.382 -7.591 0.331 1.00 1.11 C ATOM 435 CE1 TYR A 29 5.846 -5.253 0.283 1.00 32.12 C ATOM 436 CE2 TYR A 29 5.206 -7.318 -0.744 1.00 53.35 C ATOM 437 CZ TYR A 29 5.935 -6.147 -0.764 1.00 34.43 C ATOM 438 OH TYR A 29 6.756 -5.870 -1.833 1.00 51.42 O ATOM 0 H TYR A 29 3.330 -9.397 3.527 1.00 5.41 H new ATOM 0 HA TYR A 29 5.151 -7.108 3.776 1.00 44.24 H new ATOM 0 HB2 TYR A 29 2.658 -7.781 2.282 1.00 64.20 H new ATOM 0 HB3 TYR A 29 2.798 -6.119 2.820 1.00 64.20 H new ATOM 0 HD1 TYR A 29 4.952 -4.834 2.172 1.00 24.24 H new ATOM 0 HD2 TYR A 29 3.811 -8.508 0.342 1.00 1.11 H new ATOM 0 HE1 TYR A 29 6.419 -4.337 0.266 1.00 32.12 H new ATOM 0 HE2 TYR A 29 5.279 -8.017 -1.564 1.00 53.35 H new ATOM 0 HH TYR A 29 7.087 -6.709 -2.217 1.00 51.42 H new ATOM 448 N LYS A 30 3.949 -5.766 5.526 1.00 54.14 N ATOM 449 CA LYS A 30 3.402 -5.119 6.712 1.00 72.44 C ATOM 450 C LYS A 30 3.163 -3.634 6.461 1.00 53.14 C ATOM 451 O LYS A 30 3.783 -3.035 5.580 1.00 21.21 O ATOM 452 CB LYS A 30 4.349 -5.300 7.900 1.00 63.14 C ATOM 453 CG LYS A 30 4.191 -6.635 8.607 1.00 73.30 C ATOM 454 CD LYS A 30 3.660 -6.459 10.019 1.00 41.31 C ATOM 455 CE LYS A 30 3.952 -7.677 10.881 1.00 24.04 C ATOM 456 NZ LYS A 30 4.732 -7.322 12.099 1.00 53.25 N ATOM 0 H LYS A 30 4.722 -5.263 5.091 1.00 54.14 H new ATOM 0 HA LYS A 30 2.446 -5.589 6.942 1.00 72.44 H new ATOM 0 HB2 LYS A 30 5.377 -5.202 7.552 1.00 63.14 H new ATOM 0 HB3 LYS A 30 4.177 -4.497 8.616 1.00 63.14 H new ATOM 0 HG2 LYS A 30 3.512 -7.271 8.039 1.00 73.30 H new ATOM 0 HG3 LYS A 30 5.153 -7.146 8.640 1.00 73.30 H new ATOM 0 HD2 LYS A 30 4.111 -5.576 10.471 1.00 41.31 H new ATOM 0 HD3 LYS A 30 2.584 -6.285 9.985 1.00 41.31 H new ATOM 0 HE2 LYS A 30 3.013 -8.147 11.175 1.00 24.04 H new ATOM 0 HE3 LYS A 30 4.506 -8.411 10.296 1.00 24.04 H new ATOM 0 HZ1 LYS A 30 4.910 -8.180 12.659 1.00 53.25 H new ATOM 0 HZ2 LYS A 30 5.639 -6.897 11.819 1.00 53.25 H new ATOM 0 HZ3 LYS A 30 4.192 -6.641 12.671 1.00 53.25 H new ATOM 470 N LEU A 31 2.262 -3.044 7.239 1.00 41.44 N ATOM 471 CA LEU A 31 1.942 -1.627 7.101 1.00 1.11 C ATOM 472 C LEU A 31 3.212 -0.794 6.963 1.00 41.41 C ATOM 473 O LEU A 31 3.307 0.073 6.093 1.00 2.15 O ATOM 474 CB LEU A 31 1.132 -1.148 8.306 1.00 12.42 C ATOM 475 CG LEU A 31 0.054 -0.101 8.018 1.00 63.44 C ATOM 476 CD1 LEU A 31 -1.211 -0.768 7.502 1.00 14.30 C ATOM 477 CD2 LEU A 31 -0.241 0.718 9.266 1.00 62.11 C ATOM 0 H LEU A 31 1.740 -3.525 7.972 1.00 41.44 H new ATOM 0 HA LEU A 31 1.346 -1.500 6.197 1.00 1.11 H new ATOM 0 HB2 LEU A 31 0.655 -2.014 8.765 1.00 12.42 H new ATOM 0 HB3 LEU A 31 1.823 -0.736 9.042 1.00 12.42 H new ATOM 0 HG LEU A 31 0.425 0.574 7.246 1.00 63.44 H new ATOM 0 HD11 LEU A 31 -1.967 -0.009 7.302 1.00 14.30 H new ATOM 0 HD12 LEU A 31 -0.988 -1.309 6.582 1.00 14.30 H new ATOM 0 HD13 LEU A 31 -1.586 -1.465 8.251 1.00 14.30 H new ATOM 0 HD21 LEU A 31 -1.010 1.458 9.043 1.00 62.11 H new ATOM 0 HD22 LEU A 31 -0.592 0.058 10.060 1.00 62.11 H new ATOM 0 HD23 LEU A 31 0.667 1.226 9.591 1.00 62.11 H new ATOM 489 N LYS A 32 4.187 -1.062 7.825 1.00 73.43 N ATOM 490 CA LYS A 32 5.454 -0.340 7.798 1.00 74.51 C ATOM 491 C LYS A 32 5.883 -0.048 6.364 1.00 54.10 C ATOM 492 O LYS A 32 6.302 1.066 6.046 1.00 12.03 O ATOM 493 CB LYS A 32 6.539 -1.148 8.512 1.00 22.13 C ATOM 494 CG LYS A 32 7.818 -0.365 8.758 1.00 14.13 C ATOM 495 CD LYS A 32 8.816 -0.559 7.630 1.00 61.13 C ATOM 496 CE LYS A 32 10.123 -1.149 8.137 1.00 52.22 C ATOM 497 NZ LYS A 32 10.960 -0.129 8.828 1.00 20.33 N ATOM 0 H LYS A 32 4.124 -1.775 8.552 1.00 73.43 H new ATOM 0 HA LYS A 32 5.315 0.608 8.317 1.00 74.51 H new ATOM 0 HB2 LYS A 32 6.149 -1.500 9.467 1.00 22.13 H new ATOM 0 HB3 LYS A 32 6.772 -2.032 7.918 1.00 22.13 H new ATOM 0 HG2 LYS A 32 7.583 0.695 8.859 1.00 14.13 H new ATOM 0 HG3 LYS A 32 8.265 -0.684 9.700 1.00 14.13 H new ATOM 0 HD2 LYS A 32 8.388 -1.217 6.873 1.00 61.13 H new ATOM 0 HD3 LYS A 32 9.011 0.398 7.147 1.00 61.13 H new ATOM 0 HE2 LYS A 32 9.910 -1.969 8.823 1.00 52.22 H new ATOM 0 HE3 LYS A 32 10.680 -1.570 7.300 1.00 52.22 H new ATOM 0 HZ1 LYS A 32 11.842 -0.570 9.159 1.00 20.33 H new ATOM 0 HZ2 LYS A 32 11.185 0.641 8.167 1.00 20.33 H new ATOM 0 HZ3 LYS A 32 10.438 0.255 9.642 1.00 20.33 H new ATOM 511 N HIS A 33 5.774 -1.053 5.501 1.00 11.34 N ATOM 512 CA HIS A 33 6.149 -0.903 4.100 1.00 43.32 C ATOM 513 C HIS A 33 5.203 0.059 3.385 1.00 34.51 C ATOM 514 O HIS A 33 5.706 0.885 2.623 1.00 61.53 O ATOM 515 CB HIS A 33 6.139 -2.262 3.398 1.00 64.01 C ATOM 516 CG HIS A 33 6.950 -3.305 4.103 1.00 51.00 C ATOM 517 ND1 HIS A 33 6.404 -4.460 4.621 1.00 35.53 N ATOM 518 CD2 HIS A 33 8.275 -3.363 4.374 1.00 34.43 C ATOM 519 CE1 HIS A 33 7.357 -5.183 5.181 1.00 31.32 C ATOM 520 NE2 HIS A 33 8.503 -4.540 5.043 1.00 14.35 N ATOM 0 H HIS A 33 5.429 -1.981 5.748 1.00 11.34 H new ATOM 0 HA HIS A 33 7.157 -0.491 4.062 1.00 43.32 H new ATOM 0 HB2 HIS A 33 5.110 -2.610 3.312 1.00 64.01 H new ATOM 0 HB3 HIS A 33 6.520 -2.141 2.384 1.00 64.01 H new ATOM 0 HD2 HIS A 33 9.015 -2.621 4.113 1.00 34.43 H new ATOM 0 HE1 HIS A 33 7.222 -6.137 5.669 1.00 31.32 H new ATOM 0 HE2 HIS A 33 9.410 -4.865 5.379 1.00 14.35 H new ATOM 528 N ILE A 34 3.894 -0.025 3.602 1.00 45.42 N ATOM 529 CA ILE A 34 2.953 0.872 2.944 1.00 41.34 C ATOM 530 C ILE A 34 3.269 2.330 3.261 1.00 61.13 C ATOM 531 O ILE A 34 3.515 3.133 2.360 1.00 25.14 O ATOM 532 CB ILE A 34 1.502 0.570 3.361 1.00 44.24 C ATOM 533 CG1 ILE A 34 1.097 -0.832 2.901 1.00 23.24 C ATOM 534 CG2 ILE A 34 0.557 1.615 2.785 1.00 43.34 C ATOM 535 CD1 ILE A 34 -0.312 -1.214 3.295 1.00 53.45 C ATOM 0 H ILE A 34 3.462 -0.705 4.228 1.00 45.42 H new ATOM 0 HA ILE A 34 3.056 0.706 1.872 1.00 41.34 H new ATOM 0 HB ILE A 34 1.437 0.608 4.448 1.00 44.24 H new ATOM 0 HG12 ILE A 34 1.191 -0.891 1.817 1.00 23.24 H new ATOM 0 HG13 ILE A 34 1.793 -1.558 3.321 1.00 23.24 H new ATOM 0 HG21 ILE A 34 -0.465 1.388 3.088 1.00 43.34 H new ATOM 0 HG22 ILE A 34 0.835 2.601 3.156 1.00 43.34 H new ATOM 0 HG23 ILE A 34 0.623 1.605 1.697 1.00 43.34 H new ATOM 0 HD11 ILE A 34 -0.530 -2.220 2.936 1.00 53.45 H new ATOM 0 HD12 ILE A 34 -0.406 -1.188 4.381 1.00 53.45 H new ATOM 0 HD13 ILE A 34 -1.017 -0.510 2.853 1.00 53.45 H new ATOM 547 N VAL A 35 3.262 2.665 4.546 1.00 14.44 N ATOM 548 CA VAL A 35 3.550 4.026 4.984 1.00 70.31 C ATOM 549 C VAL A 35 4.857 4.531 4.385 1.00 63.45 C ATOM 550 O VAL A 35 4.918 5.633 3.840 1.00 14.43 O ATOM 551 CB VAL A 35 3.634 4.116 6.520 1.00 33.41 C ATOM 552 CG1 VAL A 35 4.012 5.524 6.952 1.00 52.11 C ATOM 553 CG2 VAL A 35 2.316 3.691 7.151 1.00 63.33 C ATOM 0 H VAL A 35 3.060 2.012 5.303 1.00 14.44 H new ATOM 0 HA VAL A 35 2.728 4.651 4.635 1.00 70.31 H new ATOM 0 HB VAL A 35 4.412 3.435 6.865 1.00 33.41 H new ATOM 0 HG11 VAL A 35 4.067 5.569 8.040 1.00 52.11 H new ATOM 0 HG12 VAL A 35 4.982 5.786 6.529 1.00 52.11 H new ATOM 0 HG13 VAL A 35 3.259 6.228 6.597 1.00 52.11 H new ATOM 0 HG21 VAL A 35 2.393 3.761 8.236 1.00 63.33 H new ATOM 0 HG22 VAL A 35 1.517 4.345 6.801 1.00 63.33 H new ATOM 0 HG23 VAL A 35 2.092 2.662 6.868 1.00 63.33 H new ATOM 563 N TRP A 36 5.902 3.716 4.487 1.00 32.21 N ATOM 564 CA TRP A 36 7.210 4.080 3.953 1.00 14.41 C ATOM 565 C TRP A 36 7.102 4.510 2.495 1.00 71.33 C ATOM 566 O TRP A 36 7.916 5.293 2.007 1.00 44.10 O ATOM 567 CB TRP A 36 8.181 2.905 4.082 1.00 53.43 C ATOM 568 CG TRP A 36 9.501 3.151 3.418 1.00 74.53 C ATOM 569 CD1 TRP A 36 10.669 3.515 4.024 1.00 22.12 C ATOM 570 CD2 TRP A 36 9.787 3.052 2.018 1.00 24.24 C ATOM 571 NE1 TRP A 36 11.665 3.648 3.086 1.00 32.22 N ATOM 572 CE2 TRP A 36 11.149 3.368 1.848 1.00 1.21 C ATOM 573 CE3 TRP A 36 9.027 2.724 0.892 1.00 31.23 C ATOM 574 CZ2 TRP A 36 11.763 3.368 0.598 1.00 64.11 C ATOM 575 CZ3 TRP A 36 9.637 2.724 -0.347 1.00 65.31 C ATOM 576 CH2 TRP A 36 10.995 3.043 -0.486 1.00 54.40 C ATOM 0 H TRP A 36 5.869 2.800 4.934 1.00 32.21 H new ATOM 0 HA TRP A 36 7.591 4.921 4.532 1.00 14.41 H new ATOM 0 HB2 TRP A 36 8.347 2.695 5.138 1.00 53.43 H new ATOM 0 HB3 TRP A 36 7.724 2.016 3.648 1.00 53.43 H new ATOM 0 HD1 TRP A 36 10.792 3.675 5.085 1.00 22.12 H new ATOM 0 HE1 TRP A 36 12.631 3.912 3.280 1.00 32.22 H new ATOM 0 HE3 TRP A 36 7.981 2.475 0.989 1.00 31.23 H new ATOM 0 HZ2 TRP A 36 12.808 3.616 0.489 1.00 64.11 H new ATOM 0 HZ3 TRP A 36 9.058 2.474 -1.224 1.00 65.31 H new ATOM 0 HH2 TRP A 36 11.444 3.032 -1.468 1.00 54.40 H new ATOM 587 N ALA A 37 6.092 3.992 1.802 1.00 3.04 N ATOM 588 CA ALA A 37 5.878 4.324 0.399 1.00 34.33 C ATOM 589 C ALA A 37 5.174 5.669 0.255 1.00 23.32 C ATOM 590 O ALA A 37 5.607 6.527 -0.514 1.00 53.13 O ATOM 591 CB ALA A 37 5.074 3.229 -0.285 1.00 14.22 C ATOM 0 H ALA A 37 5.410 3.341 2.190 1.00 3.04 H new ATOM 0 HA ALA A 37 6.852 4.400 -0.084 1.00 34.33 H new ATOM 0 HB1 ALA A 37 4.921 3.490 -1.332 1.00 14.22 H new ATOM 0 HB2 ALA A 37 5.616 2.286 -0.221 1.00 14.22 H new ATOM 0 HB3 ALA A 37 4.107 3.126 0.208 1.00 14.22 H new ATOM 597 N SER A 38 4.088 5.847 1.001 1.00 61.12 N ATOM 598 CA SER A 38 3.322 7.086 0.951 1.00 31.04 C ATOM 599 C SER A 38 4.162 8.263 1.440 1.00 72.14 C ATOM 600 O SER A 38 4.144 9.341 0.846 1.00 50.04 O ATOM 601 CB SER A 38 2.055 6.962 1.801 1.00 5.11 C ATOM 602 OG SER A 38 1.220 8.095 1.640 1.00 51.05 O ATOM 0 H SER A 38 3.719 5.149 1.647 1.00 61.12 H new ATOM 0 HA SER A 38 3.039 7.268 -0.086 1.00 31.04 H new ATOM 0 HB2 SER A 38 1.510 6.062 1.518 1.00 5.11 H new ATOM 0 HB3 SER A 38 2.327 6.853 2.851 1.00 5.11 H new ATOM 0 HG SER A 38 0.622 8.173 2.413 1.00 51.05 H new ATOM 608 N ARG A 39 4.896 8.047 2.526 1.00 41.40 N ATOM 609 CA ARG A 39 5.742 9.090 3.096 1.00 72.12 C ATOM 610 C ARG A 39 6.846 9.487 2.121 1.00 22.24 C ATOM 611 O ARG A 39 7.399 10.583 2.209 1.00 72.11 O ATOM 612 CB ARG A 39 6.356 8.613 4.413 1.00 5.43 C ATOM 613 CG ARG A 39 7.128 9.695 5.152 1.00 73.11 C ATOM 614 CD ARG A 39 8.016 9.105 6.236 1.00 2.41 C ATOM 615 NE ARG A 39 7.263 8.262 7.161 1.00 4.43 N ATOM 616 CZ ARG A 39 7.831 7.493 8.084 1.00 42.52 C ATOM 617 NH1 ARG A 39 9.152 7.463 8.204 1.00 54.23 N ATOM 618 NH2 ARG A 39 7.080 6.755 8.889 1.00 15.21 N ATOM 0 H ARG A 39 4.923 7.160 3.029 1.00 41.40 H new ATOM 0 HA ARG A 39 5.120 9.964 3.288 1.00 72.12 H new ATOM 0 HB2 ARG A 39 5.562 8.239 5.060 1.00 5.43 H new ATOM 0 HB3 ARG A 39 7.024 7.776 4.211 1.00 5.43 H new ATOM 0 HG2 ARG A 39 7.739 10.255 4.444 1.00 73.11 H new ATOM 0 HG3 ARG A 39 6.429 10.402 5.598 1.00 73.11 H new ATOM 0 HD2 ARG A 39 8.810 8.518 5.775 1.00 2.41 H new ATOM 0 HD3 ARG A 39 8.497 9.911 6.790 1.00 2.41 H new ATOM 0 HE ARG A 39 6.245 8.264 7.095 1.00 4.43 H new ATOM 0 HH11 ARG A 39 9.733 8.031 7.587 1.00 54.23 H new ATOM 0 HH12 ARG A 39 9.586 6.872 8.913 1.00 54.23 H new ATOM 0 HH21 ARG A 39 6.064 6.777 8.801 1.00 15.21 H new ATOM 0 HH22 ARG A 39 7.518 6.165 9.597 1.00 15.21 H new ATOM 632 N GLU A 40 7.161 8.589 1.193 1.00 62.24 N ATOM 633 CA GLU A 40 8.200 8.846 0.203 1.00 42.41 C ATOM 634 C GLU A 40 7.636 9.609 -0.992 1.00 53.41 C ATOM 635 O GLU A 40 8.326 10.428 -1.602 1.00 71.42 O ATOM 636 CB GLU A 40 8.826 7.532 -0.267 1.00 74.32 C ATOM 637 CG GLU A 40 10.259 7.676 -0.748 1.00 44.55 C ATOM 638 CD GLU A 40 11.213 6.739 -0.033 1.00 73.01 C ATOM 639 OE1 GLU A 40 11.249 6.769 1.215 1.00 2.32 O ATOM 640 OE2 GLU A 40 11.922 5.975 -0.721 1.00 41.13 O ATOM 0 H GLU A 40 6.712 7.677 1.106 1.00 62.24 H new ATOM 0 HA GLU A 40 8.969 9.458 0.673 1.00 42.41 H new ATOM 0 HB2 GLU A 40 8.797 6.813 0.552 1.00 74.32 H new ATOM 0 HB3 GLU A 40 8.221 7.120 -1.074 1.00 74.32 H new ATOM 0 HG2 GLU A 40 10.300 7.481 -1.820 1.00 44.55 H new ATOM 0 HG3 GLU A 40 10.586 8.705 -0.599 1.00 44.55 H new ATOM 647 N LEU A 41 6.378 9.336 -1.321 1.00 44.41 N ATOM 648 CA LEU A 41 5.720 9.996 -2.443 1.00 62.13 C ATOM 649 C LEU A 41 5.583 11.493 -2.190 1.00 42.44 C ATOM 650 O LEU A 41 5.694 12.301 -3.112 1.00 72.41 O ATOM 651 CB LEU A 41 4.341 9.380 -2.685 1.00 33.23 C ATOM 652 CG LEU A 41 4.282 8.247 -3.710 1.00 62.24 C ATOM 653 CD1 LEU A 41 2.852 7.762 -3.888 1.00 14.11 C ATOM 654 CD2 LEU A 41 4.861 8.703 -5.042 1.00 62.31 C ATOM 0 H LEU A 41 5.793 8.662 -0.827 1.00 44.41 H new ATOM 0 HA LEU A 41 6.337 9.851 -3.330 1.00 62.13 H new ATOM 0 HB2 LEU A 41 3.962 9.004 -1.735 1.00 33.23 H new ATOM 0 HB3 LEU A 41 3.664 10.171 -3.008 1.00 33.23 H new ATOM 0 HG LEU A 41 4.883 7.416 -3.340 1.00 62.24 H new ATOM 0 HD11 LEU A 41 2.830 6.956 -4.621 1.00 14.11 H new ATOM 0 HD12 LEU A 41 2.471 7.396 -2.935 1.00 14.11 H new ATOM 0 HD13 LEU A 41 2.229 8.586 -4.236 1.00 14.11 H new ATOM 0 HD21 LEU A 41 4.811 7.884 -5.760 1.00 62.31 H new ATOM 0 HD22 LEU A 41 4.287 9.550 -5.417 1.00 62.31 H new ATOM 0 HD23 LEU A 41 5.900 9.002 -4.904 1.00 62.31 H new ATOM 666 N GLU A 42 5.344 11.858 -0.934 1.00 71.31 N ATOM 667 CA GLU A 42 5.194 13.259 -0.560 1.00 61.25 C ATOM 668 C GLU A 42 6.481 14.034 -0.828 1.00 72.44 C ATOM 669 O GLU A 42 6.449 15.154 -1.338 1.00 72.45 O ATOM 670 CB GLU A 42 4.812 13.377 0.917 1.00 42.42 C ATOM 671 CG GLU A 42 4.207 14.723 1.282 1.00 74.34 C ATOM 672 CD GLU A 42 5.226 15.683 1.862 1.00 42.03 C ATOM 673 OE1 GLU A 42 5.733 15.414 2.971 1.00 72.35 O ATOM 674 OE2 GLU A 42 5.517 16.706 1.205 1.00 30.34 O ATOM 0 H GLU A 42 5.250 11.202 -0.158 1.00 71.31 H new ATOM 0 HA GLU A 42 4.398 13.689 -1.169 1.00 61.25 H new ATOM 0 HB2 GLU A 42 4.101 12.589 1.164 1.00 42.42 H new ATOM 0 HB3 GLU A 42 5.699 13.209 1.528 1.00 42.42 H new ATOM 0 HG2 GLU A 42 3.759 15.168 0.394 1.00 74.34 H new ATOM 0 HG3 GLU A 42 3.404 14.572 2.003 1.00 74.34 H new ATOM 681 N ARG A 43 7.612 13.430 -0.479 1.00 51.41 N ATOM 682 CA ARG A 43 8.910 14.063 -0.680 1.00 53.25 C ATOM 683 C ARG A 43 9.322 14.005 -2.148 1.00 33.33 C ATOM 684 O ARG A 43 9.929 14.940 -2.671 1.00 53.35 O ATOM 685 CB ARG A 43 9.972 13.384 0.187 1.00 44.11 C ATOM 686 CG ARG A 43 11.337 14.049 0.109 1.00 70.02 C ATOM 687 CD ARG A 43 12.336 13.184 -0.645 1.00 13.54 C ATOM 688 NE ARG A 43 13.176 13.975 -1.541 1.00 33.34 N ATOM 689 CZ ARG A 43 13.839 13.460 -2.570 1.00 2.10 C ATOM 690 NH1 ARG A 43 13.760 12.163 -2.833 1.00 32.43 N ATOM 691 NH2 ARG A 43 14.583 14.244 -3.340 1.00 60.03 N ATOM 0 H ARG A 43 7.656 12.503 -0.056 1.00 51.41 H new ATOM 0 HA ARG A 43 8.826 15.109 -0.386 1.00 53.25 H new ATOM 0 HB2 ARG A 43 9.636 13.383 1.224 1.00 44.11 H new ATOM 0 HB3 ARG A 43 10.067 12.342 -0.118 1.00 44.11 H new ATOM 0 HG2 ARG A 43 11.244 15.016 -0.386 1.00 70.02 H new ATOM 0 HG3 ARG A 43 11.707 14.241 1.116 1.00 70.02 H new ATOM 0 HD2 ARG A 43 12.966 12.652 0.068 1.00 13.54 H new ATOM 0 HD3 ARG A 43 11.800 12.430 -1.221 1.00 13.54 H new ATOM 0 HE ARG A 43 13.258 14.977 -1.367 1.00 33.34 H new ATOM 0 HH11 ARG A 43 13.189 11.557 -2.244 1.00 32.43 H new ATOM 0 HH12 ARG A 43 14.271 11.771 -3.624 1.00 32.43 H new ATOM 0 HH21 ARG A 43 14.646 15.243 -3.142 1.00 60.03 H new ATOM 0 HH22 ARG A 43 15.092 13.848 -4.130 1.00 60.03 H new ATOM 705 N PHE A 44 8.990 12.901 -2.808 1.00 33.43 N ATOM 706 CA PHE A 44 9.326 12.719 -4.215 1.00 22.14 C ATOM 707 C PHE A 44 8.660 13.788 -5.076 1.00 33.22 C ATOM 708 O PHE A 44 9.045 14.005 -6.224 1.00 20.44 O ATOM 709 CB PHE A 44 8.900 11.328 -4.687 1.00 73.33 C ATOM 710 CG PHE A 44 10.055 10.430 -5.028 1.00 51.43 C ATOM 711 CD1 PHE A 44 10.959 10.787 -6.015 1.00 45.02 C ATOM 712 CD2 PHE A 44 10.236 9.229 -4.361 1.00 41.24 C ATOM 713 CE1 PHE A 44 12.023 9.963 -6.331 1.00 41.42 C ATOM 714 CE2 PHE A 44 11.298 8.402 -4.672 1.00 5.13 C ATOM 715 CZ PHE A 44 12.192 8.768 -5.659 1.00 44.41 C ATOM 0 H PHE A 44 8.488 12.118 -2.390 1.00 33.43 H new ATOM 0 HA PHE A 44 10.407 12.815 -4.320 1.00 22.14 H new ATOM 0 HB2 PHE A 44 8.301 10.856 -3.908 1.00 73.33 H new ATOM 0 HB3 PHE A 44 8.259 11.431 -5.563 1.00 73.33 H new ATOM 0 HD1 PHE A 44 10.831 11.720 -6.544 1.00 45.02 H new ATOM 0 HD2 PHE A 44 9.539 8.936 -3.590 1.00 41.24 H new ATOM 0 HE1 PHE A 44 12.721 10.253 -7.102 1.00 41.42 H new ATOM 0 HE2 PHE A 44 11.429 7.469 -4.143 1.00 5.13 H new ATOM 0 HZ PHE A 44 13.021 8.121 -5.905 1.00 44.41 H new ATOM 725 N ALA A 45 7.657 14.452 -4.512 1.00 14.53 N ATOM 726 CA ALA A 45 6.936 15.500 -5.226 1.00 4.23 C ATOM 727 C ALA A 45 5.806 14.915 -6.066 1.00 23.44 C ATOM 728 O ALA A 45 5.189 15.615 -6.867 1.00 75.04 O ATOM 729 CB ALA A 45 7.893 16.294 -6.103 1.00 22.51 C ATOM 0 H ALA A 45 7.325 14.283 -3.563 1.00 14.53 H new ATOM 0 HA ALA A 45 6.494 16.171 -4.489 1.00 4.23 H new ATOM 0 HB1 ALA A 45 7.342 17.073 -6.630 1.00 22.51 H new ATOM 0 HB2 ALA A 45 8.662 16.751 -5.481 1.00 22.51 H new ATOM 0 HB3 ALA A 45 8.361 15.627 -6.827 1.00 22.51 H new ATOM 735 N VAL A 46 5.543 13.625 -5.878 1.00 35.35 N ATOM 736 CA VAL A 46 4.487 12.945 -6.618 1.00 51.31 C ATOM 737 C VAL A 46 3.238 12.772 -5.761 1.00 52.53 C ATOM 738 O VAL A 46 3.322 12.396 -4.592 1.00 43.21 O ATOM 739 CB VAL A 46 4.950 11.563 -7.116 1.00 20.21 C ATOM 740 CG1 VAL A 46 3.757 10.722 -7.543 1.00 24.52 C ATOM 741 CG2 VAL A 46 5.944 11.714 -8.258 1.00 73.21 C ATOM 0 H VAL A 46 6.047 13.031 -5.220 1.00 35.35 H new ATOM 0 HA VAL A 46 4.250 13.572 -7.478 1.00 51.31 H new ATOM 0 HB VAL A 46 5.450 11.049 -6.295 1.00 20.21 H new ATOM 0 HG11 VAL A 46 4.104 9.749 -7.892 1.00 24.52 H new ATOM 0 HG12 VAL A 46 3.086 10.585 -6.695 1.00 24.52 H new ATOM 0 HG13 VAL A 46 3.225 11.228 -8.349 1.00 24.52 H new ATOM 0 HG21 VAL A 46 6.261 10.728 -8.598 1.00 73.21 H new ATOM 0 HG22 VAL A 46 5.472 12.248 -9.083 1.00 73.21 H new ATOM 0 HG23 VAL A 46 6.812 12.275 -7.913 1.00 73.21 H new ATOM 751 N ASN A 47 2.079 13.048 -6.350 1.00 50.41 N ATOM 752 CA ASN A 47 0.811 12.924 -5.640 1.00 42.11 C ATOM 753 C ASN A 47 0.687 11.551 -4.987 1.00 60.33 C ATOM 754 O ASN A 47 0.720 10.515 -5.653 1.00 21.41 O ATOM 755 CB ASN A 47 -0.358 13.154 -6.598 1.00 52.13 C ATOM 756 CG ASN A 47 -0.663 14.626 -6.797 1.00 3.53 C ATOM 757 OD1 ASN A 47 -0.077 15.283 -7.658 1.00 62.32 O ATOM 758 ND2 ASN A 47 -1.582 15.153 -5.996 1.00 54.31 N ATOM 0 H ASN A 47 1.992 13.359 -7.317 1.00 50.41 H new ATOM 0 HA ASN A 47 0.784 13.683 -4.858 1.00 42.11 H new ATOM 0 HB2 ASN A 47 -0.129 12.700 -7.562 1.00 52.13 H new ATOM 0 HB3 ASN A 47 -1.245 12.651 -6.212 1.00 52.13 H new ATOM 0 HD21 ASN A 47 -1.827 16.139 -6.081 1.00 54.31 H new ATOM 0 HD22 ASN A 47 -2.043 14.571 -5.296 1.00 54.31 H new ATOM 765 N PRO A 48 0.539 11.540 -3.655 1.00 13.44 N ATOM 766 CA PRO A 48 0.405 10.301 -2.883 1.00 72.21 C ATOM 767 C PRO A 48 -0.928 9.603 -3.134 1.00 72.25 C ATOM 768 O PRO A 48 -1.151 8.486 -2.670 1.00 72.15 O ATOM 769 CB PRO A 48 0.493 10.776 -1.430 1.00 51.54 C ATOM 770 CG PRO A 48 0.043 12.195 -1.469 1.00 14.51 C ATOM 771 CD PRO A 48 0.490 12.736 -2.798 1.00 2.42 C ATOM 0 HA PRO A 48 1.166 9.569 -3.153 1.00 72.21 H new ATOM 0 HB2 PRO A 48 -0.143 10.177 -0.778 1.00 51.54 H new ATOM 0 HB3 PRO A 48 1.510 10.693 -1.047 1.00 51.54 H new ATOM 0 HG2 PRO A 48 -1.040 12.264 -1.364 1.00 14.51 H new ATOM 0 HG3 PRO A 48 0.479 12.765 -0.649 1.00 14.51 H new ATOM 0 HD2 PRO A 48 -0.208 13.479 -3.185 1.00 2.42 H new ATOM 0 HD3 PRO A 48 1.464 13.220 -2.728 1.00 2.42 H new ATOM 779 N GLY A 49 -1.810 10.269 -3.874 1.00 25.15 N ATOM 780 CA GLY A 49 -3.109 9.696 -4.174 1.00 41.22 C ATOM 781 C GLY A 49 -3.030 8.591 -5.208 1.00 22.23 C ATOM 782 O GLY A 49 -3.978 7.823 -5.381 1.00 20.15 O ATOM 0 H GLY A 49 -1.648 11.195 -4.271 1.00 25.15 H new ATOM 0 HA2 GLY A 49 -3.549 9.302 -3.258 1.00 41.22 H new ATOM 0 HA3 GLY A 49 -3.774 10.480 -4.535 1.00 41.22 H new ATOM 786 N LEU A 50 -1.898 8.510 -5.899 1.00 34.21 N ATOM 787 CA LEU A 50 -1.699 7.491 -6.924 1.00 72.43 C ATOM 788 C LEU A 50 -1.712 6.093 -6.312 1.00 44.14 C ATOM 789 O LEU A 50 -1.907 5.099 -7.013 1.00 10.32 O ATOM 790 CB LEU A 50 -0.378 7.728 -7.657 1.00 15.10 C ATOM 791 CG LEU A 50 -0.195 9.112 -8.282 1.00 33.25 C ATOM 792 CD1 LEU A 50 1.241 9.304 -8.743 1.00 33.15 C ATOM 793 CD2 LEU A 50 -1.160 9.303 -9.443 1.00 54.51 C ATOM 0 H LEU A 50 -1.104 9.137 -5.768 1.00 34.21 H new ATOM 0 HA LEU A 50 -2.520 7.563 -7.637 1.00 72.43 H new ATOM 0 HB2 LEU A 50 0.439 7.557 -6.956 1.00 15.10 H new ATOM 0 HB3 LEU A 50 -0.284 6.980 -8.445 1.00 15.10 H new ATOM 0 HG LEU A 50 -0.415 9.864 -7.524 1.00 33.25 H new ATOM 0 HD11 LEU A 50 1.352 10.294 -9.185 1.00 33.15 H new ATOM 0 HD12 LEU A 50 1.913 9.210 -7.890 1.00 33.15 H new ATOM 0 HD13 LEU A 50 1.489 8.546 -9.485 1.00 33.15 H new ATOM 0 HD21 LEU A 50 -1.017 10.293 -9.876 1.00 54.51 H new ATOM 0 HD22 LEU A 50 -0.971 8.544 -10.202 1.00 54.51 H new ATOM 0 HD23 LEU A 50 -2.185 9.209 -9.084 1.00 54.51 H new ATOM 805 N LEU A 51 -1.504 6.025 -5.002 1.00 22.04 N ATOM 806 CA LEU A 51 -1.493 4.750 -4.294 1.00 52.11 C ATOM 807 C LEU A 51 -2.884 4.405 -3.773 1.00 73.41 C ATOM 808 O LEU A 51 -3.162 3.255 -3.433 1.00 24.32 O ATOM 809 CB LEU A 51 -0.499 4.796 -3.134 1.00 2.54 C ATOM 810 CG LEU A 51 0.959 5.066 -3.509 1.00 45.11 C ATOM 811 CD1 LEU A 51 1.807 5.251 -2.259 1.00 52.12 C ATOM 812 CD2 LEU A 51 1.508 3.933 -4.364 1.00 40.32 C ATOM 0 H LEU A 51 -1.341 6.838 -4.408 1.00 22.04 H new ATOM 0 HA LEU A 51 -1.185 3.976 -4.997 1.00 52.11 H new ATOM 0 HB2 LEU A 51 -0.822 5.568 -2.435 1.00 2.54 H new ATOM 0 HB3 LEU A 51 -0.547 3.845 -2.603 1.00 2.54 H new ATOM 0 HG LEU A 51 1.000 5.987 -4.091 1.00 45.11 H new ATOM 0 HD11 LEU A 51 2.841 5.442 -2.546 1.00 52.12 H new ATOM 0 HD12 LEU A 51 1.428 6.096 -1.684 1.00 52.12 H new ATOM 0 HD13 LEU A 51 1.760 4.348 -1.651 1.00 52.12 H new ATOM 0 HD21 LEU A 51 2.546 4.142 -4.622 1.00 40.32 H new ATOM 0 HD22 LEU A 51 1.453 2.998 -3.807 1.00 40.32 H new ATOM 0 HD23 LEU A 51 0.918 3.847 -5.277 1.00 40.32 H new ATOM 824 N GLU A 52 -3.755 5.407 -3.717 1.00 72.04 N ATOM 825 CA GLU A 52 -5.119 5.207 -3.239 1.00 44.12 C ATOM 826 C GLU A 52 -5.913 4.335 -4.208 1.00 14.55 C ATOM 827 O GLU A 52 -6.762 3.544 -3.796 1.00 20.45 O ATOM 828 CB GLU A 52 -5.820 6.554 -3.055 1.00 53.54 C ATOM 829 CG GLU A 52 -7.274 6.430 -2.631 1.00 41.33 C ATOM 830 CD GLU A 52 -7.752 7.626 -1.829 1.00 43.42 C ATOM 831 OE1 GLU A 52 -7.441 8.769 -2.225 1.00 30.21 O ATOM 832 OE2 GLU A 52 -8.437 7.418 -0.806 1.00 31.32 O ATOM 0 H GLU A 52 -3.542 6.365 -3.996 1.00 72.04 H new ATOM 0 HA GLU A 52 -5.069 4.697 -2.277 1.00 44.12 H new ATOM 0 HB2 GLU A 52 -5.281 7.136 -2.308 1.00 53.54 H new ATOM 0 HB3 GLU A 52 -5.769 7.111 -3.990 1.00 53.54 H new ATOM 0 HG2 GLU A 52 -7.899 6.318 -3.517 1.00 41.33 H new ATOM 0 HG3 GLU A 52 -7.399 5.525 -2.037 1.00 41.33 H new ATOM 839 N THR A 53 -5.631 4.487 -5.498 1.00 34.10 N ATOM 840 CA THR A 53 -6.319 3.716 -6.526 1.00 74.20 C ATOM 841 C THR A 53 -5.333 2.902 -7.355 1.00 63.11 C ATOM 842 O THR A 53 -4.202 3.330 -7.588 1.00 22.31 O ATOM 843 CB THR A 53 -7.131 4.628 -7.464 1.00 2.31 C ATOM 844 OG1 THR A 53 -6.303 5.084 -8.540 1.00 11.54 O ATOM 845 CG2 THR A 53 -7.691 5.822 -6.707 1.00 2.44 C ATOM 0 H THR A 53 -4.931 5.137 -5.856 1.00 34.10 H new ATOM 0 HA THR A 53 -7.001 3.040 -6.010 1.00 74.20 H new ATOM 0 HB THR A 53 -7.964 4.051 -7.866 1.00 2.31 H new ATOM 0 HG1 THR A 53 -6.827 5.662 -9.133 1.00 11.54 H new ATOM 0 HG21 THR A 53 -8.261 6.452 -7.391 1.00 2.44 H new ATOM 0 HG22 THR A 53 -8.343 5.472 -5.907 1.00 2.44 H new ATOM 0 HG23 THR A 53 -6.871 6.399 -6.280 1.00 2.44 H new ATOM 853 N SER A 54 -5.768 1.727 -7.799 1.00 24.41 N ATOM 854 CA SER A 54 -4.921 0.851 -8.601 1.00 25.15 C ATOM 855 C SER A 54 -4.431 1.569 -9.855 1.00 35.42 C ATOM 856 O SER A 54 -3.306 1.357 -10.304 1.00 3.35 O ATOM 857 CB SER A 54 -5.685 -0.416 -8.989 1.00 61.33 C ATOM 858 OG SER A 54 -6.121 -0.356 -10.336 1.00 52.42 O ATOM 0 H SER A 54 -6.702 1.359 -7.617 1.00 24.41 H new ATOM 0 HA SER A 54 -4.054 0.574 -8.001 1.00 25.15 H new ATOM 0 HB2 SER A 54 -5.045 -1.287 -8.849 1.00 61.33 H new ATOM 0 HB3 SER A 54 -6.544 -0.542 -8.331 1.00 61.33 H new ATOM 0 HG SER A 54 -6.605 -1.178 -10.560 1.00 52.42 H new ATOM 864 N GLU A 55 -5.288 2.417 -10.416 1.00 1.22 N ATOM 865 CA GLU A 55 -4.942 3.166 -11.619 1.00 33.01 C ATOM 866 C GLU A 55 -3.776 4.113 -11.355 1.00 50.10 C ATOM 867 O GLU A 55 -2.890 4.273 -12.193 1.00 53.33 O ATOM 868 CB GLU A 55 -6.154 3.957 -12.119 1.00 24.33 C ATOM 869 CG GLU A 55 -5.886 4.736 -13.396 1.00 30.42 C ATOM 870 CD GLU A 55 -7.035 4.649 -14.383 1.00 23.41 C ATOM 871 OE1 GLU A 55 -7.423 3.517 -14.743 1.00 11.43 O ATOM 872 OE2 GLU A 55 -7.544 5.711 -14.796 1.00 45.31 O ATOM 0 H GLU A 55 -6.225 2.602 -10.058 1.00 1.22 H new ATOM 0 HA GLU A 55 -4.640 2.453 -12.386 1.00 33.01 H new ATOM 0 HB2 GLU A 55 -6.982 3.269 -12.290 1.00 24.33 H new ATOM 0 HB3 GLU A 55 -6.472 4.650 -11.340 1.00 24.33 H new ATOM 0 HG2 GLU A 55 -5.703 5.782 -13.148 1.00 30.42 H new ATOM 0 HG3 GLU A 55 -4.979 4.356 -13.866 1.00 30.42 H new ATOM 879 N GLY A 56 -3.784 4.740 -10.183 1.00 31.14 N ATOM 880 CA GLY A 56 -2.723 5.665 -9.828 1.00 71.34 C ATOM 881 C GLY A 56 -1.352 5.022 -9.886 1.00 45.40 C ATOM 882 O GLY A 56 -0.405 5.610 -10.412 1.00 31.10 O ATOM 0 H GLY A 56 -4.507 4.624 -9.472 1.00 31.14 H new ATOM 0 HA2 GLY A 56 -2.749 6.520 -10.504 1.00 71.34 H new ATOM 0 HA3 GLY A 56 -2.900 6.048 -8.823 1.00 71.34 H new ATOM 886 N CYS A 57 -1.242 3.815 -9.344 1.00 70.31 N ATOM 887 CA CYS A 57 0.025 3.093 -9.334 1.00 5.34 C ATOM 888 C CYS A 57 0.530 2.860 -10.754 1.00 64.23 C ATOM 889 O CYS A 57 1.691 3.127 -11.063 1.00 63.34 O ATOM 890 CB CYS A 57 -0.131 1.756 -8.609 1.00 65.34 C ATOM 891 SG CYS A 57 -0.893 1.886 -6.975 1.00 21.21 S ATOM 0 H CYS A 57 -2.015 3.315 -8.905 1.00 70.31 H new ATOM 0 HA CYS A 57 0.757 3.702 -8.803 1.00 5.34 H new ATOM 0 HB2 CYS A 57 -0.732 1.088 -9.226 1.00 65.34 H new ATOM 0 HB3 CYS A 57 0.851 1.295 -8.504 1.00 65.34 H new ATOM 0 HG CYS A 57 -1.499 3.031 -6.869 1.00 21.21 H new ATOM 897 N ARG A 58 -0.351 2.360 -11.615 1.00 72.11 N ATOM 898 CA ARG A 58 0.005 2.088 -13.002 1.00 22.23 C ATOM 899 C ARG A 58 0.756 3.268 -13.612 1.00 10.10 C ATOM 900 O ARG A 58 1.635 3.088 -14.454 1.00 62.14 O ATOM 901 CB ARG A 58 -1.249 1.788 -13.824 1.00 53.03 C ATOM 902 CG ARG A 58 -1.301 0.367 -14.361 1.00 25.42 C ATOM 903 CD ARG A 58 -1.050 0.328 -15.860 1.00 52.34 C ATOM 904 NE ARG A 58 -2.276 0.545 -16.625 1.00 2.44 N ATOM 905 CZ ARG A 58 -2.313 0.607 -17.951 1.00 75.43 C ATOM 906 NH1 ARG A 58 -1.199 0.468 -18.657 1.00 2.33 N ATOM 907 NH2 ARG A 58 -3.467 0.806 -18.575 1.00 40.12 N ATOM 0 H ARG A 58 -1.317 2.135 -11.376 1.00 72.11 H new ATOM 0 HA ARG A 58 0.658 1.216 -13.018 1.00 22.23 H new ATOM 0 HB2 ARG A 58 -2.129 1.966 -13.206 1.00 53.03 H new ATOM 0 HB3 ARG A 58 -1.300 2.485 -14.660 1.00 53.03 H new ATOM 0 HG2 ARG A 58 -0.556 -0.243 -13.850 1.00 25.42 H new ATOM 0 HG3 ARG A 58 -2.275 -0.070 -14.143 1.00 25.42 H new ATOM 0 HD2 ARG A 58 -0.317 1.090 -16.125 1.00 52.34 H new ATOM 0 HD3 ARG A 58 -0.619 -0.636 -16.131 1.00 52.34 H new ATOM 0 HE ARG A 58 -3.151 0.655 -16.113 1.00 2.44 H new ATOM 0 HH11 ARG A 58 -0.310 0.313 -18.182 1.00 2.33 H new ATOM 0 HH12 ARG A 58 -1.231 0.516 -19.675 1.00 2.33 H new ATOM 0 HH21 ARG A 58 -4.327 0.912 -18.036 1.00 40.12 H new ATOM 0 HH22 ARG A 58 -3.494 0.854 -19.594 1.00 40.12 H new ATOM 921 N GLN A 59 0.403 4.474 -13.180 1.00 12.41 N ATOM 922 CA GLN A 59 1.042 5.684 -13.685 1.00 30.11 C ATOM 923 C GLN A 59 2.414 5.880 -13.049 1.00 1.11 C ATOM 924 O GLN A 59 3.370 6.268 -13.721 1.00 60.04 O ATOM 925 CB GLN A 59 0.160 6.904 -13.411 1.00 64.44 C ATOM 926 CG GLN A 59 -0.618 7.376 -14.628 1.00 51.03 C ATOM 927 CD GLN A 59 0.087 8.489 -15.377 1.00 44.32 C ATOM 928 OE1 GLN A 59 1.266 8.376 -15.715 1.00 4.23 O ATOM 929 NE2 GLN A 59 -0.631 9.574 -15.642 1.00 52.12 N ATOM 0 H GLN A 59 -0.322 4.640 -12.482 1.00 12.41 H new ATOM 0 HA GLN A 59 1.173 5.574 -14.761 1.00 30.11 H new ATOM 0 HB2 GLN A 59 -0.542 6.663 -12.612 1.00 64.44 H new ATOM 0 HB3 GLN A 59 0.785 7.721 -13.050 1.00 64.44 H new ATOM 0 HG2 GLN A 59 -0.777 6.534 -15.302 1.00 51.03 H new ATOM 0 HG3 GLN A 59 -1.602 7.722 -14.313 1.00 51.03 H new ATOM 0 HE21 GLN A 59 -1.605 9.626 -15.344 1.00 52.12 H new ATOM 0 HE22 GLN A 59 -0.209 10.355 -16.144 1.00 52.12 H new ATOM 938 N ILE A 60 2.503 5.611 -11.751 1.00 65.44 N ATOM 939 CA ILE A 60 3.759 5.757 -11.026 1.00 34.43 C ATOM 940 C ILE A 60 4.857 4.902 -11.648 1.00 14.21 C ATOM 941 O ILE A 60 5.925 5.404 -12.001 1.00 75.42 O ATOM 942 CB ILE A 60 3.601 5.370 -9.543 1.00 30.41 C ATOM 943 CG1 ILE A 60 2.478 6.185 -8.897 1.00 73.41 C ATOM 944 CG2 ILE A 60 4.911 5.580 -8.799 1.00 31.44 C ATOM 945 CD1 ILE A 60 1.995 5.613 -7.583 1.00 61.44 C ATOM 0 H ILE A 60 1.721 5.291 -11.180 1.00 65.44 H new ATOM 0 HA ILE A 60 4.040 6.808 -11.092 1.00 34.43 H new ATOM 0 HB ILE A 60 3.337 4.314 -9.484 1.00 30.41 H new ATOM 0 HG12 ILE A 60 2.828 7.204 -8.734 1.00 73.41 H new ATOM 0 HG13 ILE A 60 1.638 6.243 -9.589 1.00 73.41 H new ATOM 0 HG21 ILE A 60 4.784 5.302 -7.753 1.00 31.44 H new ATOM 0 HG22 ILE A 60 5.687 4.960 -9.247 1.00 31.44 H new ATOM 0 HG23 ILE A 60 5.202 6.628 -8.863 1.00 31.44 H new ATOM 0 HD11 ILE A 60 1.199 6.242 -7.183 1.00 61.44 H new ATOM 0 HD12 ILE A 60 1.614 4.604 -7.743 1.00 61.44 H new ATOM 0 HD13 ILE A 60 2.823 5.580 -6.874 1.00 61.44 H new ATOM 957 N LEU A 61 4.586 3.608 -11.782 1.00 61.35 N ATOM 958 CA LEU A 61 5.551 2.682 -12.365 1.00 62.24 C ATOM 959 C LEU A 61 6.075 3.207 -13.698 1.00 1.43 C ATOM 960 O LEU A 61 7.221 2.957 -14.068 1.00 5.44 O ATOM 961 CB LEU A 61 4.912 1.306 -12.563 1.00 73.24 C ATOM 962 CG LEU A 61 4.362 0.634 -11.304 1.00 64.22 C ATOM 963 CD1 LEU A 61 3.215 -0.301 -11.656 1.00 21.21 C ATOM 964 CD2 LEU A 61 5.466 -0.122 -10.579 1.00 14.35 C ATOM 0 H LEU A 61 3.707 3.177 -11.495 1.00 61.35 H new ATOM 0 HA LEU A 61 6.391 2.591 -11.676 1.00 62.24 H new ATOM 0 HB2 LEU A 61 4.099 1.405 -13.282 1.00 73.24 H new ATOM 0 HB3 LEU A 61 5.654 0.644 -13.010 1.00 73.24 H new ATOM 0 HG LEU A 61 3.981 1.408 -10.638 1.00 64.22 H new ATOM 0 HD11 LEU A 61 2.836 -0.770 -10.748 1.00 21.21 H new ATOM 0 HD12 LEU A 61 2.415 0.267 -12.132 1.00 21.21 H new ATOM 0 HD13 LEU A 61 3.570 -1.071 -12.341 1.00 21.21 H new ATOM 0 HD21 LEU A 61 5.057 -0.594 -9.686 1.00 14.35 H new ATOM 0 HD22 LEU A 61 5.877 -0.887 -11.238 1.00 14.35 H new ATOM 0 HD23 LEU A 61 6.256 0.573 -10.293 1.00 14.35 H new ATOM 976 N GLY A 62 5.228 3.941 -14.414 1.00 33.04 N ATOM 977 CA GLY A 62 5.624 4.493 -15.696 1.00 31.35 C ATOM 978 C GLY A 62 6.639 5.610 -15.557 1.00 74.20 C ATOM 979 O GLY A 62 7.517 5.767 -16.405 1.00 1.00 O ATOM 0 H GLY A 62 4.274 4.163 -14.128 1.00 33.04 H new ATOM 0 HA2 GLY A 62 6.043 3.700 -16.316 1.00 31.35 H new ATOM 0 HA3 GLY A 62 4.742 4.870 -16.214 1.00 31.35 H new ATOM 983 N GLN A 63 6.517 6.388 -14.487 1.00 22.01 N ATOM 984 CA GLN A 63 7.431 7.498 -14.242 1.00 75.43 C ATOM 985 C GLN A 63 8.772 6.994 -13.717 1.00 55.24 C ATOM 986 O GLN A 63 9.718 7.766 -13.559 1.00 2.12 O ATOM 987 CB GLN A 63 6.816 8.482 -13.246 1.00 12.34 C ATOM 988 CG GLN A 63 7.017 9.940 -13.627 1.00 64.24 C ATOM 989 CD GLN A 63 8.018 10.645 -12.733 1.00 74.02 C ATOM 990 OE1 GLN A 63 8.106 10.362 -11.538 1.00 41.11 O ATOM 991 NE2 GLN A 63 8.779 11.568 -13.308 1.00 63.31 N ATOM 0 H GLN A 63 5.795 6.271 -13.776 1.00 22.01 H new ATOM 0 HA GLN A 63 7.602 8.010 -15.189 1.00 75.43 H new ATOM 0 HB2 GLN A 63 5.748 8.281 -13.162 1.00 12.34 H new ATOM 0 HB3 GLN A 63 7.251 8.309 -12.262 1.00 12.34 H new ATOM 0 HG2 GLN A 63 7.356 9.998 -14.661 1.00 64.24 H new ATOM 0 HG3 GLN A 63 6.060 10.460 -13.576 1.00 64.24 H new ATOM 0 HE21 GLN A 63 8.672 11.770 -14.302 1.00 63.31 H new ATOM 0 HE22 GLN A 63 9.471 12.075 -12.756 1.00 63.31 H new ATOM 1000 N LEU A 64 8.845 5.695 -13.447 1.00 41.31 N ATOM 1001 CA LEU A 64 10.069 5.088 -12.938 1.00 60.22 C ATOM 1002 C LEU A 64 10.617 4.060 -13.923 1.00 32.15 C ATOM 1003 O LEU A 64 11.789 3.689 -13.861 1.00 1.44 O ATOM 1004 CB LEU A 64 9.810 4.427 -11.584 1.00 13.13 C ATOM 1005 CG LEU A 64 9.355 5.357 -10.459 1.00 23.23 C ATOM 1006 CD1 LEU A 64 8.995 4.557 -9.216 1.00 43.42 C ATOM 1007 CD2 LEU A 64 10.438 6.379 -10.142 1.00 33.00 C ATOM 0 H LEU A 64 8.071 5.043 -13.572 1.00 41.31 H new ATOM 0 HA LEU A 64 10.811 5.876 -12.813 1.00 60.22 H new ATOM 0 HB2 LEU A 64 9.053 3.655 -11.718 1.00 13.13 H new ATOM 0 HB3 LEU A 64 10.724 3.925 -11.266 1.00 13.13 H new ATOM 0 HG LEU A 64 8.465 5.890 -10.793 1.00 23.23 H new ATOM 0 HD11 LEU A 64 8.674 5.236 -8.427 1.00 43.42 H new ATOM 0 HD12 LEU A 64 8.186 3.865 -9.450 1.00 43.42 H new ATOM 0 HD13 LEU A 64 9.867 3.996 -8.879 1.00 43.42 H new ATOM 0 HD21 LEU A 64 10.097 7.033 -9.339 1.00 33.00 H new ATOM 0 HD22 LEU A 64 11.345 5.862 -9.829 1.00 33.00 H new ATOM 0 HD23 LEU A 64 10.648 6.974 -11.031 1.00 33.00 H new ATOM 1019 N GLN A 65 9.760 3.603 -14.830 1.00 42.24 N ATOM 1020 CA GLN A 65 10.159 2.619 -15.829 1.00 72.40 C ATOM 1021 C GLN A 65 11.634 2.771 -16.185 1.00 63.24 C ATOM 1022 O GLN A 65 12.437 1.853 -16.013 1.00 53.22 O ATOM 1023 CB GLN A 65 9.301 2.761 -17.088 1.00 74.53 C ATOM 1024 CG GLN A 65 8.279 1.648 -17.256 1.00 53.33 C ATOM 1025 CD GLN A 65 7.618 1.665 -18.621 1.00 15.34 C ATOM 1026 OE1 GLN A 65 8.248 1.999 -19.625 1.00 34.32 O ATOM 1027 NE2 GLN A 65 6.340 1.304 -18.664 1.00 43.34 N ATOM 0 H GLN A 65 8.786 3.898 -14.894 1.00 42.24 H new ATOM 0 HA GLN A 65 10.007 1.627 -15.405 1.00 72.40 H new ATOM 0 HB2 GLN A 65 8.781 3.719 -17.057 1.00 74.53 H new ATOM 0 HB3 GLN A 65 9.953 2.780 -17.962 1.00 74.53 H new ATOM 0 HG2 GLN A 65 8.767 0.685 -17.105 1.00 53.33 H new ATOM 0 HG3 GLN A 65 7.514 1.742 -16.485 1.00 53.33 H new ATOM 0 HE21 GLN A 65 5.857 1.035 -17.807 1.00 43.34 H new ATOM 0 HE22 GLN A 65 5.842 1.296 -19.554 1.00 43.34 H new ATOM 1036 N PRO A 66 12.001 3.956 -16.693 1.00 24.20 N ATOM 1037 CA PRO A 66 13.382 4.257 -17.084 1.00 72.20 C ATOM 1038 C PRO A 66 14.313 4.373 -15.881 1.00 54.33 C ATOM 1039 O PRO A 66 15.370 3.744 -15.839 1.00 73.21 O ATOM 1040 CB PRO A 66 13.263 5.604 -17.800 1.00 64.43 C ATOM 1041 CG PRO A 66 12.037 6.229 -17.230 1.00 43.10 C ATOM 1042 CD PRO A 66 11.098 5.095 -16.925 1.00 15.52 C ATOM 0 HA PRO A 66 13.812 3.468 -17.701 1.00 72.20 H new ATOM 0 HB2 PRO A 66 14.142 6.225 -17.625 1.00 64.43 H new ATOM 0 HB3 PRO A 66 13.176 5.473 -18.879 1.00 64.43 H new ATOM 0 HG2 PRO A 66 12.271 6.795 -16.329 1.00 43.10 H new ATOM 0 HG3 PRO A 66 11.589 6.927 -17.938 1.00 43.10 H new ATOM 0 HD2 PRO A 66 10.485 5.306 -16.049 1.00 15.52 H new ATOM 0 HD3 PRO A 66 10.416 4.904 -17.754 1.00 15.52 H new ATOM 1050 N SER A 67 13.912 5.182 -14.905 1.00 63.11 N ATOM 1051 CA SER A 67 14.713 5.384 -13.703 1.00 75.31 C ATOM 1052 C SER A 67 15.168 4.047 -13.124 1.00 43.23 C ATOM 1053 O SER A 67 16.198 3.968 -12.452 1.00 71.22 O ATOM 1054 CB SER A 67 13.911 6.159 -12.655 1.00 42.32 C ATOM 1055 OG SER A 67 13.284 7.292 -13.230 1.00 12.22 O ATOM 0 H SER A 67 13.038 5.708 -14.923 1.00 63.11 H new ATOM 0 HA SER A 67 15.596 5.962 -13.976 1.00 75.31 H new ATOM 0 HB2 SER A 67 13.157 5.507 -12.214 1.00 42.32 H new ATOM 0 HB3 SER A 67 14.571 6.475 -11.847 1.00 42.32 H new ATOM 0 HG SER A 67 12.776 7.770 -12.541 1.00 12.22 H new ATOM 1061 N LEU A 68 14.395 3.000 -13.389 1.00 51.42 N ATOM 1062 CA LEU A 68 14.719 1.666 -12.895 1.00 13.11 C ATOM 1063 C LEU A 68 16.130 1.261 -13.305 1.00 23.02 C ATOM 1064 O LEU A 68 16.803 0.515 -12.594 1.00 42.10 O ATOM 1065 CB LEU A 68 13.710 0.646 -13.425 1.00 14.10 C ATOM 1066 CG LEU A 68 12.318 0.686 -12.791 1.00 1.33 C ATOM 1067 CD1 LEU A 68 11.328 -0.113 -13.623 1.00 62.34 C ATOM 1068 CD2 LEU A 68 12.368 0.158 -11.364 1.00 51.25 C ATOM 0 H LEU A 68 13.540 3.049 -13.943 1.00 51.42 H new ATOM 0 HA LEU A 68 14.669 1.687 -11.806 1.00 13.11 H new ATOM 0 HB2 LEU A 68 13.602 0.796 -14.499 1.00 14.10 H new ATOM 0 HB3 LEU A 68 14.124 -0.352 -13.282 1.00 14.10 H new ATOM 0 HG LEU A 68 11.982 1.723 -12.763 1.00 1.33 H new ATOM 0 HD11 LEU A 68 10.344 -0.072 -13.156 1.00 62.34 H new ATOM 0 HD12 LEU A 68 11.271 0.310 -14.626 1.00 62.34 H new ATOM 0 HD13 LEU A 68 11.658 -1.150 -13.685 1.00 62.34 H new ATOM 0 HD21 LEU A 68 11.370 0.193 -10.928 1.00 51.25 H new ATOM 0 HD22 LEU A 68 12.725 -0.872 -11.369 1.00 51.25 H new ATOM 0 HD23 LEU A 68 13.045 0.774 -10.772 1.00 51.25 H new ATOM 1080 N GLN A 69 16.575 1.760 -14.454 1.00 54.43 N ATOM 1081 CA GLN A 69 17.907 1.451 -14.957 1.00 2.14 C ATOM 1082 C GLN A 69 18.962 1.680 -13.879 1.00 33.52 C ATOM 1083 O GLN A 69 19.831 0.835 -13.656 1.00 13.22 O ATOM 1084 CB GLN A 69 18.223 2.306 -16.185 1.00 72.10 C ATOM 1085 CG GLN A 69 19.170 1.635 -17.168 1.00 33.44 C ATOM 1086 CD GLN A 69 18.631 0.316 -17.688 1.00 41.41 C ATOM 1087 OE1 GLN A 69 17.461 0.214 -18.057 1.00 32.40 O ATOM 1088 NE2 GLN A 69 19.484 -0.701 -17.721 1.00 53.23 N ATOM 0 H GLN A 69 16.031 2.380 -15.054 1.00 54.43 H new ATOM 0 HA GLN A 69 17.925 0.399 -15.241 1.00 2.14 H new ATOM 0 HB2 GLN A 69 17.292 2.548 -16.698 1.00 72.10 H new ATOM 0 HB3 GLN A 69 18.661 3.249 -15.858 1.00 72.10 H new ATOM 0 HG2 GLN A 69 19.351 2.306 -18.008 1.00 33.44 H new ATOM 0 HG3 GLN A 69 20.131 1.465 -16.683 1.00 33.44 H new ATOM 0 HE21 GLN A 69 20.445 -0.571 -17.405 1.00 53.23 H new ATOM 0 HE22 GLN A 69 19.178 -1.612 -18.062 1.00 53.23 H new ATOM 1097 N THR A 70 18.882 2.827 -13.213 1.00 32.23 N ATOM 1098 CA THR A 70 19.829 3.167 -12.159 1.00 24.13 C ATOM 1099 C THR A 70 19.146 3.927 -11.029 1.00 13.14 C ATOM 1100 O THR A 70 19.614 4.983 -10.604 1.00 23.22 O ATOM 1101 CB THR A 70 20.992 4.017 -12.704 1.00 4.04 C ATOM 1102 OG1 THR A 70 21.393 3.533 -13.990 1.00 42.13 O ATOM 1103 CG2 THR A 70 22.179 3.983 -11.752 1.00 3.23 C ATOM 0 H THR A 70 18.170 3.537 -13.385 1.00 32.23 H new ATOM 0 HA THR A 70 20.224 2.227 -11.773 1.00 24.13 H new ATOM 0 HB THR A 70 20.648 5.047 -12.795 1.00 4.04 H new ATOM 0 HG1 THR A 70 22.132 4.080 -14.330 1.00 42.13 H new ATOM 0 HG21 THR A 70 22.988 4.590 -12.158 1.00 3.23 H new ATOM 0 HG22 THR A 70 21.879 4.379 -10.782 1.00 3.23 H new ATOM 0 HG23 THR A 70 22.521 2.955 -11.634 1.00 3.23 H new ATOM 1111 N GLY A 71 18.034 3.383 -10.543 1.00 63.04 N ATOM 1112 CA GLY A 71 17.304 4.023 -9.464 1.00 72.11 C ATOM 1113 C GLY A 71 17.876 3.694 -8.101 1.00 24.24 C ATOM 1114 O GLY A 71 18.124 2.529 -7.788 1.00 62.21 O ATOM 0 H GLY A 71 17.626 2.510 -10.878 1.00 63.04 H new ATOM 0 HA2 GLY A 71 17.320 5.103 -9.610 1.00 72.11 H new ATOM 0 HA3 GLY A 71 16.260 3.711 -9.501 1.00 72.11 H new ATOM 1118 N SER A 72 18.090 4.721 -7.286 1.00 41.21 N ATOM 1119 CA SER A 72 18.643 4.536 -5.949 1.00 63.43 C ATOM 1120 C SER A 72 17.820 3.526 -5.156 1.00 61.21 C ATOM 1121 O SER A 72 16.767 3.077 -5.607 1.00 52.20 O ATOM 1122 CB SER A 72 18.690 5.871 -5.204 1.00 34.13 C ATOM 1123 OG SER A 72 17.430 6.180 -4.632 1.00 23.11 O ATOM 0 H SER A 72 17.889 5.691 -7.528 1.00 41.21 H new ATOM 0 HA SER A 72 19.657 4.151 -6.052 1.00 63.43 H new ATOM 0 HB2 SER A 72 19.448 5.828 -4.421 1.00 34.13 H new ATOM 0 HB3 SER A 72 18.986 6.664 -5.891 1.00 34.13 H new ATOM 0 HG SER A 72 17.486 7.037 -4.160 1.00 23.11 H new ATOM 1129 N GLU A 73 18.309 3.173 -3.972 1.00 21.43 N ATOM 1130 CA GLU A 73 17.618 2.215 -3.116 1.00 1.22 C ATOM 1131 C GLU A 73 16.154 2.604 -2.935 1.00 0.03 C ATOM 1132 O GLU A 73 15.302 1.751 -2.689 1.00 35.12 O ATOM 1133 CB GLU A 73 18.307 2.129 -1.751 1.00 72.20 C ATOM 1134 CG GLU A 73 18.809 0.735 -1.410 1.00 15.31 C ATOM 1135 CD GLU A 73 17.712 -0.165 -0.875 1.00 55.21 C ATOM 1136 OE1 GLU A 73 17.000 0.258 0.060 1.00 34.14 O ATOM 1137 OE2 GLU A 73 17.564 -1.292 -1.392 1.00 65.00 O ATOM 0 H GLU A 73 19.180 3.535 -3.584 1.00 21.43 H new ATOM 0 HA GLU A 73 17.659 1.239 -3.599 1.00 1.22 H new ATOM 0 HB2 GLU A 73 19.147 2.823 -1.733 1.00 72.20 H new ATOM 0 HB3 GLU A 73 17.609 2.454 -0.980 1.00 72.20 H new ATOM 0 HG2 GLU A 73 19.244 0.281 -2.301 1.00 15.31 H new ATOM 0 HG3 GLU A 73 19.605 0.811 -0.670 1.00 15.31 H new ATOM 1144 N GLU A 74 15.871 3.896 -3.058 1.00 4.41 N ATOM 1145 CA GLU A 74 14.510 4.398 -2.907 1.00 4.30 C ATOM 1146 C GLU A 74 13.668 4.064 -4.134 1.00 75.12 C ATOM 1147 O GLU A 74 12.593 3.472 -4.022 1.00 24.21 O ATOM 1148 CB GLU A 74 14.523 5.912 -2.681 1.00 32.34 C ATOM 1149 CG GLU A 74 15.134 6.322 -1.351 1.00 45.33 C ATOM 1150 CD GLU A 74 14.763 7.737 -0.950 1.00 73.14 C ATOM 1151 OE1 GLU A 74 14.240 8.478 -1.810 1.00 12.00 O ATOM 1152 OE2 GLU A 74 14.994 8.103 0.220 1.00 15.34 O ATOM 0 H GLU A 74 16.566 4.615 -3.262 1.00 4.41 H new ATOM 0 HA GLU A 74 14.065 3.912 -2.039 1.00 4.30 H new ATOM 0 HB2 GLU A 74 15.079 6.387 -3.489 1.00 32.34 H new ATOM 0 HB3 GLU A 74 13.501 6.288 -2.734 1.00 32.34 H new ATOM 0 HG2 GLU A 74 14.805 5.630 -0.576 1.00 45.33 H new ATOM 0 HG3 GLU A 74 16.219 6.238 -1.413 1.00 45.33 H new ATOM 1159 N LEU A 75 14.162 4.448 -5.306 1.00 63.43 N ATOM 1160 CA LEU A 75 13.456 4.190 -6.556 1.00 50.00 C ATOM 1161 C LEU A 75 13.141 2.705 -6.708 1.00 1.32 C ATOM 1162 O LEU A 75 12.062 2.333 -7.168 1.00 11.53 O ATOM 1163 CB LEU A 75 14.291 4.669 -7.745 1.00 74.33 C ATOM 1164 CG LEU A 75 13.509 5.080 -8.993 1.00 34.25 C ATOM 1165 CD1 LEU A 75 13.842 6.510 -9.386 1.00 11.23 C ATOM 1166 CD2 LEU A 75 13.800 4.127 -10.143 1.00 22.24 C ATOM 0 H LEU A 75 15.049 4.939 -5.417 1.00 63.43 H new ATOM 0 HA LEU A 75 12.516 4.742 -6.533 1.00 50.00 H new ATOM 0 HB2 LEU A 75 14.893 5.518 -7.422 1.00 74.33 H new ATOM 0 HB3 LEU A 75 14.984 3.874 -8.020 1.00 74.33 H new ATOM 0 HG LEU A 75 12.445 5.027 -8.764 1.00 34.25 H new ATOM 0 HD11 LEU A 75 13.276 6.784 -10.276 1.00 11.23 H new ATOM 0 HD12 LEU A 75 13.581 7.182 -8.569 1.00 11.23 H new ATOM 0 HD13 LEU A 75 14.909 6.591 -9.595 1.00 11.23 H new ATOM 0 HD21 LEU A 75 13.235 4.435 -11.023 1.00 22.24 H new ATOM 0 HD22 LEU A 75 14.866 4.147 -10.371 1.00 22.24 H new ATOM 0 HD23 LEU A 75 13.508 3.116 -9.860 1.00 22.24 H new ATOM 1178 N ARG A 76 14.090 1.861 -6.314 1.00 52.31 N ATOM 1179 CA ARG A 76 13.912 0.417 -6.405 1.00 61.33 C ATOM 1180 C ARG A 76 12.917 -0.076 -5.359 1.00 33.15 C ATOM 1181 O ARG A 76 12.053 -0.903 -5.651 1.00 22.54 O ATOM 1182 CB ARG A 76 15.254 -0.296 -6.223 1.00 50.41 C ATOM 1183 CG ARG A 76 16.046 -0.440 -7.512 1.00 21.22 C ATOM 1184 CD ARG A 76 17.333 -1.221 -7.290 1.00 72.11 C ATOM 1185 NE ARG A 76 17.987 -1.566 -8.549 1.00 65.04 N ATOM 1186 CZ ARG A 76 19.168 -2.170 -8.622 1.00 31.34 C ATOM 1187 NH1 ARG A 76 19.820 -2.495 -7.514 1.00 0.35 N ATOM 1188 NH2 ARG A 76 19.698 -2.452 -9.805 1.00 43.21 N ATOM 0 H ARG A 76 14.989 2.152 -5.929 1.00 52.31 H new ATOM 0 HA ARG A 76 13.516 0.187 -7.394 1.00 61.33 H new ATOM 0 HB2 ARG A 76 15.853 0.255 -5.498 1.00 50.41 H new ATOM 0 HB3 ARG A 76 15.076 -1.286 -5.803 1.00 50.41 H new ATOM 0 HG2 ARG A 76 15.436 -0.946 -8.261 1.00 21.22 H new ATOM 0 HG3 ARG A 76 16.282 0.548 -7.908 1.00 21.22 H new ATOM 0 HD2 ARG A 76 18.014 -0.631 -6.677 1.00 72.11 H new ATOM 0 HD3 ARG A 76 17.113 -2.132 -6.734 1.00 72.11 H new ATOM 0 HE ARG A 76 17.511 -1.330 -9.420 1.00 65.04 H new ATOM 0 HH11 ARG A 76 19.415 -2.281 -6.603 1.00 0.35 H new ATOM 0 HH12 ARG A 76 20.727 -2.959 -7.573 1.00 0.35 H new ATOM 0 HH21 ARG A 76 19.199 -2.205 -10.659 1.00 43.21 H new ATOM 0 HH22 ARG A 76 20.605 -2.916 -9.860 1.00 43.21 H new ATOM 1202 N SER A 77 13.044 0.438 -4.140 1.00 11.05 N ATOM 1203 CA SER A 77 12.159 0.048 -3.049 1.00 55.35 C ATOM 1204 C SER A 77 10.724 0.485 -3.330 1.00 42.01 C ATOM 1205 O SER A 77 9.774 -0.077 -2.786 1.00 31.11 O ATOM 1206 CB SER A 77 12.640 0.656 -1.731 1.00 3.55 C ATOM 1207 OG SER A 77 13.735 -0.071 -1.202 1.00 64.21 O ATOM 0 H SER A 77 13.752 1.126 -3.883 1.00 11.05 H new ATOM 0 HA SER A 77 12.180 -1.039 -2.968 1.00 55.35 H new ATOM 0 HB2 SER A 77 12.932 1.694 -1.891 1.00 3.55 H new ATOM 0 HB3 SER A 77 11.822 0.663 -1.010 1.00 3.55 H new ATOM 0 HG SER A 77 14.573 0.302 -1.548 1.00 64.21 H new ATOM 1213 N LEU A 78 10.576 1.491 -4.185 1.00 62.23 N ATOM 1214 CA LEU A 78 9.259 2.006 -4.540 1.00 60.53 C ATOM 1215 C LEU A 78 8.566 1.085 -5.540 1.00 33.23 C ATOM 1216 O LEU A 78 7.510 0.523 -5.253 1.00 31.50 O ATOM 1217 CB LEU A 78 9.380 3.414 -5.126 1.00 22.23 C ATOM 1218 CG LEU A 78 8.805 4.547 -4.274 1.00 31.21 C ATOM 1219 CD1 LEU A 78 7.377 4.230 -3.858 1.00 43.11 C ATOM 1220 CD2 LEU A 78 9.678 4.788 -3.051 1.00 13.33 C ATOM 0 H LEU A 78 11.352 1.966 -4.645 1.00 62.23 H new ATOM 0 HA LEU A 78 8.656 2.048 -3.633 1.00 60.53 H new ATOM 0 HB2 LEU A 78 10.435 3.621 -5.307 1.00 22.23 H new ATOM 0 HB3 LEU A 78 8.882 3.427 -6.096 1.00 22.23 H new ATOM 0 HG LEU A 78 8.793 5.458 -4.873 1.00 31.21 H new ATOM 0 HD11 LEU A 78 6.984 5.047 -3.253 1.00 43.11 H new ATOM 0 HD12 LEU A 78 6.758 4.107 -4.747 1.00 43.11 H new ATOM 0 HD13 LEU A 78 7.364 3.308 -3.276 1.00 43.11 H new ATOM 0 HD21 LEU A 78 9.255 5.597 -2.456 1.00 13.33 H new ATOM 0 HD22 LEU A 78 9.721 3.880 -2.450 1.00 13.33 H new ATOM 0 HD23 LEU A 78 10.684 5.060 -3.370 1.00 13.33 H new ATOM 1232 N TYR A 79 9.170 0.935 -6.714 1.00 14.20 N ATOM 1233 CA TYR A 79 8.611 0.083 -7.757 1.00 34.15 C ATOM 1234 C TYR A 79 8.172 -1.262 -7.184 1.00 62.55 C ATOM 1235 O TYR A 79 7.099 -1.768 -7.510 1.00 44.33 O ATOM 1236 CB TYR A 79 9.636 -0.134 -8.871 1.00 21.52 C ATOM 1237 CG TYR A 79 9.015 -0.446 -10.214 1.00 1.01 C ATOM 1238 CD1 TYR A 79 8.630 -1.741 -10.540 1.00 1.22 C ATOM 1239 CD2 TYR A 79 8.811 0.555 -11.156 1.00 13.40 C ATOM 1240 CE1 TYR A 79 8.063 -2.029 -11.766 1.00 71.20 C ATOM 1241 CE2 TYR A 79 8.242 0.275 -12.383 1.00 45.44 C ATOM 1242 CZ TYR A 79 7.871 -1.018 -12.684 1.00 4.13 C ATOM 1243 OH TYR A 79 7.305 -1.302 -13.906 1.00 3.22 O ATOM 0 H TYR A 79 10.046 1.392 -6.967 1.00 14.20 H new ATOM 0 HA TYR A 79 7.736 0.584 -8.171 1.00 34.15 H new ATOM 0 HB2 TYR A 79 10.253 0.760 -8.964 1.00 21.52 H new ATOM 0 HB3 TYR A 79 10.299 -0.951 -8.588 1.00 21.52 H new ATOM 0 HD1 TYR A 79 8.777 -2.535 -9.823 1.00 1.22 H new ATOM 0 HD2 TYR A 79 9.102 1.569 -10.925 1.00 13.40 H new ATOM 0 HE1 TYR A 79 7.771 -3.041 -12.005 1.00 71.20 H new ATOM 0 HE2 TYR A 79 8.089 1.065 -13.103 1.00 45.44 H new ATOM 0 HH TYR A 79 7.239 -0.480 -14.435 1.00 3.22 H new ATOM 1253 N ASN A 80 9.012 -1.836 -6.329 1.00 24.24 N ATOM 1254 CA ASN A 80 8.713 -3.122 -5.710 1.00 10.33 C ATOM 1255 C ASN A 80 7.355 -3.089 -5.014 1.00 43.43 C ATOM 1256 O ASN A 80 6.414 -3.764 -5.432 1.00 25.23 O ATOM 1257 CB ASN A 80 9.805 -3.494 -4.705 1.00 15.13 C ATOM 1258 CG ASN A 80 10.988 -4.177 -5.362 1.00 44.24 C ATOM 1259 OD1 ASN A 80 11.545 -3.674 -6.339 1.00 12.00 O ATOM 1260 ND2 ASN A 80 11.378 -5.329 -4.829 1.00 1.43 N ATOM 0 H ASN A 80 9.905 -1.431 -6.049 1.00 24.24 H new ATOM 0 HA ASN A 80 8.680 -3.876 -6.496 1.00 10.33 H new ATOM 0 HB2 ASN A 80 10.147 -2.594 -4.194 1.00 15.13 H new ATOM 0 HB3 ASN A 80 9.386 -4.152 -3.944 1.00 15.13 H new ATOM 0 HD21 ASN A 80 12.169 -5.834 -5.229 1.00 1.43 H new ATOM 0 HD22 ASN A 80 10.887 -5.709 -4.019 1.00 1.43 H new ATOM 1267 N THR A 81 7.261 -2.296 -3.951 1.00 32.44 N ATOM 1268 CA THR A 81 6.020 -2.174 -3.197 1.00 54.13 C ATOM 1269 C THR A 81 4.846 -1.862 -4.117 1.00 54.12 C ATOM 1270 O THR A 81 3.844 -2.578 -4.125 1.00 61.34 O ATOM 1271 CB THR A 81 6.121 -1.074 -2.122 1.00 61.53 C ATOM 1272 OG1 THR A 81 7.152 -1.400 -1.184 1.00 61.12 O ATOM 1273 CG2 THR A 81 4.796 -0.908 -1.393 1.00 25.33 C ATOM 0 H THR A 81 8.030 -1.729 -3.593 1.00 32.44 H new ATOM 0 HA THR A 81 5.851 -3.134 -2.710 1.00 54.13 H new ATOM 0 HB THR A 81 6.365 -0.134 -2.616 1.00 61.53 H new ATOM 0 HG1 THR A 81 8.020 -1.114 -1.539 1.00 61.12 H new ATOM 0 HG21 THR A 81 4.891 -0.127 -0.639 1.00 25.33 H new ATOM 0 HG22 THR A 81 4.020 -0.631 -2.107 1.00 25.33 H new ATOM 0 HG23 THR A 81 4.526 -1.847 -0.910 1.00 25.33 H new ATOM 1281 N ILE A 82 4.975 -0.791 -4.893 1.00 62.31 N ATOM 1282 CA ILE A 82 3.925 -0.387 -5.818 1.00 63.14 C ATOM 1283 C ILE A 82 3.352 -1.590 -6.559 1.00 2.21 C ATOM 1284 O ILE A 82 2.140 -1.697 -6.746 1.00 73.14 O ATOM 1285 CB ILE A 82 4.444 0.636 -6.847 1.00 74.15 C ATOM 1286 CG1 ILE A 82 4.929 1.903 -6.140 1.00 34.24 C ATOM 1287 CG2 ILE A 82 3.356 0.970 -7.857 1.00 71.41 C ATOM 1288 CD1 ILE A 82 5.977 2.667 -6.919 1.00 34.53 C ATOM 0 H ILE A 82 5.797 -0.187 -4.899 1.00 62.31 H new ATOM 0 HA ILE A 82 3.140 0.077 -5.221 1.00 63.14 H new ATOM 0 HB ILE A 82 5.286 0.196 -7.381 1.00 74.15 H new ATOM 0 HG12 ILE A 82 4.076 2.556 -5.957 1.00 34.24 H new ATOM 0 HG13 ILE A 82 5.337 1.632 -5.166 1.00 34.24 H new ATOM 0 HG21 ILE A 82 3.738 1.694 -8.577 1.00 71.41 H new ATOM 0 HG22 ILE A 82 3.054 0.063 -8.380 1.00 71.41 H new ATOM 0 HG23 ILE A 82 2.496 1.393 -7.338 1.00 71.41 H new ATOM 0 HD11 ILE A 82 6.274 3.553 -6.357 1.00 34.53 H new ATOM 0 HD12 ILE A 82 6.847 2.030 -7.079 1.00 34.53 H new ATOM 0 HD13 ILE A 82 5.566 2.969 -7.882 1.00 34.53 H new ATOM 1300 N ALA A 83 4.231 -2.495 -6.977 1.00 45.33 N ATOM 1301 CA ALA A 83 3.813 -3.693 -7.694 1.00 1.11 C ATOM 1302 C ALA A 83 2.728 -4.441 -6.927 1.00 25.25 C ATOM 1303 O ALA A 83 1.688 -4.793 -7.484 1.00 45.12 O ATOM 1304 CB ALA A 83 5.007 -4.601 -7.945 1.00 72.30 C ATOM 0 H ALA A 83 5.238 -2.421 -6.831 1.00 45.33 H new ATOM 0 HA ALA A 83 3.397 -3.386 -8.653 1.00 1.11 H new ATOM 0 HB1 ALA A 83 4.680 -5.492 -8.481 1.00 72.30 H new ATOM 0 HB2 ALA A 83 5.749 -4.070 -8.542 1.00 72.30 H new ATOM 0 HB3 ALA A 83 5.449 -4.893 -6.992 1.00 72.30 H new ATOM 1310 N VAL A 84 2.977 -4.682 -5.643 1.00 31.23 N ATOM 1311 CA VAL A 84 2.021 -5.388 -4.799 1.00 22.22 C ATOM 1312 C VAL A 84 0.739 -4.582 -4.627 1.00 25.41 C ATOM 1313 O VAL A 84 -0.359 -5.081 -4.876 1.00 24.12 O ATOM 1314 CB VAL A 84 2.616 -5.690 -3.410 1.00 12.14 C ATOM 1315 CG1 VAL A 84 1.573 -6.340 -2.512 1.00 53.33 C ATOM 1316 CG2 VAL A 84 3.846 -6.576 -3.538 1.00 5.51 C ATOM 0 H VAL A 84 3.833 -4.399 -5.165 1.00 31.23 H new ATOM 0 HA VAL A 84 1.790 -6.328 -5.300 1.00 22.22 H new ATOM 0 HB VAL A 84 2.920 -4.749 -2.952 1.00 12.14 H new ATOM 0 HG11 VAL A 84 2.011 -6.546 -1.535 1.00 53.33 H new ATOM 0 HG12 VAL A 84 0.724 -5.667 -2.394 1.00 53.33 H new ATOM 0 HG13 VAL A 84 1.236 -7.273 -2.963 1.00 53.33 H new ATOM 0 HG21 VAL A 84 4.253 -6.779 -2.547 1.00 5.51 H new ATOM 0 HG22 VAL A 84 3.569 -7.516 -4.016 1.00 5.51 H new ATOM 0 HG23 VAL A 84 4.598 -6.069 -4.142 1.00 5.51 H new ATOM 1326 N LEU A 85 0.885 -3.333 -4.199 1.00 41.01 N ATOM 1327 CA LEU A 85 -0.262 -2.455 -3.994 1.00 63.52 C ATOM 1328 C LEU A 85 -1.172 -2.453 -5.218 1.00 21.44 C ATOM 1329 O LEU A 85 -2.347 -2.097 -5.130 1.00 24.04 O ATOM 1330 CB LEU A 85 0.208 -1.032 -3.692 1.00 20.03 C ATOM 1331 CG LEU A 85 -0.886 -0.026 -3.330 1.00 72.55 C ATOM 1332 CD1 LEU A 85 -1.403 -0.283 -1.924 1.00 3.43 C ATOM 1333 CD2 LEU A 85 -0.365 1.398 -3.458 1.00 20.33 C ATOM 0 H LEU A 85 1.786 -2.905 -3.987 1.00 41.01 H new ATOM 0 HA LEU A 85 -0.829 -2.832 -3.143 1.00 63.52 H new ATOM 0 HB2 LEU A 85 0.922 -1.074 -2.869 1.00 20.03 H new ATOM 0 HB3 LEU A 85 0.746 -0.656 -4.562 1.00 20.03 H new ATOM 0 HG LEU A 85 -1.714 -0.152 -4.028 1.00 72.55 H new ATOM 0 HD11 LEU A 85 -2.181 0.442 -1.684 1.00 3.43 H new ATOM 0 HD12 LEU A 85 -1.816 -1.290 -1.867 1.00 3.43 H new ATOM 0 HD13 LEU A 85 -0.584 -0.186 -1.212 1.00 3.43 H new ATOM 0 HD21 LEU A 85 -1.157 2.100 -3.197 1.00 20.33 H new ATOM 0 HD22 LEU A 85 0.481 1.538 -2.785 1.00 20.33 H new ATOM 0 HD23 LEU A 85 -0.045 1.578 -4.484 1.00 20.33 H new ATOM 1345 N TYR A 86 -0.621 -2.856 -6.358 1.00 74.23 N ATOM 1346 CA TYR A 86 -1.384 -2.902 -7.600 1.00 2.43 C ATOM 1347 C TYR A 86 -2.193 -4.190 -7.697 1.00 35.53 C ATOM 1348 O TYR A 86 -3.378 -4.170 -8.033 1.00 1.21 O ATOM 1349 CB TYR A 86 -0.447 -2.783 -8.802 1.00 45.24 C ATOM 1350 CG TYR A 86 -1.157 -2.864 -10.135 1.00 20.43 C ATOM 1351 CD1 TYR A 86 -1.835 -1.768 -10.651 1.00 53.21 C ATOM 1352 CD2 TYR A 86 -1.148 -4.038 -10.878 1.00 75.42 C ATOM 1353 CE1 TYR A 86 -2.486 -1.838 -11.868 1.00 53.21 C ATOM 1354 CE2 TYR A 86 -1.796 -4.117 -12.095 1.00 60.45 C ATOM 1355 CZ TYR A 86 -2.463 -3.015 -12.586 1.00 60.23 C ATOM 1356 OH TYR A 86 -3.110 -3.089 -13.799 1.00 45.23 O ATOM 0 H TYR A 86 0.350 -3.155 -6.448 1.00 74.23 H new ATOM 0 HA TYR A 86 -2.077 -2.060 -7.602 1.00 2.43 H new ATOM 0 HB2 TYR A 86 0.088 -1.835 -8.742 1.00 45.24 H new ATOM 0 HB3 TYR A 86 0.300 -3.575 -8.749 1.00 45.24 H new ATOM 0 HD1 TYR A 86 -1.854 -0.844 -10.092 1.00 53.21 H new ATOM 0 HD2 TYR A 86 -0.626 -4.903 -10.497 1.00 75.42 H new ATOM 0 HE1 TYR A 86 -3.010 -0.976 -12.254 1.00 53.21 H new ATOM 0 HE2 TYR A 86 -1.780 -5.038 -12.659 1.00 60.45 H new ATOM 0 HH TYR A 86 -2.997 -3.986 -14.176 1.00 45.23 H new ATOM 1366 N CYS A 87 -1.545 -5.311 -7.399 1.00 65.54 N ATOM 1367 CA CYS A 87 -2.203 -6.613 -7.452 1.00 10.41 C ATOM 1368 C CYS A 87 -3.291 -6.715 -6.389 1.00 33.32 C ATOM 1369 O CYS A 87 -4.250 -7.472 -6.538 1.00 2.23 O ATOM 1370 CB CYS A 87 -1.179 -7.732 -7.262 1.00 34.52 C ATOM 1371 SG CYS A 87 -0.605 -7.926 -5.558 1.00 73.12 S ATOM 0 H CYS A 87 -0.565 -5.345 -7.118 1.00 65.54 H new ATOM 0 HA CYS A 87 -2.668 -6.719 -8.432 1.00 10.41 H new ATOM 0 HB2 CYS A 87 -1.618 -8.672 -7.595 1.00 34.52 H new ATOM 0 HB3 CYS A 87 -0.320 -7.536 -7.903 1.00 34.52 H new ATOM 0 HG CYS A 87 -0.640 -6.775 -4.955 1.00 73.12 H new ATOM 1377 N VAL A 88 -3.135 -5.949 -5.314 1.00 52.52 N ATOM 1378 CA VAL A 88 -4.104 -5.953 -4.225 1.00 32.23 C ATOM 1379 C VAL A 88 -5.423 -5.327 -4.660 1.00 53.11 C ATOM 1380 O VAL A 88 -6.496 -5.753 -4.231 1.00 54.32 O ATOM 1381 CB VAL A 88 -3.570 -5.195 -2.995 1.00 63.41 C ATOM 1382 CG1 VAL A 88 -4.671 -5.007 -1.962 1.00 65.02 C ATOM 1383 CG2 VAL A 88 -2.381 -5.930 -2.391 1.00 54.45 C ATOM 0 H VAL A 88 -2.346 -5.318 -5.174 1.00 52.52 H new ATOM 0 HA VAL A 88 -4.272 -6.996 -3.956 1.00 32.23 H new ATOM 0 HB VAL A 88 -3.235 -4.209 -3.316 1.00 63.41 H new ATOM 0 HG11 VAL A 88 -4.274 -4.470 -1.101 1.00 65.02 H new ATOM 0 HG12 VAL A 88 -5.488 -4.435 -2.401 1.00 65.02 H new ATOM 0 HG13 VAL A 88 -5.041 -5.981 -1.643 1.00 65.02 H new ATOM 0 HG21 VAL A 88 -2.016 -5.381 -1.523 1.00 54.45 H new ATOM 0 HG22 VAL A 88 -2.689 -6.930 -2.085 1.00 54.45 H new ATOM 0 HG23 VAL A 88 -1.586 -6.006 -3.132 1.00 54.45 H new ATOM 1393 N HIS A 89 -5.338 -4.313 -5.515 1.00 44.33 N ATOM 1394 CA HIS A 89 -6.526 -3.627 -6.011 1.00 52.33 C ATOM 1395 C HIS A 89 -7.105 -4.354 -7.221 1.00 51.32 C ATOM 1396 O HIS A 89 -8.332 -4.390 -7.325 1.00 2.14 O ATOM 1397 CB HIS A 89 -6.189 -2.182 -6.383 1.00 12.04 C ATOM 1398 CG HIS A 89 -5.708 -1.364 -5.224 1.00 43.24 C ATOM 1399 ND1 HIS A 89 -6.236 -1.471 -3.955 1.00 45.40 N ATOM 1400 CD2 HIS A 89 -4.739 -0.421 -5.148 1.00 71.13 C ATOM 1401 CE1 HIS A 89 -5.614 -0.629 -3.150 1.00 4.53 C ATOM 1402 NE2 HIS A 89 -4.700 0.021 -3.849 1.00 63.32 N ATOM 0 H HIS A 89 -4.458 -3.948 -5.879 1.00 44.33 H new ATOM 0 HA HIS A 89 -7.273 -3.625 -5.217 1.00 52.33 H new ATOM 0 HB2 HIS A 89 -5.423 -2.184 -7.159 1.00 12.04 H new ATOM 0 HB3 HIS A 89 -7.074 -1.709 -6.809 1.00 12.04 H new ATOM 0 HD2 HIS A 89 -4.113 -0.080 -5.959 1.00 71.13 H new ATOM 0 HE1 HIS A 89 -5.818 -0.494 -2.098 1.00 4.53 H new ATOM 0 HE2 HIS A 89 -4.069 0.734 -3.483 1.00 63.32 H new ATOM 1411 N GLN A 90 -6.287 -4.911 -8.108 1.00 70.31 N ATOM 1412 CA GLN A 90 -6.796 -5.615 -9.280 1.00 52.31 C ATOM 1413 C GLN A 90 -7.029 -7.090 -8.971 1.00 32.04 C ATOM 1414 O GLN A 90 -7.414 -7.864 -9.847 1.00 30.02 O ATOM 1415 CB GLN A 90 -5.819 -5.474 -10.449 1.00 32.50 C ATOM 1416 CG GLN A 90 -6.206 -4.386 -11.437 1.00 50.42 C ATOM 1417 CD GLN A 90 -6.603 -4.941 -12.790 1.00 53.44 C ATOM 1418 OE1 GLN A 90 -7.247 -5.986 -12.881 1.00 32.25 O ATOM 1419 NE2 GLN A 90 -6.223 -4.241 -13.853 1.00 3.43 N ATOM 0 H GLN A 90 -5.270 -4.889 -8.038 1.00 70.31 H new ATOM 0 HA GLN A 90 -7.750 -5.166 -9.557 1.00 52.31 H new ATOM 0 HB2 GLN A 90 -4.825 -5.260 -10.057 1.00 32.50 H new ATOM 0 HB3 GLN A 90 -5.756 -6.426 -10.976 1.00 32.50 H new ATOM 0 HG2 GLN A 90 -7.035 -3.808 -11.028 1.00 50.42 H new ATOM 0 HG3 GLN A 90 -5.369 -3.699 -11.562 1.00 50.42 H new ATOM 0 HE21 GLN A 90 -5.690 -3.380 -13.733 1.00 3.43 H new ATOM 0 HE22 GLN A 90 -6.464 -4.565 -14.790 1.00 3.43 H new ATOM 1428 N ARG A 91 -6.793 -7.472 -7.720 1.00 74.02 N ATOM 1429 CA ARG A 91 -6.976 -8.854 -7.296 1.00 30.21 C ATOM 1430 C ARG A 91 -6.132 -9.799 -8.146 1.00 24.24 C ATOM 1431 O ARG A 91 -6.571 -10.896 -8.494 1.00 22.34 O ATOM 1432 CB ARG A 91 -8.451 -9.248 -7.389 1.00 34.14 C ATOM 1433 CG ARG A 91 -8.867 -10.298 -6.372 1.00 30.04 C ATOM 1434 CD ARG A 91 -10.381 -10.399 -6.262 1.00 64.12 C ATOM 1435 NE ARG A 91 -10.935 -11.357 -7.214 1.00 14.33 N ATOM 1436 CZ ARG A 91 -10.803 -12.673 -7.094 1.00 21.33 C ATOM 1437 NH1 ARG A 91 -10.138 -13.185 -6.066 1.00 75.03 N ATOM 1438 NH2 ARG A 91 -11.337 -13.481 -8.002 1.00 12.15 N ATOM 0 H ARG A 91 -6.475 -6.843 -6.983 1.00 74.02 H new ATOM 0 HA ARG A 91 -6.650 -8.936 -6.259 1.00 30.21 H new ATOM 0 HB2 ARG A 91 -9.065 -8.358 -7.252 1.00 34.14 H new ATOM 0 HB3 ARG A 91 -8.655 -9.624 -8.391 1.00 34.14 H new ATOM 0 HG2 ARG A 91 -8.457 -11.266 -6.659 1.00 30.04 H new ATOM 0 HG3 ARG A 91 -8.446 -10.049 -5.398 1.00 30.04 H new ATOM 0 HD2 ARG A 91 -10.652 -10.696 -5.249 1.00 64.12 H new ATOM 0 HD3 ARG A 91 -10.824 -9.418 -6.435 1.00 64.12 H new ATOM 0 HE ARG A 91 -11.452 -10.996 -8.016 1.00 14.33 H new ATOM 0 HH11 ARG A 91 -9.727 -12.567 -5.366 1.00 75.03 H new ATOM 0 HH12 ARG A 91 -10.038 -14.196 -5.976 1.00 75.03 H new ATOM 0 HH21 ARG A 91 -11.849 -13.091 -8.793 1.00 12.15 H new ATOM 0 HH22 ARG A 91 -11.235 -14.492 -7.909 1.00 12.15 H new ATOM 1452 N ILE A 92 -4.920 -9.367 -8.474 1.00 62.15 N ATOM 1453 CA ILE A 92 -4.014 -10.175 -9.283 1.00 52.33 C ATOM 1454 C ILE A 92 -3.266 -11.188 -8.423 1.00 11.01 C ATOM 1455 O ILE A 92 -2.444 -10.819 -7.584 1.00 34.24 O ATOM 1456 CB ILE A 92 -2.992 -9.298 -10.030 1.00 11.13 C ATOM 1457 CG1 ILE A 92 -3.711 -8.305 -10.945 1.00 11.11 C ATOM 1458 CG2 ILE A 92 -2.034 -10.167 -10.830 1.00 42.33 C ATOM 1459 CD1 ILE A 92 -2.866 -7.109 -11.322 1.00 24.34 C ATOM 0 H ILE A 92 -4.542 -8.462 -8.193 1.00 62.15 H new ATOM 0 HA ILE A 92 -4.628 -10.704 -10.012 1.00 52.33 H new ATOM 0 HB ILE A 92 -2.415 -8.734 -9.297 1.00 11.13 H new ATOM 0 HG12 ILE A 92 -4.022 -8.820 -11.854 1.00 11.11 H new ATOM 0 HG13 ILE A 92 -4.617 -7.957 -10.449 1.00 11.11 H new ATOM 0 HG21 ILE A 92 -1.318 -9.533 -11.352 1.00 42.33 H new ATOM 0 HG22 ILE A 92 -1.501 -10.837 -10.156 1.00 42.33 H new ATOM 0 HG23 ILE A 92 -2.596 -10.755 -11.556 1.00 42.33 H new ATOM 0 HD11 ILE A 92 -3.440 -6.448 -11.971 1.00 24.34 H new ATOM 0 HD12 ILE A 92 -2.576 -6.570 -10.420 1.00 24.34 H new ATOM 0 HD13 ILE A 92 -1.972 -7.446 -11.846 1.00 24.34 H new ATOM 1471 N ASP A 93 -3.555 -12.467 -8.640 1.00 43.40 N ATOM 1472 CA ASP A 93 -2.907 -13.534 -7.887 1.00 33.30 C ATOM 1473 C ASP A 93 -1.397 -13.325 -7.836 1.00 4.24 C ATOM 1474 O ASP A 93 -0.756 -13.097 -8.862 1.00 22.11 O ATOM 1475 CB ASP A 93 -3.225 -14.893 -8.513 1.00 62.41 C ATOM 1476 CG ASP A 93 -2.429 -16.021 -7.885 1.00 45.23 C ATOM 1477 OD1 ASP A 93 -2.338 -16.062 -6.640 1.00 14.20 O ATOM 1478 OD2 ASP A 93 -1.894 -16.861 -8.638 1.00 65.35 O ATOM 0 H ASP A 93 -4.233 -12.789 -9.331 1.00 43.40 H new ATOM 0 HA ASP A 93 -3.293 -13.512 -6.868 1.00 33.30 H new ATOM 0 HB2 ASP A 93 -4.290 -15.099 -8.404 1.00 62.41 H new ATOM 0 HB3 ASP A 93 -3.015 -14.855 -9.582 1.00 62.41 H new ATOM 1483 N VAL A 94 -0.834 -13.402 -6.634 1.00 3.22 N ATOM 1484 CA VAL A 94 0.601 -13.221 -6.448 1.00 54.00 C ATOM 1485 C VAL A 94 1.097 -13.984 -5.226 1.00 63.02 C ATOM 1486 O VAL A 94 0.458 -13.979 -4.174 1.00 43.40 O ATOM 1487 CB VAL A 94 0.963 -11.732 -6.292 1.00 1.21 C ATOM 1488 CG1 VAL A 94 0.765 -10.993 -7.607 1.00 54.13 C ATOM 1489 CG2 VAL A 94 0.136 -11.097 -5.185 1.00 1.25 C ATOM 0 H VAL A 94 -1.350 -13.589 -5.774 1.00 3.22 H new ATOM 0 HA VAL A 94 1.088 -13.614 -7.340 1.00 54.00 H new ATOM 0 HB VAL A 94 2.015 -11.659 -6.017 1.00 1.21 H new ATOM 0 HG11 VAL A 94 1.026 -9.943 -7.477 1.00 54.13 H new ATOM 0 HG12 VAL A 94 1.404 -11.434 -8.372 1.00 54.13 H new ATOM 0 HG13 VAL A 94 -0.277 -11.073 -7.916 1.00 54.13 H new ATOM 0 HG21 VAL A 94 0.404 -10.045 -5.088 1.00 1.25 H new ATOM 0 HG22 VAL A 94 -0.923 -11.180 -5.429 1.00 1.25 H new ATOM 0 HG23 VAL A 94 0.333 -11.610 -4.244 1.00 1.25 H new ATOM 1499 N LYS A 95 2.243 -14.641 -5.371 1.00 63.22 N ATOM 1500 CA LYS A 95 2.830 -15.409 -4.279 1.00 74.25 C ATOM 1501 C LYS A 95 4.043 -14.692 -3.699 1.00 45.33 C ATOM 1502 O LYS A 95 4.602 -15.114 -2.686 1.00 13.41 O ATOM 1503 CB LYS A 95 3.232 -16.803 -4.767 1.00 24.10 C ATOM 1504 CG LYS A 95 3.489 -17.790 -3.642 1.00 21.20 C ATOM 1505 CD LYS A 95 2.610 -19.024 -3.772 1.00 53.21 C ATOM 1506 CE LYS A 95 2.539 -19.798 -2.464 1.00 41.00 C ATOM 1507 NZ LYS A 95 1.135 -19.975 -2.000 1.00 64.14 N ATOM 0 H LYS A 95 2.784 -14.657 -6.235 1.00 63.22 H new ATOM 0 HA LYS A 95 2.080 -15.508 -3.494 1.00 74.25 H new ATOM 0 HB2 LYS A 95 2.444 -17.195 -5.410 1.00 24.10 H new ATOM 0 HB3 LYS A 95 4.131 -16.720 -5.378 1.00 24.10 H new ATOM 0 HG2 LYS A 95 4.538 -18.087 -3.649 1.00 21.20 H new ATOM 0 HG3 LYS A 95 3.301 -17.307 -2.683 1.00 21.20 H new ATOM 0 HD2 LYS A 95 1.606 -18.727 -4.075 1.00 53.21 H new ATOM 0 HD3 LYS A 95 3.002 -19.670 -4.558 1.00 53.21 H new ATOM 0 HE2 LYS A 95 3.004 -20.775 -2.594 1.00 41.00 H new ATOM 0 HE3 LYS A 95 3.111 -19.272 -1.699 1.00 41.00 H new ATOM 0 HZ1 LYS A 95 1.129 -20.507 -1.106 1.00 64.14 H new ATOM 0 HZ2 LYS A 95 0.698 -19.043 -1.851 1.00 64.14 H new ATOM 0 HZ3 LYS A 95 0.595 -20.499 -2.718 1.00 64.14 H new ATOM 1521 N ASP A 96 4.447 -13.604 -4.346 1.00 62.13 N ATOM 1522 CA ASP A 96 5.594 -12.826 -3.894 1.00 14.53 C ATOM 1523 C ASP A 96 5.731 -11.539 -4.702 1.00 4.02 C ATOM 1524 O ASP A 96 5.094 -11.375 -5.743 1.00 34.42 O ATOM 1525 CB ASP A 96 6.875 -13.652 -4.005 1.00 63.53 C ATOM 1526 CG ASP A 96 6.891 -14.531 -5.240 1.00 71.43 C ATOM 1527 OD1 ASP A 96 6.826 -13.983 -6.360 1.00 52.43 O ATOM 1528 OD2 ASP A 96 6.970 -15.768 -5.087 1.00 55.22 O ATOM 0 H ASP A 96 3.996 -13.241 -5.186 1.00 62.13 H new ATOM 0 HA ASP A 96 5.432 -12.562 -2.849 1.00 14.53 H new ATOM 0 HB2 ASP A 96 7.735 -12.983 -4.028 1.00 63.53 H new ATOM 0 HB3 ASP A 96 6.980 -14.276 -3.117 1.00 63.53 H new ATOM 1533 N THR A 97 6.568 -10.627 -4.217 1.00 32.22 N ATOM 1534 CA THR A 97 6.788 -9.355 -4.893 1.00 1.14 C ATOM 1535 C THR A 97 6.892 -9.545 -6.401 1.00 51.02 C ATOM 1536 O THR A 97 6.085 -9.010 -7.162 1.00 52.12 O ATOM 1537 CB THR A 97 8.068 -8.664 -4.385 1.00 54.33 C ATOM 1538 OG1 THR A 97 7.865 -8.174 -3.054 1.00 63.21 O ATOM 1539 CG2 THR A 97 8.459 -7.513 -5.299 1.00 51.32 C ATOM 0 H THR A 97 7.105 -10.746 -3.358 1.00 32.22 H new ATOM 0 HA THR A 97 5.928 -8.724 -4.668 1.00 1.14 H new ATOM 0 HB THR A 97 8.875 -9.397 -4.383 1.00 54.33 H new ATOM 0 HG1 THR A 97 8.590 -8.490 -2.475 1.00 63.21 H new ATOM 0 HG21 THR A 97 9.365 -7.040 -4.921 1.00 51.32 H new ATOM 0 HG22 THR A 97 8.640 -7.892 -6.305 1.00 51.32 H new ATOM 0 HG23 THR A 97 7.652 -6.781 -5.327 1.00 51.32 H new ATOM 1547 N LYS A 98 7.889 -10.311 -6.830 1.00 0.30 N ATOM 1548 CA LYS A 98 8.098 -10.574 -8.249 1.00 15.52 C ATOM 1549 C LYS A 98 6.794 -10.992 -8.922 1.00 61.34 C ATOM 1550 O LYS A 98 6.414 -10.440 -9.953 1.00 53.44 O ATOM 1551 CB LYS A 98 9.154 -11.664 -8.436 1.00 62.44 C ATOM 1552 CG LYS A 98 10.217 -11.312 -9.463 1.00 11.22 C ATOM 1553 CD LYS A 98 11.313 -10.450 -8.857 1.00 35.04 C ATOM 1554 CE LYS A 98 12.376 -10.097 -9.885 1.00 63.11 C ATOM 1555 NZ LYS A 98 13.058 -11.310 -10.417 1.00 53.22 N ATOM 0 H LYS A 98 8.566 -10.761 -6.214 1.00 0.30 H new ATOM 0 HA LYS A 98 8.449 -9.654 -8.716 1.00 15.52 H new ATOM 0 HB2 LYS A 98 9.637 -11.859 -7.478 1.00 62.44 H new ATOM 0 HB3 LYS A 98 8.661 -12.588 -8.738 1.00 62.44 H new ATOM 0 HG2 LYS A 98 10.653 -12.227 -9.865 1.00 11.22 H new ATOM 0 HG3 LYS A 98 9.757 -10.784 -10.298 1.00 11.22 H new ATOM 0 HD2 LYS A 98 10.877 -9.536 -8.454 1.00 35.04 H new ATOM 0 HD3 LYS A 98 11.774 -10.979 -8.022 1.00 35.04 H new ATOM 0 HE2 LYS A 98 11.918 -9.548 -10.708 1.00 63.11 H new ATOM 0 HE3 LYS A 98 13.114 -9.435 -9.432 1.00 63.11 H new ATOM 0 HZ1 LYS A 98 13.921 -11.029 -10.925 1.00 53.22 H new ATOM 0 HZ2 LYS A 98 13.310 -11.940 -9.629 1.00 53.22 H new ATOM 0 HZ3 LYS A 98 12.420 -11.809 -11.069 1.00 53.22 H new ATOM 1569 N GLU A 99 6.116 -11.970 -8.330 1.00 71.04 N ATOM 1570 CA GLU A 99 4.855 -12.461 -8.874 1.00 30.20 C ATOM 1571 C GLU A 99 3.939 -11.301 -9.256 1.00 23.21 C ATOM 1572 O GLU A 99 3.211 -11.372 -10.246 1.00 4.01 O ATOM 1573 CB GLU A 99 4.153 -13.365 -7.858 1.00 61.11 C ATOM 1574 CG GLU A 99 4.087 -14.822 -8.284 1.00 20.52 C ATOM 1575 CD GLU A 99 2.760 -15.182 -8.925 1.00 32.32 C ATOM 1576 OE1 GLU A 99 2.642 -15.051 -10.161 1.00 11.55 O ATOM 1577 OE2 GLU A 99 1.840 -15.597 -8.189 1.00 3.24 O ATOM 0 H GLU A 99 6.418 -12.437 -7.475 1.00 71.04 H new ATOM 0 HA GLU A 99 5.077 -13.038 -9.772 1.00 30.20 H new ATOM 0 HB2 GLU A 99 4.674 -13.298 -6.903 1.00 61.11 H new ATOM 0 HB3 GLU A 99 3.140 -12.996 -7.695 1.00 61.11 H new ATOM 0 HG2 GLU A 99 4.894 -15.028 -8.987 1.00 20.52 H new ATOM 0 HG3 GLU A 99 4.251 -15.459 -7.415 1.00 20.52 H new ATOM 1584 N ALA A 100 3.981 -10.236 -8.463 1.00 51.51 N ATOM 1585 CA ALA A 100 3.157 -9.061 -8.719 1.00 24.15 C ATOM 1586 C ALA A 100 3.721 -8.234 -9.869 1.00 11.03 C ATOM 1587 O ALA A 100 2.985 -7.804 -10.758 1.00 60.41 O ATOM 1588 CB ALA A 100 3.045 -8.212 -7.461 1.00 54.42 C ATOM 0 H ALA A 100 4.577 -10.162 -7.638 1.00 51.51 H new ATOM 0 HA ALA A 100 2.162 -9.401 -9.005 1.00 24.15 H new ATOM 0 HB1 ALA A 100 2.427 -7.338 -7.666 1.00 54.42 H new ATOM 0 HB2 ALA A 100 2.589 -8.800 -6.665 1.00 54.42 H new ATOM 0 HB3 ALA A 100 4.039 -7.889 -7.150 1.00 54.42 H new ATOM 1594 N LEU A 101 5.031 -8.014 -9.846 1.00 5.41 N ATOM 1595 CA LEU A 101 5.695 -7.238 -10.887 1.00 52.44 C ATOM 1596 C LEU A 101 5.465 -7.860 -12.261 1.00 40.55 C ATOM 1597 O LEU A 101 4.938 -7.213 -13.167 1.00 15.03 O ATOM 1598 CB LEU A 101 7.195 -7.142 -10.603 1.00 55.33 C ATOM 1599 CG LEU A 101 7.597 -6.286 -9.401 1.00 72.13 C ATOM 1600 CD1 LEU A 101 8.959 -6.711 -8.876 1.00 51.41 C ATOM 1601 CD2 LEU A 101 7.603 -4.812 -9.775 1.00 40.54 C ATOM 0 H LEU A 101 5.654 -8.362 -9.118 1.00 5.41 H new ATOM 0 HA LEU A 101 5.267 -6.236 -10.886 1.00 52.44 H new ATOM 0 HB2 LEU A 101 7.581 -8.150 -10.451 1.00 55.33 H new ATOM 0 HB3 LEU A 101 7.687 -6.742 -11.489 1.00 55.33 H new ATOM 0 HG LEU A 101 6.863 -6.436 -8.610 1.00 72.13 H new ATOM 0 HD11 LEU A 101 9.229 -6.091 -8.021 1.00 51.41 H new ATOM 0 HD12 LEU A 101 8.921 -7.756 -8.569 1.00 51.41 H new ATOM 0 HD13 LEU A 101 9.705 -6.591 -9.661 1.00 51.41 H new ATOM 0 HD21 LEU A 101 7.891 -4.218 -8.908 1.00 40.54 H new ATOM 0 HD22 LEU A 101 8.315 -4.644 -10.583 1.00 40.54 H new ATOM 0 HD23 LEU A 101 6.607 -4.516 -10.103 1.00 40.54 H new ATOM 1613 N ASP A 102 5.861 -9.120 -12.408 1.00 11.44 N ATOM 1614 CA ASP A 102 5.694 -9.832 -13.669 1.00 44.52 C ATOM 1615 C ASP A 102 4.251 -9.745 -14.157 1.00 21.44 C ATOM 1616 O ASP A 102 3.996 -9.515 -15.339 1.00 21.23 O ATOM 1617 CB ASP A 102 6.106 -11.296 -13.512 1.00 21.02 C ATOM 1618 CG ASP A 102 7.598 -11.457 -13.294 1.00 63.42 C ATOM 1619 OD1 ASP A 102 8.324 -10.445 -13.383 1.00 4.53 O ATOM 1620 OD2 ASP A 102 8.040 -12.596 -13.035 1.00 14.12 O ATOM 0 H ASP A 102 6.300 -9.669 -11.669 1.00 11.44 H new ATOM 0 HA ASP A 102 6.338 -9.360 -14.411 1.00 44.52 H new ATOM 0 HB2 ASP A 102 5.569 -11.733 -12.670 1.00 21.02 H new ATOM 0 HB3 ASP A 102 5.810 -11.851 -14.402 1.00 21.02 H new ATOM 1625 N LYS A 103 3.311 -9.934 -13.237 1.00 54.31 N ATOM 1626 CA LYS A 103 1.893 -9.877 -13.571 1.00 35.20 C ATOM 1627 C LYS A 103 1.551 -8.571 -14.281 1.00 44.21 C ATOM 1628 O LYS A 103 0.619 -8.515 -15.082 1.00 53.52 O ATOM 1629 CB LYS A 103 1.043 -10.019 -12.306 1.00 25.15 C ATOM 1630 CG LYS A 103 0.700 -11.458 -11.962 1.00 22.35 C ATOM 1631 CD LYS A 103 -0.278 -12.053 -12.960 1.00 30.13 C ATOM 1632 CE LYS A 103 -0.876 -13.353 -12.447 1.00 34.41 C ATOM 1633 NZ LYS A 103 -0.538 -14.506 -13.328 1.00 54.35 N ATOM 0 H LYS A 103 3.506 -10.128 -12.255 1.00 54.31 H new ATOM 0 HA LYS A 103 1.672 -10.705 -14.245 1.00 35.20 H new ATOM 0 HB2 LYS A 103 1.577 -9.571 -11.468 1.00 25.15 H new ATOM 0 HB3 LYS A 103 0.119 -9.455 -12.434 1.00 25.15 H new ATOM 0 HG2 LYS A 103 1.611 -12.056 -11.944 1.00 22.35 H new ATOM 0 HG3 LYS A 103 0.271 -11.501 -10.961 1.00 22.35 H new ATOM 0 HD2 LYS A 103 -1.076 -11.338 -13.159 1.00 30.13 H new ATOM 0 HD3 LYS A 103 0.231 -12.234 -13.906 1.00 30.13 H new ATOM 0 HE2 LYS A 103 -0.511 -13.547 -11.439 1.00 34.41 H new ATOM 0 HE3 LYS A 103 -1.959 -13.253 -12.380 1.00 34.41 H new ATOM 0 HZ1 LYS A 103 -0.964 -15.373 -12.944 1.00 54.35 H new ATOM 0 HZ2 LYS A 103 -0.908 -14.333 -14.284 1.00 54.35 H new ATOM 0 HZ3 LYS A 103 0.495 -14.618 -13.372 1.00 54.35 H new ATOM 1647 N ILE A 104 2.314 -7.525 -13.982 1.00 14.40 N ATOM 1648 CA ILE A 104 2.093 -6.220 -14.594 1.00 11.34 C ATOM 1649 C ILE A 104 2.880 -6.082 -15.892 1.00 41.54 C ATOM 1650 O ILE A 104 2.507 -5.310 -16.775 1.00 20.31 O ATOM 1651 CB ILE A 104 2.492 -5.077 -13.641 1.00 52.44 C ATOM 1652 CG1 ILE A 104 1.702 -5.174 -12.334 1.00 23.31 C ATOM 1653 CG2 ILE A 104 2.260 -3.728 -14.306 1.00 22.14 C ATOM 1654 CD1 ILE A 104 2.255 -4.304 -11.228 1.00 12.13 C ATOM 0 H ILE A 104 3.090 -7.555 -13.321 1.00 14.40 H new ATOM 0 HA ILE A 104 1.027 -6.148 -14.809 1.00 11.34 H new ATOM 0 HB ILE A 104 3.553 -5.170 -13.411 1.00 52.44 H new ATOM 0 HG12 ILE A 104 0.666 -4.892 -12.523 1.00 23.31 H new ATOM 0 HG13 ILE A 104 1.694 -6.211 -12.000 1.00 23.31 H new ATOM 0 HG21 ILE A 104 2.546 -2.930 -13.621 1.00 22.14 H new ATOM 0 HG22 ILE A 104 2.862 -3.661 -15.212 1.00 22.14 H new ATOM 0 HG23 ILE A 104 1.205 -3.625 -14.562 1.00 22.14 H new ATOM 0 HD11 ILE A 104 1.646 -4.423 -10.332 1.00 12.13 H new ATOM 0 HD12 ILE A 104 3.281 -4.600 -11.011 1.00 12.13 H new ATOM 0 HD13 ILE A 104 2.237 -3.261 -11.543 1.00 12.13 H new ATOM 1666 N GLU A 105 3.969 -6.836 -16.001 1.00 23.23 N ATOM 1667 CA GLU A 105 4.807 -6.798 -17.193 1.00 64.15 C ATOM 1668 C GLU A 105 4.179 -7.604 -18.327 1.00 21.14 C ATOM 1669 O GLU A 105 4.190 -7.181 -19.482 1.00 51.22 O ATOM 1670 CB GLU A 105 6.204 -7.341 -16.880 1.00 13.11 C ATOM 1671 CG GLU A 105 7.148 -7.316 -18.069 1.00 61.14 C ATOM 1672 CD GLU A 105 8.540 -6.844 -17.700 1.00 22.52 C ATOM 1673 OE1 GLU A 105 9.090 -7.348 -16.698 1.00 1.13 O ATOM 1674 OE2 GLU A 105 9.080 -5.972 -18.411 1.00 3.41 O ATOM 0 H GLU A 105 4.291 -7.480 -15.279 1.00 23.23 H new ATOM 0 HA GLU A 105 4.892 -5.759 -17.512 1.00 64.15 H new ATOM 0 HB2 GLU A 105 6.639 -6.756 -16.070 1.00 13.11 H new ATOM 0 HB3 GLU A 105 6.114 -8.366 -16.520 1.00 13.11 H new ATOM 0 HG2 GLU A 105 7.210 -8.315 -18.500 1.00 61.14 H new ATOM 0 HG3 GLU A 105 6.739 -6.662 -18.839 1.00 61.14 H new ATOM 1681 N GLU A 106 3.634 -8.767 -17.986 1.00 35.11 N ATOM 1682 CA GLU A 106 3.001 -9.632 -18.975 1.00 63.15 C ATOM 1683 C GLU A 106 1.818 -8.931 -19.635 1.00 42.43 C ATOM 1684 O GLU A 106 1.498 -9.191 -20.794 1.00 65.03 O ATOM 1685 CB GLU A 106 2.536 -10.936 -18.322 1.00 63.11 C ATOM 1686 CG GLU A 106 3.614 -12.006 -18.265 1.00 32.33 C ATOM 1687 CD GLU A 106 3.108 -13.311 -17.681 1.00 64.12 C ATOM 1688 OE1 GLU A 106 2.319 -13.263 -16.715 1.00 73.32 O ATOM 1689 OE2 GLU A 106 3.503 -14.381 -18.192 1.00 13.43 O ATOM 0 H GLU A 106 3.618 -9.132 -17.034 1.00 35.11 H new ATOM 0 HA GLU A 106 3.739 -9.862 -19.744 1.00 63.15 H new ATOM 0 HB2 GLU A 106 2.193 -10.723 -17.309 1.00 63.11 H new ATOM 0 HB3 GLU A 106 1.680 -11.324 -18.874 1.00 63.11 H new ATOM 0 HG2 GLU A 106 3.996 -12.186 -19.270 1.00 32.33 H new ATOM 0 HG3 GLU A 106 4.450 -11.644 -17.666 1.00 32.33 H new ATOM 1696 N GLU A 107 1.174 -8.040 -18.888 1.00 33.11 N ATOM 1697 CA GLU A 107 0.025 -7.303 -19.400 1.00 71.13 C ATOM 1698 C GLU A 107 0.454 -6.305 -20.473 1.00 35.41 C ATOM 1699 O GLU A 107 -0.327 -5.959 -21.359 1.00 73.12 O ATOM 1700 CB GLU A 107 -0.687 -6.569 -18.262 1.00 71.42 C ATOM 1701 CG GLU A 107 -2.106 -7.056 -18.018 1.00 52.54 C ATOM 1702 CD GLU A 107 -2.916 -6.091 -17.175 1.00 34.21 C ATOM 1703 OE1 GLU A 107 -2.319 -5.395 -16.328 1.00 22.42 O ATOM 1704 OE2 GLU A 107 -4.149 -6.032 -17.362 1.00 53.33 O ATOM 0 H GLU A 107 1.428 -7.811 -17.927 1.00 33.11 H new ATOM 0 HA GLU A 107 -0.664 -8.019 -19.848 1.00 71.13 H new ATOM 0 HB2 GLU A 107 -0.108 -6.688 -17.346 1.00 71.42 H new ATOM 0 HB3 GLU A 107 -0.711 -5.503 -18.488 1.00 71.42 H new ATOM 0 HG2 GLU A 107 -2.605 -7.204 -18.976 1.00 52.54 H new ATOM 0 HG3 GLU A 107 -2.073 -8.026 -17.523 1.00 52.54 H new ATOM 1711 N GLN A 108 1.699 -5.849 -20.385 1.00 14.23 N ATOM 1712 CA GLN A 108 2.230 -4.890 -21.347 1.00 33.45 C ATOM 1713 C GLN A 108 2.930 -5.606 -22.497 1.00 5.51 C ATOM 1714 O GLN A 108 2.855 -5.175 -23.646 1.00 52.35 O ATOM 1715 CB GLN A 108 3.203 -3.932 -20.658 1.00 44.04 C ATOM 1716 CG GLN A 108 3.951 -3.027 -21.624 1.00 64.45 C ATOM 1717 CD GLN A 108 3.024 -2.294 -22.574 1.00 32.23 C ATOM 1718 OE1 GLN A 108 1.912 -1.916 -22.205 1.00 3.31 O ATOM 1719 NE2 GLN A 108 3.478 -2.090 -23.805 1.00 72.55 N ATOM 0 H GLN A 108 2.358 -6.128 -19.658 1.00 14.23 H new ATOM 0 HA GLN A 108 1.395 -4.318 -21.753 1.00 33.45 H new ATOM 0 HB2 GLN A 108 2.652 -3.315 -19.948 1.00 44.04 H new ATOM 0 HB3 GLN A 108 3.925 -4.512 -20.083 1.00 44.04 H new ATOM 0 HG2 GLN A 108 4.534 -2.300 -21.058 1.00 64.45 H new ATOM 0 HG3 GLN A 108 4.658 -3.623 -22.200 1.00 64.45 H new ATOM 0 HE21 GLN A 108 4.407 -2.421 -24.067 1.00 72.55 H new ATOM 0 HE22 GLN A 108 2.898 -1.603 -24.488 1.00 72.55 H new ATOM 1728 N ASN A 109 3.612 -6.701 -22.179 1.00 31.30 N ATOM 1729 CA ASN A 109 4.327 -7.476 -23.187 1.00 75.40 C ATOM 1730 C ASN A 109 3.380 -7.936 -24.292 1.00 70.31 C ATOM 1731 O ASN A 109 3.739 -7.939 -25.470 1.00 73.53 O ATOM 1732 CB ASN A 109 5.003 -8.688 -22.543 1.00 22.21 C ATOM 1733 CG ASN A 109 6.213 -8.303 -21.715 1.00 43.01 C ATOM 1734 OD1 ASN A 109 6.508 -7.120 -21.539 1.00 73.41 O ATOM 1735 ND2 ASN A 109 6.922 -9.302 -21.202 1.00 12.40 N ATOM 0 H ASN A 109 3.685 -7.072 -21.232 1.00 31.30 H new ATOM 0 HA ASN A 109 5.090 -6.835 -23.629 1.00 75.40 H new ATOM 0 HB2 ASN A 109 4.284 -9.208 -21.910 1.00 22.21 H new ATOM 0 HB3 ASN A 109 5.307 -9.388 -23.322 1.00 22.21 H new ATOM 0 HD21 ASN A 109 7.747 -9.104 -20.637 1.00 12.40 H new ATOM 0 HD22 ASN A 109 6.641 -10.267 -21.373 1.00 12.40 H new ATOM 1742 N LYS A 110 2.170 -8.324 -23.904 1.00 42.53 N ATOM 1743 CA LYS A 110 1.170 -8.783 -24.860 1.00 65.34 C ATOM 1744 C LYS A 110 0.874 -7.705 -25.898 1.00 73.53 C ATOM 1745 O LYS A 110 0.611 -8.008 -27.062 1.00 2.50 O ATOM 1746 CB LYS A 110 -0.118 -9.175 -24.134 1.00 13.14 C ATOM 1747 CG LYS A 110 -0.110 -10.599 -23.606 1.00 13.24 C ATOM 1748 CD LYS A 110 -1.442 -11.289 -23.845 1.00 74.42 C ATOM 1749 CE LYS A 110 -1.693 -11.518 -25.328 1.00 24.21 C ATOM 1750 NZ LYS A 110 -3.107 -11.239 -25.701 1.00 53.11 N ATOM 0 H LYS A 110 1.858 -8.330 -22.933 1.00 42.53 H new ATOM 0 HA LYS A 110 1.570 -9.657 -25.374 1.00 65.34 H new ATOM 0 HB2 LYS A 110 -0.279 -8.489 -23.302 1.00 13.14 H new ATOM 0 HB3 LYS A 110 -0.960 -9.054 -24.815 1.00 13.14 H new ATOM 0 HG2 LYS A 110 0.686 -11.164 -24.092 1.00 13.24 H new ATOM 0 HG3 LYS A 110 0.110 -10.591 -22.539 1.00 13.24 H new ATOM 0 HD2 LYS A 110 -1.457 -12.244 -23.321 1.00 74.42 H new ATOM 0 HD3 LYS A 110 -2.247 -10.683 -23.428 1.00 74.42 H new ATOM 0 HE2 LYS A 110 -1.031 -10.878 -25.911 1.00 24.21 H new ATOM 0 HE3 LYS A 110 -1.447 -12.549 -25.583 1.00 24.21 H new ATOM 0 HZ1 LYS A 110 -3.237 -11.407 -26.719 1.00 53.11 H new ATOM 0 HZ2 LYS A 110 -3.738 -11.867 -25.163 1.00 53.11 H new ATOM 0 HZ3 LYS A 110 -3.335 -10.248 -25.482 1.00 53.11 H new ATOM 1764 N SER A 111 0.919 -6.448 -25.468 1.00 65.24 N ATOM 1765 CA SER A 111 0.653 -5.326 -26.360 1.00 63.23 C ATOM 1766 C SER A 111 1.955 -4.682 -26.826 1.00 42.42 C ATOM 1767 O SER A 111 1.999 -3.489 -27.128 1.00 50.31 O ATOM 1768 CB SER A 111 -0.221 -4.286 -25.659 1.00 4.41 C ATOM 1769 OG SER A 111 -0.685 -3.308 -26.574 1.00 2.31 O ATOM 0 H SER A 111 1.137 -6.181 -24.508 1.00 65.24 H new ATOM 0 HA SER A 111 0.123 -5.706 -27.233 1.00 63.23 H new ATOM 0 HB2 SER A 111 -1.071 -4.779 -25.187 1.00 4.41 H new ATOM 0 HB3 SER A 111 0.349 -3.804 -24.865 1.00 4.41 H new ATOM 0 HG SER A 111 0.064 -2.990 -27.120 1.00 2.31 H new ATOM 1775 N LYS A 112 3.016 -5.480 -26.883 1.00 20.52 N ATOM 1776 CA LYS A 112 4.321 -4.991 -27.313 1.00 34.24 C ATOM 1777 C LYS A 112 4.847 -5.809 -28.488 1.00 2.42 C ATOM 1778 O LYS A 112 5.257 -5.254 -29.509 1.00 31.33 O ATOM 1779 CB LYS A 112 5.317 -5.047 -26.152 1.00 63.33 C ATOM 1780 CG LYS A 112 6.563 -4.209 -26.379 1.00 52.33 C ATOM 1781 CD LYS A 112 7.568 -4.932 -27.260 1.00 71.11 C ATOM 1782 CE LYS A 112 8.968 -4.881 -26.667 1.00 1.53 C ATOM 1783 NZ LYS A 112 9.120 -5.823 -25.523 1.00 2.31 N ATOM 0 H LYS A 112 2.998 -6.470 -26.636 1.00 20.52 H new ATOM 0 HA LYS A 112 4.206 -3.956 -27.635 1.00 34.24 H new ATOM 0 HB2 LYS A 112 4.822 -4.707 -25.243 1.00 63.33 H new ATOM 0 HB3 LYS A 112 5.611 -6.083 -25.986 1.00 63.33 H new ATOM 0 HG2 LYS A 112 6.286 -3.262 -26.843 1.00 52.33 H new ATOM 0 HG3 LYS A 112 7.023 -3.972 -25.420 1.00 52.33 H new ATOM 0 HD2 LYS A 112 7.262 -5.971 -27.385 1.00 71.11 H new ATOM 0 HD3 LYS A 112 7.575 -4.480 -28.252 1.00 71.11 H new ATOM 0 HE2 LYS A 112 9.698 -5.125 -27.438 1.00 1.53 H new ATOM 0 HE3 LYS A 112 9.184 -3.866 -26.333 1.00 1.53 H new ATOM 0 HZ1 LYS A 112 10.087 -5.759 -25.146 1.00 2.31 H new ATOM 0 HZ2 LYS A 112 8.440 -5.574 -24.776 1.00 2.31 H new ATOM 0 HZ3 LYS A 112 8.939 -6.795 -25.847 1.00 2.31 H new ATOM 1797 N LYS A 113 4.833 -7.128 -28.339 1.00 14.12 N ATOM 1798 CA LYS A 113 5.306 -8.022 -29.389 1.00 63.31 C ATOM 1799 C LYS A 113 4.488 -7.846 -30.664 1.00 32.45 C ATOM 1800 O LYS A 113 5.014 -7.949 -31.772 1.00 23.24 O ATOM 1801 CB LYS A 113 5.233 -9.477 -28.920 1.00 21.02 C ATOM 1802 CG LYS A 113 5.971 -9.735 -27.618 1.00 40.24 C ATOM 1803 CD LYS A 113 6.627 -11.106 -27.610 1.00 42.45 C ATOM 1804 CE LYS A 113 6.808 -11.629 -26.194 1.00 42.05 C ATOM 1805 NZ LYS A 113 7.957 -12.572 -26.094 1.00 14.45 N ATOM 0 H LYS A 113 4.499 -7.603 -27.500 1.00 14.12 H new ATOM 0 HA LYS A 113 6.343 -7.768 -29.607 1.00 63.31 H new ATOM 0 HB2 LYS A 113 4.187 -9.758 -28.797 1.00 21.02 H new ATOM 0 HB3 LYS A 113 5.647 -10.121 -29.696 1.00 21.02 H new ATOM 0 HG2 LYS A 113 6.730 -8.967 -27.471 1.00 40.24 H new ATOM 0 HG3 LYS A 113 5.275 -9.659 -26.783 1.00 40.24 H new ATOM 0 HD2 LYS A 113 6.017 -11.805 -28.182 1.00 42.45 H new ATOM 0 HD3 LYS A 113 7.597 -11.049 -28.105 1.00 42.45 H new ATOM 0 HE2 LYS A 113 6.965 -10.791 -25.515 1.00 42.05 H new ATOM 0 HE3 LYS A 113 5.896 -12.132 -25.873 1.00 42.05 H new ATOM 0 HZ1 LYS A 113 8.047 -12.906 -25.113 1.00 14.45 H new ATOM 0 HZ2 LYS A 113 7.795 -13.384 -26.723 1.00 14.45 H new ATOM 0 HZ3 LYS A 113 8.832 -12.085 -26.376 1.00 14.45 H new ATOM 1819 N LYS A 114 3.196 -7.579 -30.500 1.00 44.23 N ATOM 1820 CA LYS A 114 2.304 -7.385 -31.637 1.00 43.33 C ATOM 1821 C LYS A 114 2.755 -6.201 -32.487 1.00 62.33 C ATOM 1822 O LYS A 114 2.603 -6.208 -33.708 1.00 11.45 O ATOM 1823 CB LYS A 114 0.869 -7.162 -31.154 1.00 65.20 C ATOM 1824 CG LYS A 114 -0.104 -8.227 -31.629 1.00 54.34 C ATOM 1825 CD LYS A 114 -1.547 -7.779 -31.460 1.00 44.01 C ATOM 1826 CE LYS A 114 -2.521 -8.892 -31.814 1.00 41.45 C ATOM 1827 NZ LYS A 114 -3.019 -9.599 -30.603 1.00 32.35 N ATOM 0 H LYS A 114 2.744 -7.492 -29.590 1.00 44.23 H new ATOM 0 HA LYS A 114 2.339 -8.285 -32.251 1.00 43.33 H new ATOM 0 HB2 LYS A 114 0.861 -7.134 -30.064 1.00 65.20 H new ATOM 0 HB3 LYS A 114 0.525 -6.187 -31.500 1.00 65.20 H new ATOM 0 HG2 LYS A 114 0.087 -8.454 -32.678 1.00 54.34 H new ATOM 0 HG3 LYS A 114 0.060 -9.147 -31.069 1.00 54.34 H new ATOM 0 HD2 LYS A 114 -1.713 -7.463 -30.430 1.00 44.01 H new ATOM 0 HD3 LYS A 114 -1.737 -6.913 -32.094 1.00 44.01 H new ATOM 0 HE2 LYS A 114 -3.365 -8.475 -32.364 1.00 41.45 H new ATOM 0 HE3 LYS A 114 -2.031 -9.606 -32.476 1.00 41.45 H new ATOM 0 HZ1 LYS A 114 -3.680 -10.350 -30.887 1.00 32.35 H new ATOM 0 HZ2 LYS A 114 -2.217 -10.019 -30.092 1.00 32.35 H new ATOM 0 HZ3 LYS A 114 -3.509 -8.923 -29.983 1.00 32.35 H new ATOM 1841 N ALA A 115 3.312 -5.187 -31.833 1.00 22.22 N ATOM 1842 CA ALA A 115 3.788 -3.999 -32.529 1.00 52.31 C ATOM 1843 C ALA A 115 4.890 -4.349 -33.523 1.00 2.33 C ATOM 1844 O ALA A 115 4.988 -3.748 -34.592 1.00 53.53 O ATOM 1845 CB ALA A 115 4.285 -2.965 -31.529 1.00 5.22 C ATOM 0 H ALA A 115 3.444 -5.165 -30.822 1.00 22.22 H new ATOM 0 HA ALA A 115 2.953 -3.576 -33.087 1.00 52.31 H new ATOM 0 HB1 ALA A 115 4.638 -2.083 -32.063 1.00 5.22 H new ATOM 0 HB2 ALA A 115 3.471 -2.684 -30.861 1.00 5.22 H new ATOM 0 HB3 ALA A 115 5.103 -3.387 -30.945 1.00 5.22 H new ATOM 1851 N GLN A 116 5.718 -5.324 -33.162 1.00 72.11 N ATOM 1852 CA GLN A 116 6.814 -5.752 -34.022 1.00 61.41 C ATOM 1853 C GLN A 116 6.608 -7.189 -34.493 1.00 1.45 C ATOM 1854 O GLN A 116 7.563 -7.956 -34.607 1.00 63.54 O ATOM 1855 CB GLN A 116 8.149 -5.631 -33.284 1.00 33.43 C ATOM 1856 CG GLN A 116 9.354 -5.581 -34.208 1.00 12.12 C ATOM 1857 CD GLN A 116 10.043 -4.230 -34.195 1.00 13.22 C ATOM 1858 OE1 GLN A 116 9.397 -3.190 -34.325 1.00 73.23 O ATOM 1859 NE2 GLN A 116 11.361 -4.240 -34.038 1.00 3.34 N ATOM 0 H GLN A 116 5.650 -5.832 -32.280 1.00 72.11 H new ATOM 0 HA GLN A 116 6.831 -5.101 -34.896 1.00 61.41 H new ATOM 0 HB2 GLN A 116 8.135 -4.730 -32.671 1.00 33.43 H new ATOM 0 HB3 GLN A 116 8.257 -6.477 -32.605 1.00 33.43 H new ATOM 0 HG2 GLN A 116 10.066 -6.351 -33.912 1.00 12.12 H new ATOM 0 HG3 GLN A 116 9.038 -5.814 -35.225 1.00 12.12 H new ATOM 0 HE21 GLN A 116 11.855 -5.126 -33.934 1.00 3.34 H new ATOM 0 HE22 GLN A 116 11.879 -3.362 -34.021 1.00 3.34 H new ATOM 1868 N GLN A 117 5.357 -7.544 -34.762 1.00 14.53 N ATOM 1869 CA GLN A 117 5.025 -8.889 -35.218 1.00 4.12 C ATOM 1870 C GLN A 117 5.076 -8.975 -36.740 1.00 2.01 C ATOM 1871 O GLN A 117 5.357 -10.033 -37.302 1.00 21.22 O ATOM 1872 CB GLN A 117 3.637 -9.293 -34.718 1.00 62.22 C ATOM 1873 CG GLN A 117 3.669 -10.331 -33.608 1.00 35.40 C ATOM 1874 CD GLN A 117 4.044 -11.711 -34.111 1.00 2.24 C ATOM 1875 OE1 GLN A 117 5.066 -12.272 -33.714 1.00 23.45 O ATOM 1876 NE2 GLN A 117 3.217 -12.268 -34.987 1.00 52.23 N ATOM 0 H GLN A 117 4.556 -6.919 -34.672 1.00 14.53 H new ATOM 0 HA GLN A 117 5.764 -9.577 -34.808 1.00 4.12 H new ATOM 0 HB2 GLN A 117 3.117 -8.405 -34.359 1.00 62.22 H new ATOM 0 HB3 GLN A 117 3.058 -9.685 -35.554 1.00 62.22 H new ATOM 0 HG2 GLN A 117 4.383 -10.020 -32.845 1.00 35.40 H new ATOM 0 HG3 GLN A 117 2.691 -10.376 -33.130 1.00 35.40 H new ATOM 0 HE21 GLN A 117 2.381 -11.767 -35.289 1.00 52.23 H new ATOM 0 HE22 GLN A 117 3.417 -13.197 -35.358 1.00 52.23 H new ATOM 1885 N ALA A 118 4.802 -7.855 -37.401 1.00 21.03 N ATOM 1886 CA ALA A 118 4.819 -7.805 -38.857 1.00 14.23 C ATOM 1887 C ALA A 118 6.124 -7.207 -39.371 1.00 21.14 C ATOM 1888 O ALA A 118 6.150 -6.550 -40.411 1.00 61.02 O ATOM 1889 CB ALA A 118 3.632 -7.003 -39.370 1.00 62.14 C ATOM 0 H ALA A 118 4.566 -6.971 -36.951 1.00 21.03 H new ATOM 0 HA ALA A 118 4.745 -8.826 -39.232 1.00 14.23 H new ATOM 0 HB1 ALA A 118 3.656 -6.973 -40.459 1.00 62.14 H new ATOM 0 HB2 ALA A 118 2.705 -7.473 -39.041 1.00 62.14 H new ATOM 0 HB3 ALA A 118 3.683 -5.987 -38.978 1.00 62.14 H new ATOM 1895 N ALA A 119 7.207 -7.440 -38.635 1.00 74.20 N ATOM 1896 CA ALA A 119 8.515 -6.926 -39.017 1.00 63.55 C ATOM 1897 C ALA A 119 9.633 -7.697 -38.321 1.00 52.41 C ATOM 1898 O ALA A 119 10.704 -7.151 -38.058 1.00 65.34 O ATOM 1899 CB ALA A 119 8.615 -5.442 -38.695 1.00 50.03 C ATOM 0 H ALA A 119 7.203 -7.982 -37.771 1.00 74.20 H new ATOM 0 HA ALA A 119 8.630 -7.061 -40.092 1.00 63.55 H new ATOM 0 HB1 ALA A 119 9.598 -5.072 -38.986 1.00 50.03 H new ATOM 0 HB2 ALA A 119 7.846 -4.898 -39.243 1.00 50.03 H new ATOM 0 HB3 ALA A 119 8.473 -5.292 -37.625 1.00 50.03 H new ATOM 1905 N ALA A 120 9.374 -8.965 -38.024 1.00 74.22 N ATOM 1906 CA ALA A 120 10.359 -9.811 -37.360 1.00 14.41 C ATOM 1907 C ALA A 120 10.179 -11.274 -37.750 1.00 40.14 C ATOM 1908 O ALA A 120 10.556 -12.177 -37.003 1.00 13.50 O ATOM 1909 CB ALA A 120 10.258 -9.649 -35.850 1.00 63.42 C ATOM 0 H ALA A 120 8.490 -9.430 -38.232 1.00 74.22 H new ATOM 0 HA ALA A 120 11.351 -9.496 -37.684 1.00 14.41 H new ATOM 0 HB1 ALA A 120 10.998 -10.286 -35.365 1.00 63.42 H new ATOM 0 HB2 ALA A 120 10.443 -8.609 -35.582 1.00 63.42 H new ATOM 0 HB3 ALA A 120 9.260 -9.937 -35.519 1.00 63.42 H new ATOM 1915 N ASP A 121 9.603 -11.500 -38.925 1.00 74.40 N ATOM 1916 CA ASP A 121 9.374 -12.855 -39.415 1.00 55.24 C ATOM 1917 C ASP A 121 10.309 -13.178 -40.576 1.00 53.14 C ATOM 1918 O ASP A 121 9.864 -13.577 -41.654 1.00 21.02 O ATOM 1919 CB ASP A 121 7.919 -13.023 -39.855 1.00 13.23 C ATOM 1920 CG ASP A 121 7.423 -11.849 -40.677 1.00 71.41 C ATOM 1921 OD1 ASP A 121 7.050 -10.819 -40.078 1.00 35.05 O ATOM 1922 OD2 ASP A 121 7.410 -11.961 -41.920 1.00 52.03 O ATOM 0 H ASP A 121 9.286 -10.764 -39.556 1.00 74.40 H new ATOM 0 HA ASP A 121 9.581 -13.549 -38.600 1.00 55.24 H new ATOM 0 HB2 ASP A 121 7.823 -13.938 -40.439 1.00 13.23 H new ATOM 0 HB3 ASP A 121 7.287 -13.139 -38.974 1.00 13.23 H new ATOM 1927 N THR A 122 11.607 -13.001 -40.352 1.00 3.13 N ATOM 1928 CA THR A 122 12.605 -13.271 -41.379 1.00 15.23 C ATOM 1929 C THR A 122 13.513 -14.426 -40.973 1.00 55.04 C ATOM 1930 O THR A 122 14.571 -14.219 -40.382 1.00 2.44 O ATOM 1931 CB THR A 122 13.469 -12.028 -41.663 1.00 1.53 C ATOM 1932 OG1 THR A 122 13.975 -11.492 -40.434 1.00 53.34 O ATOM 1933 CG2 THR A 122 12.664 -10.964 -42.393 1.00 23.00 C ATOM 0 H THR A 122 11.992 -12.671 -39.467 1.00 3.13 H new ATOM 0 HA THR A 122 12.062 -13.541 -42.285 1.00 15.23 H new ATOM 0 HB THR A 122 14.302 -12.329 -42.298 1.00 1.53 H new ATOM 0 HG1 THR A 122 14.457 -12.192 -39.946 1.00 53.34 H new ATOM 0 HG21 THR A 122 13.296 -10.096 -42.582 1.00 23.00 H new ATOM 0 HG22 THR A 122 12.305 -11.366 -43.341 1.00 23.00 H new ATOM 0 HG23 THR A 122 11.813 -10.667 -41.780 1.00 23.00 H new ATOM 1941 N GLY A 123 13.093 -15.645 -41.298 1.00 32.30 N ATOM 1942 CA GLY A 123 13.881 -16.816 -40.959 1.00 53.13 C ATOM 1943 C GLY A 123 14.576 -17.416 -42.166 1.00 54.24 C ATOM 1944 O GLY A 123 14.039 -17.394 -43.273 1.00 43.53 O ATOM 0 H GLY A 123 12.221 -15.843 -41.790 1.00 32.30 H new ATOM 0 HA2 GLY A 123 14.627 -16.545 -40.212 1.00 53.13 H new ATOM 0 HA3 GLY A 123 13.234 -17.567 -40.506 1.00 53.13 H new ATOM 1948 N ASN A 124 15.772 -17.951 -41.952 1.00 62.12 N ATOM 1949 CA ASN A 124 16.543 -18.557 -43.032 1.00 70.00 C ATOM 1950 C ASN A 124 17.672 -19.421 -42.478 1.00 14.32 C ATOM 1951 O ASN A 124 18.320 -19.058 -41.498 1.00 1.14 O ATOM 1952 CB ASN A 124 17.117 -17.474 -43.947 1.00 21.31 C ATOM 1953 CG ASN A 124 17.458 -18.003 -45.327 1.00 64.42 C ATOM 1954 OD1 ASN A 124 18.620 -18.001 -45.735 1.00 54.11 O ATOM 1955 ND2 ASN A 124 16.444 -18.461 -46.052 1.00 43.31 N ATOM 0 H ASN A 124 16.229 -17.978 -41.041 1.00 62.12 H new ATOM 0 HA ASN A 124 15.873 -19.194 -43.609 1.00 70.00 H new ATOM 0 HB2 ASN A 124 16.396 -16.662 -44.040 1.00 21.31 H new ATOM 0 HB3 ASN A 124 18.013 -17.054 -43.490 1.00 21.31 H new ATOM 0 HD21 ASN A 124 16.612 -18.831 -46.988 1.00 43.31 H new ATOM 0 HD22 ASN A 124 15.497 -18.443 -45.673 1.00 43.31 H new ATOM 1962 N ASN A 125 17.900 -20.566 -43.112 1.00 54.14 N ATOM 1963 CA ASN A 125 18.950 -21.482 -42.682 1.00 61.23 C ATOM 1964 C ASN A 125 20.261 -21.183 -43.404 1.00 20.41 C ATOM 1965 O ASN A 125 20.345 -21.285 -44.627 1.00 53.34 O ATOM 1966 CB ASN A 125 18.530 -22.930 -42.942 1.00 23.23 C ATOM 1967 CG ASN A 125 18.443 -23.744 -41.665 1.00 65.12 C ATOM 1968 OD1 ASN A 125 19.258 -23.584 -40.757 1.00 14.15 O ATOM 1969 ND2 ASN A 125 17.452 -24.624 -41.592 1.00 32.52 N ATOM 0 H ASN A 125 17.372 -20.882 -43.925 1.00 54.14 H new ATOM 0 HA ASN A 125 19.105 -21.342 -41.612 1.00 61.23 H new ATOM 0 HB2 ASN A 125 17.562 -22.940 -43.443 1.00 23.23 H new ATOM 0 HB3 ASN A 125 19.245 -23.397 -43.620 1.00 23.23 H new ATOM 0 HD21 ASN A 125 17.343 -25.201 -40.758 1.00 32.52 H new ATOM 0 HD22 ASN A 125 16.799 -24.723 -42.370 1.00 32.52 H new ATOM 1976 N SER A 126 21.282 -20.816 -42.636 1.00 23.44 N ATOM 1977 CA SER A 126 22.589 -20.500 -43.201 1.00 52.14 C ATOM 1978 C SER A 126 23.527 -21.699 -43.106 1.00 1.22 C ATOM 1979 O SER A 126 23.658 -22.313 -42.047 1.00 44.14 O ATOM 1980 CB SER A 126 23.203 -19.298 -42.481 1.00 12.21 C ATOM 1981 OG SER A 126 22.223 -18.596 -41.736 1.00 50.54 O ATOM 0 H SER A 126 21.229 -20.730 -41.621 1.00 23.44 H new ATOM 0 HA SER A 126 22.452 -20.252 -44.253 1.00 52.14 H new ATOM 0 HB2 SER A 126 23.998 -19.635 -41.816 1.00 12.21 H new ATOM 0 HB3 SER A 126 23.660 -18.628 -43.209 1.00 12.21 H new ATOM 0 HG SER A 126 22.640 -17.833 -41.284 1.00 50.54 H new ATOM 1987 N GLN A 127 24.176 -22.025 -44.218 1.00 4.41 N ATOM 1988 CA GLN A 127 25.102 -23.151 -44.260 1.00 3.11 C ATOM 1989 C GLN A 127 26.000 -23.072 -45.490 1.00 61.33 C ATOM 1990 O GLN A 127 25.517 -22.969 -46.618 1.00 72.24 O ATOM 1991 CB GLN A 127 24.331 -24.472 -44.261 1.00 10.02 C ATOM 1992 CG GLN A 127 25.047 -25.594 -43.525 1.00 42.33 C ATOM 1993 CD GLN A 127 24.511 -26.964 -43.889 1.00 21.22 C ATOM 1994 OE1 GLN A 127 23.579 -27.089 -44.684 1.00 33.34 O ATOM 1995 NE2 GLN A 127 25.100 -28.003 -43.307 1.00 61.30 N ATOM 0 H GLN A 127 24.078 -21.526 -45.102 1.00 4.41 H new ATOM 0 HA GLN A 127 25.731 -23.106 -43.371 1.00 3.11 H new ATOM 0 HB2 GLN A 127 23.354 -24.314 -43.804 1.00 10.02 H new ATOM 0 HB3 GLN A 127 24.154 -24.779 -45.292 1.00 10.02 H new ATOM 0 HG2 GLN A 127 26.112 -25.552 -43.754 1.00 42.33 H new ATOM 0 HG3 GLN A 127 24.945 -25.442 -42.450 1.00 42.33 H new ATOM 0 HE21 GLN A 127 25.869 -27.853 -42.654 1.00 61.30 H new ATOM 0 HE22 GLN A 127 24.783 -28.950 -43.513 1.00 61.30 H new ATOM 2004 N VAL A 128 27.309 -23.120 -45.265 1.00 60.44 N ATOM 2005 CA VAL A 128 28.275 -23.055 -46.355 1.00 72.05 C ATOM 2006 C VAL A 128 29.698 -23.240 -45.841 1.00 61.14 C ATOM 2007 O VAL A 128 30.048 -22.757 -44.765 1.00 31.13 O ATOM 2008 CB VAL A 128 28.184 -21.713 -47.108 1.00 35.43 C ATOM 2009 CG1 VAL A 128 28.583 -20.562 -46.197 1.00 32.21 C ATOM 2010 CG2 VAL A 128 29.052 -21.742 -48.356 1.00 13.11 C ATOM 0 H VAL A 128 27.725 -23.204 -44.337 1.00 60.44 H new ATOM 0 HA VAL A 128 28.031 -23.866 -47.041 1.00 72.05 H new ATOM 0 HB VAL A 128 27.150 -21.559 -47.417 1.00 35.43 H new ATOM 0 HG11 VAL A 128 28.513 -19.623 -46.745 1.00 32.21 H new ATOM 0 HG12 VAL A 128 27.915 -20.531 -45.336 1.00 32.21 H new ATOM 0 HG13 VAL A 128 29.608 -20.707 -45.855 1.00 32.21 H new ATOM 0 HG21 VAL A 128 28.975 -20.786 -48.875 1.00 13.11 H new ATOM 0 HG22 VAL A 128 30.090 -21.919 -48.073 1.00 13.11 H new ATOM 0 HG23 VAL A 128 28.714 -22.541 -49.016 1.00 13.11 H new ATOM 2020 N SER A 129 30.516 -23.944 -46.619 1.00 14.15 N ATOM 2021 CA SER A 129 31.900 -24.196 -46.240 1.00 21.13 C ATOM 2022 C SER A 129 32.697 -22.896 -46.193 1.00 52.42 C ATOM 2023 O SER A 129 32.322 -21.904 -46.817 1.00 53.31 O ATOM 2024 CB SER A 129 32.551 -25.171 -47.224 1.00 51.40 C ATOM 2025 OG SER A 129 31.582 -26.016 -47.821 1.00 0.24 O ATOM 0 H SER A 129 30.243 -24.349 -47.515 1.00 14.15 H new ATOM 0 HA SER A 129 31.903 -24.639 -45.244 1.00 21.13 H new ATOM 0 HB2 SER A 129 33.078 -24.613 -47.998 1.00 51.40 H new ATOM 0 HB3 SER A 129 33.294 -25.775 -46.704 1.00 51.40 H new ATOM 0 HG SER A 129 32.023 -26.628 -48.447 1.00 0.24 H new ATOM 2031 N GLN A 130 33.798 -22.910 -45.449 1.00 30.53 N ATOM 2032 CA GLN A 130 34.647 -21.732 -45.319 1.00 12.21 C ATOM 2033 C GLN A 130 36.083 -22.129 -44.994 1.00 25.13 C ATOM 2034 O GLN A 130 36.324 -22.973 -44.132 1.00 72.52 O ATOM 2035 CB GLN A 130 34.104 -20.802 -44.232 1.00 61.42 C ATOM 2036 CG GLN A 130 33.866 -19.379 -44.713 1.00 21.33 C ATOM 2037 CD GLN A 130 32.909 -18.615 -43.820 1.00 10.14 C ATOM 2038 OE1 GLN A 130 33.291 -18.129 -42.754 1.00 54.32 O ATOM 2039 NE2 GLN A 130 31.658 -18.504 -44.250 1.00 11.21 N ATOM 0 H GLN A 130 34.123 -23.724 -44.927 1.00 30.53 H new ATOM 0 HA GLN A 130 34.642 -21.205 -46.273 1.00 12.21 H new ATOM 0 HB2 GLN A 130 33.168 -21.210 -43.851 1.00 61.42 H new ATOM 0 HB3 GLN A 130 34.806 -20.782 -43.398 1.00 61.42 H new ATOM 0 HG2 GLN A 130 34.818 -18.850 -44.756 1.00 21.33 H new ATOM 0 HG3 GLN A 130 33.469 -19.404 -45.728 1.00 21.33 H new ATOM 0 HE21 GLN A 130 31.385 -18.922 -45.139 1.00 11.21 H new ATOM 0 HE22 GLN A 130 30.969 -18.000 -43.691 1.00 11.21 H new ATOM 2048 N ASN A 131 37.034 -21.515 -45.689 1.00 44.15 N ATOM 2049 CA ASN A 131 38.447 -21.805 -45.475 1.00 33.12 C ATOM 2050 C ASN A 131 39.285 -20.533 -45.569 1.00 75.04 C ATOM 2051 O ASN A 131 38.945 -19.608 -46.308 1.00 11.43 O ATOM 2052 CB ASN A 131 38.940 -22.830 -46.498 1.00 72.14 C ATOM 2053 CG ASN A 131 39.903 -23.833 -45.894 1.00 23.32 C ATOM 2054 OD1 ASN A 131 39.804 -24.174 -44.714 1.00 54.23 O ATOM 2055 ND2 ASN A 131 40.843 -24.313 -46.701 1.00 53.54 N ATOM 0 H ASN A 131 36.852 -20.813 -46.406 1.00 44.15 H new ATOM 0 HA ASN A 131 38.559 -22.219 -44.473 1.00 33.12 H new ATOM 0 HB2 ASN A 131 38.085 -23.359 -46.919 1.00 72.14 H new ATOM 0 HB3 ASN A 131 39.430 -22.311 -47.321 1.00 72.14 H new ATOM 0 HD21 ASN A 131 41.519 -24.991 -46.350 1.00 53.54 H new ATOM 0 HD22 ASN A 131 40.889 -24.003 -47.672 1.00 53.54 H new ATOM 2062 N TYR A 132 40.379 -20.495 -44.818 1.00 63.42 N ATOM 2063 CA TYR A 132 41.265 -19.337 -44.815 1.00 51.42 C ATOM 2064 C TYR A 132 42.634 -19.699 -44.249 1.00 64.13 C ATOM 2065 O TYR A 132 43.643 -19.091 -44.603 1.00 45.31 O ATOM 2066 CB TYR A 132 40.648 -18.199 -43.999 1.00 23.14 C ATOM 2067 CG TYR A 132 41.539 -16.983 -43.886 1.00 21.23 C ATOM 2068 CD1 TYR A 132 41.625 -16.062 -44.922 1.00 71.10 C ATOM 2069 CD2 TYR A 132 42.294 -16.755 -42.742 1.00 71.13 C ATOM 2070 CE1 TYR A 132 42.439 -14.950 -44.823 1.00 41.20 C ATOM 2071 CE2 TYR A 132 43.109 -15.645 -42.634 1.00 11.32 C ATOM 2072 CZ TYR A 132 43.179 -14.746 -43.677 1.00 50.31 C ATOM 2073 OH TYR A 132 43.990 -13.638 -43.574 1.00 55.12 O ATOM 0 H TYR A 132 40.674 -21.253 -44.203 1.00 63.42 H new ATOM 0 HA TYR A 132 41.394 -19.008 -45.846 1.00 51.42 H new ATOM 0 HB2 TYR A 132 39.703 -17.906 -44.457 1.00 23.14 H new ATOM 0 HB3 TYR A 132 40.417 -18.564 -42.998 1.00 23.14 H new ATOM 0 HD1 TYR A 132 41.046 -16.218 -45.820 1.00 71.10 H new ATOM 0 HD2 TYR A 132 42.243 -17.458 -41.923 1.00 71.13 H new ATOM 0 HE1 TYR A 132 42.496 -14.244 -45.639 1.00 41.20 H new ATOM 0 HE2 TYR A 132 43.688 -15.482 -41.737 1.00 11.32 H new ATOM 0 HH TYR A 132 44.441 -13.643 -42.704 1.00 55.12 H new TER 2083 TYR A 132 HETATM 2084 C1 MYR A 1 -4.833 13.992 -0.475 1.00 70.32 C HETATM 2085 O1 MYR A 1 -4.812 14.962 -1.231 1.00 41.01 O HETATM 2086 C2 MYR A 1 -5.598 12.743 -0.915 1.00 4.22 C HETATM 2087 C3 MYR A 1 -4.713 11.496 -1.147 1.00 42.33 C HETATM 2088 C4 MYR A 1 -4.479 10.702 0.150 1.00 1.35 C HETATM 2089 C5 MYR A 1 -3.948 9.282 -0.126 1.00 34.01 C HETATM 2090 C6 MYR A 1 -2.487 9.107 0.328 1.00 1.53 C HETATM 2091 C7 MYR A 1 -2.321 7.937 1.316 1.00 4.30 C HETATM 2092 C8 MYR A 1 -1.365 6.854 0.780 1.00 21.44 C HETATM 2093 C9 MYR A 1 -2.106 5.556 0.408 1.00 21.33 C HETATM 2094 C10 MYR A 1 -1.456 4.310 1.044 1.00 73.43 C HETATM 2095 C11 MYR A 1 -0.077 3.943 0.457 1.00 2.32 C HETATM 2096 C12 MYR A 1 -0.011 2.543 -0.187 1.00 33.41 C HETATM 2097 C13 MYR A 1 1.436 2.058 -0.383 1.00 33.10 C HETATM 2098 C14 MYR A 1 1.528 0.526 -0.399 1.00 14.12 C HETATM 0 H143 MYR A 1 1.160 0.130 0.547 1.00 14.12 H new HETATM 0 H142 MYR A 1 0.923 0.134 -1.216 1.00 14.12 H new HETATM 0 H141 MYR A 1 2.566 0.225 -0.540 1.00 14.12 H new HETATM 0 H132 MYR A 1 1.829 2.455 -1.319 1.00 33.10 H new HETATM 0 H131 MYR A 1 2.062 2.451 0.418 1.00 33.10 H new HETATM 0 H122 MYR A 1 -0.549 1.831 0.440 1.00 33.41 H new HETATM 0 H121 MYR A 1 -0.518 2.565 -1.152 1.00 33.41 H new HETATM 0 H112 MYR A 1 0.195 4.687 -0.291 1.00 2.32 H new HETATM 0 H111 MYR A 1 0.669 4.000 1.250 1.00 2.32 H new HETATM 0 H102 MYR A 1 -1.349 4.478 2.116 1.00 73.43 H new HETATM 0 H101 MYR A 1 -2.128 3.461 0.920 1.00 73.43 H new HETATM 0 H92 MYR A 1 -3.144 5.627 0.732 1.00 21.33 H new HETATM 0 H91 MYR A 1 -2.117 5.444 -0.676 1.00 21.33 H new HETATM 0 H82 MYR A 1 -0.842 7.236 -0.097 1.00 21.44 H new HETATM 0 H81 MYR A 1 -0.608 6.635 1.533 1.00 21.44 H new HETATM 0 H72 MYR A 1 -1.942 8.316 2.265 1.00 4.30 H new HETATM 0 H71 MYR A 1 -3.296 7.492 1.517 1.00 4.30 H new HETATM 0 H62 MYR A 1 -1.855 8.937 -0.544 1.00 1.53 H new HETATM 0 H61 MYR A 1 -2.141 10.028 0.797 1.00 1.53 H new HETATM 0 H52 MYR A 1 -4.576 8.555 0.389 1.00 34.01 H new HETATM 0 H51 MYR A 1 -4.023 9.069 -1.192 1.00 34.01 H new HETATM 0 H42 MYR A 1 -3.768 11.238 0.779 1.00 1.35 H new HETATM 0 H41 MYR A 1 -5.413 10.637 0.708 1.00 1.35 H new HETATM 0 H32 MYR A 1 -5.185 10.850 -1.887 1.00 42.33 H new HETATM 0 H31 MYR A 1 -3.753 11.805 -1.560 1.00 42.33 H new HETATM 0 H22 MYR A 1 -6.346 12.506 -0.159 1.00 4.22 H new HETATM 0 H21 MYR A 1 -6.136 12.968 -1.836 1.00 4.22 H new