USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 26 MET CE :methyl 154:sc= -4.16! (180deg=-5.45!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0.0113 K(o=0.011,f=-1.5) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.0877 K(o=0.088,f=-2.8!) USER MOD Single : A 60 GLN : amide:sc= -5.73 K(o=-5.7,f=-9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.205 -10.264 -9.782 1.00 0.00 N ATOM 2 CA GLY A 1 -3.395 -10.484 -10.583 1.00 0.00 C ATOM 3 C GLY A 1 -4.069 -11.805 -10.270 1.00 0.00 C ATOM 4 O GLY A 1 -4.235 -12.164 -9.104 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.782 -9.348 -10.034 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.461 -10.262 -8.774 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.519 -11.024 -9.964 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.100 -9.670 -10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.128 -10.457 -11.639 1.00 0.00 H new ATOM 8 N SER A 2 -4.459 -12.531 -11.313 1.00 0.00 N ATOM 9 CA SER A 2 -5.124 -13.817 -11.143 1.00 0.00 C ATOM 10 C SER A 2 -4.102 -14.942 -11.001 1.00 0.00 C ATOM 11 O SER A 2 -4.141 -15.713 -10.043 1.00 0.00 O ATOM 12 CB SER A 2 -6.047 -14.099 -12.330 1.00 0.00 C ATOM 13 OG SER A 2 -7.112 -13.165 -12.380 1.00 0.00 O ATOM 0 H SER A 2 -4.326 -12.250 -12.285 1.00 0.00 H new ATOM 0 HA SER A 2 -5.720 -13.772 -10.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.476 -14.055 -13.257 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.448 -15.109 -12.251 1.00 0.00 H new ATOM 0 HG SER A 2 -7.687 -13.365 -13.148 1.00 0.00 H new ATOM 19 N SER A 3 -3.189 -15.028 -11.963 1.00 0.00 N ATOM 20 CA SER A 3 -2.159 -16.060 -11.949 1.00 0.00 C ATOM 21 C SER A 3 -1.388 -16.039 -10.633 1.00 0.00 C ATOM 22 O SER A 3 -0.809 -15.022 -10.256 1.00 0.00 O ATOM 23 CB SER A 3 -1.196 -15.865 -13.122 1.00 0.00 C ATOM 24 OG SER A 3 -0.389 -17.014 -13.315 1.00 0.00 O ATOM 0 H SER A 3 -3.142 -14.396 -12.762 1.00 0.00 H new ATOM 0 HA SER A 3 -2.648 -17.029 -12.048 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.762 -15.657 -14.030 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.562 -14.998 -12.936 1.00 0.00 H new ATOM 0 HG SER A 3 0.216 -16.865 -14.071 1.00 0.00 H new ATOM 30 N GLY A 4 -1.385 -17.173 -9.938 1.00 0.00 N ATOM 31 CA GLY A 4 -0.682 -17.264 -8.672 1.00 0.00 C ATOM 32 C GLY A 4 -1.607 -17.596 -7.518 1.00 0.00 C ATOM 33 O GLY A 4 -2.829 -17.524 -7.652 1.00 0.00 O ATOM 0 H GLY A 4 -1.857 -18.029 -10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.093 -18.028 -8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.179 -16.318 -8.470 1.00 0.00 H new ATOM 37 N SER A 5 -1.025 -17.964 -6.381 1.00 0.00 N ATOM 38 CA SER A 5 -1.806 -18.314 -5.200 1.00 0.00 C ATOM 39 C SER A 5 -1.793 -17.177 -4.183 1.00 0.00 C ATOM 40 O SER A 5 -2.838 -16.770 -3.677 1.00 0.00 O ATOM 41 CB SER A 5 -1.258 -19.591 -4.561 1.00 0.00 C ATOM 42 OG SER A 5 -2.243 -20.226 -3.765 1.00 0.00 O ATOM 0 H SER A 5 -0.015 -18.028 -6.253 1.00 0.00 H new ATOM 0 HA SER A 5 -2.836 -18.486 -5.514 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.919 -20.274 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.390 -19.351 -3.948 1.00 0.00 H new ATOM 0 HG SER A 5 -1.868 -21.041 -3.369 1.00 0.00 H new ATOM 48 N SER A 6 -0.601 -16.667 -3.890 1.00 0.00 N ATOM 49 CA SER A 6 -0.449 -15.579 -2.931 1.00 0.00 C ATOM 50 C SER A 6 0.327 -14.418 -3.544 1.00 0.00 C ATOM 51 O SER A 6 1.066 -14.594 -4.512 1.00 0.00 O ATOM 52 CB SER A 6 0.264 -16.076 -1.672 1.00 0.00 C ATOM 53 OG SER A 6 0.022 -15.213 -0.574 1.00 0.00 O ATOM 0 H SER A 6 0.274 -16.990 -4.303 1.00 0.00 H new ATOM 0 HA SER A 6 -1.444 -15.225 -2.661 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.078 -17.082 -1.430 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.336 -16.140 -1.859 1.00 0.00 H new ATOM 0 HG SER A 6 0.487 -15.554 0.218 1.00 0.00 H new ATOM 59 N GLY A 7 0.154 -13.231 -2.972 1.00 0.00 N ATOM 60 CA GLY A 7 0.844 -12.057 -3.475 1.00 0.00 C ATOM 61 C GLY A 7 1.661 -11.361 -2.405 1.00 0.00 C ATOM 62 O GLY A 7 1.647 -11.766 -1.243 1.00 0.00 O ATOM 0 H GLY A 7 -0.452 -13.061 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.499 -12.349 -4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.114 -11.358 -3.883 1.00 0.00 H new ATOM 66 N ASN A 8 2.375 -10.311 -2.796 1.00 0.00 N ATOM 67 CA ASN A 8 3.203 -9.558 -1.861 1.00 0.00 C ATOM 68 C ASN A 8 2.352 -8.610 -1.022 1.00 0.00 C ATOM 69 O ASN A 8 1.600 -7.794 -1.557 1.00 0.00 O ATOM 70 CB ASN A 8 4.273 -8.768 -2.617 1.00 0.00 C ATOM 71 CG ASN A 8 5.082 -9.641 -3.556 1.00 0.00 C ATOM 72 OD1 ASN A 8 5.801 -10.540 -3.120 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.968 -9.380 -4.853 1.00 0.00 N ATOM 0 H ASN A 8 2.397 -9.962 -3.754 1.00 0.00 H new ATOM 0 HA ASN A 8 3.690 -10.268 -1.192 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.797 -7.970 -3.187 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.943 -8.292 -1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.488 -9.935 -5.533 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.360 -8.625 -5.170 1.00 0.00 H new ATOM 80 N THR A 9 2.475 -8.722 0.297 1.00 0.00 N ATOM 81 CA THR A 9 1.717 -7.876 1.210 1.00 0.00 C ATOM 82 C THR A 9 2.598 -6.784 1.806 1.00 0.00 C ATOM 83 O THR A 9 3.771 -7.012 2.103 1.00 0.00 O ATOM 84 CB THR A 9 1.096 -8.700 2.354 1.00 0.00 C ATOM 85 OG1 THR A 9 0.529 -9.908 1.836 1.00 0.00 O ATOM 86 CG2 THR A 9 0.023 -7.899 3.076 1.00 0.00 C ATOM 0 H THR A 9 3.093 -9.391 0.757 1.00 0.00 H new ATOM 0 HA THR A 9 0.918 -7.417 0.627 1.00 0.00 H new ATOM 0 HB THR A 9 1.885 -8.946 3.065 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.138 -10.427 2.570 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.401 -8.501 3.880 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.464 -6.994 3.494 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.764 -7.627 2.372 1.00 0.00 H new ATOM 94 N TYR A 10 2.026 -5.598 1.978 1.00 0.00 N ATOM 95 CA TYR A 10 2.760 -4.469 2.538 1.00 0.00 C ATOM 96 C TYR A 10 1.924 -3.741 3.586 1.00 0.00 C ATOM 97 O TYR A 10 0.754 -3.431 3.358 1.00 0.00 O ATOM 98 CB TYR A 10 3.166 -3.498 1.428 1.00 0.00 C ATOM 99 CG TYR A 10 4.202 -4.059 0.480 1.00 0.00 C ATOM 100 CD1 TYR A 10 3.873 -5.060 -0.425 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.509 -3.588 0.490 1.00 0.00 C ATOM 102 CE1 TYR A 10 4.817 -5.577 -1.292 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.458 -4.097 -0.374 1.00 0.00 C ATOM 104 CZ TYR A 10 6.108 -5.092 -1.263 1.00 0.00 C ATOM 105 OH TYR A 10 7.050 -5.603 -2.126 1.00 0.00 O ATOM 0 H TYR A 10 1.056 -5.393 1.738 1.00 0.00 H new ATOM 0 HA TYR A 10 3.658 -4.855 3.021 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.279 -3.219 0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.556 -2.586 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.863 -5.441 -0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.787 -2.810 1.186 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.545 -6.356 -1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.469 -3.718 -0.354 1.00 0.00 H new ATOM 0 HH TYR A 10 7.908 -5.153 -1.978 1.00 0.00 H new ATOM 115 N VAL A 11 2.533 -3.470 4.736 1.00 0.00 N ATOM 116 CA VAL A 11 1.848 -2.777 5.820 1.00 0.00 C ATOM 117 C VAL A 11 2.218 -1.298 5.847 1.00 0.00 C ATOM 118 O VAL A 11 3.395 -0.942 5.805 1.00 0.00 O ATOM 119 CB VAL A 11 2.181 -3.404 7.186 1.00 0.00 C ATOM 120 CG1 VAL A 11 3.687 -3.466 7.393 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.512 -2.623 8.308 1.00 0.00 C ATOM 0 H VAL A 11 3.500 -3.720 4.941 1.00 0.00 H new ATOM 0 HA VAL A 11 0.779 -2.877 5.634 1.00 0.00 H new ATOM 0 HB VAL A 11 1.794 -4.423 7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.903 -3.912 8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.138 -4.072 6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.101 -2.458 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.758 -3.080 9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.867 -1.592 8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.431 -2.636 8.166 1.00 0.00 H new ATOM 131 N ALA A 12 1.205 -0.441 5.919 1.00 0.00 N ATOM 132 CA ALA A 12 1.423 0.999 5.955 1.00 0.00 C ATOM 133 C ALA A 12 2.066 1.424 7.271 1.00 0.00 C ATOM 134 O ALA A 12 1.492 1.234 8.344 1.00 0.00 O ATOM 135 CB ALA A 12 0.110 1.738 5.744 1.00 0.00 C ATOM 0 H ALA A 12 0.224 -0.720 5.954 1.00 0.00 H new ATOM 0 HA ALA A 12 2.106 1.258 5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.289 2.813 5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.309 1.466 4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.592 1.465 6.532 1.00 0.00 H new ATOM 141 N LEU A 13 3.260 1.999 7.182 1.00 0.00 N ATOM 142 CA LEU A 13 3.982 2.451 8.366 1.00 0.00 C ATOM 143 C LEU A 13 3.372 3.735 8.919 1.00 0.00 C ATOM 144 O LEU A 13 3.323 3.938 10.132 1.00 0.00 O ATOM 145 CB LEU A 13 5.458 2.676 8.034 1.00 0.00 C ATOM 146 CG LEU A 13 6.223 1.457 7.515 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.536 1.882 6.876 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.473 0.465 8.642 1.00 0.00 C ATOM 0 H LEU A 13 3.749 2.163 6.302 1.00 0.00 H new ATOM 0 HA LEU A 13 3.902 1.675 9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.525 3.467 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.960 3.040 8.930 1.00 0.00 H new ATOM 0 HG LEU A 13 5.615 0.967 6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.066 1.001 6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.334 2.554 6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.151 2.396 7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.018 -0.396 8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.061 0.944 9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.520 0.135 9.054 1.00 0.00 H new ATOM 160 N TYR A 14 2.908 4.597 8.022 1.00 0.00 N ATOM 161 CA TYR A 14 2.301 5.862 8.419 1.00 0.00 C ATOM 162 C TYR A 14 1.008 6.112 7.649 1.00 0.00 C ATOM 163 O TYR A 14 0.717 5.433 6.663 1.00 0.00 O ATOM 164 CB TYR A 14 3.278 7.016 8.186 1.00 0.00 C ATOM 165 CG TYR A 14 4.729 6.621 8.339 1.00 0.00 C ATOM 166 CD1 TYR A 14 5.363 6.693 9.574 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.467 6.174 7.250 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.689 6.334 9.718 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.793 5.811 7.385 1.00 0.00 C ATOM 170 CZ TYR A 14 7.400 5.893 8.621 1.00 0.00 C ATOM 171 OH TYR A 14 8.720 5.533 8.761 1.00 0.00 O ATOM 0 H TYR A 14 2.940 4.443 7.014 1.00 0.00 H new ATOM 0 HA TYR A 14 2.064 5.804 9.481 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.123 7.416 7.184 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.053 7.819 8.888 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.809 7.036 10.436 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.996 6.109 6.281 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.167 6.398 10.684 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.351 5.465 6.528 1.00 0.00 H new ATOM 0 HH TYR A 14 9.074 5.245 7.894 1.00 0.00 H new ATOM 181 N LYS A 15 0.236 7.092 8.105 1.00 0.00 N ATOM 182 CA LYS A 15 -1.026 7.435 7.460 1.00 0.00 C ATOM 183 C LYS A 15 -0.790 8.313 6.235 1.00 0.00 C ATOM 184 O LYS A 15 0.106 9.158 6.228 1.00 0.00 O ATOM 185 CB LYS A 15 -1.947 8.156 8.447 1.00 0.00 C ATOM 186 CG LYS A 15 -3.067 8.934 7.777 1.00 0.00 C ATOM 187 CD LYS A 15 -4.120 9.372 8.780 1.00 0.00 C ATOM 188 CE LYS A 15 -5.222 10.182 8.115 1.00 0.00 C ATOM 189 NZ LYS A 15 -6.488 10.144 8.897 1.00 0.00 N ATOM 0 H LYS A 15 0.462 7.663 8.919 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.503 6.510 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.381 7.423 9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.352 8.840 9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.654 9.810 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.531 8.316 7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.552 8.495 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.652 9.968 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.895 11.216 8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.403 9.794 7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.214 10.708 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.814 9.160 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.322 10.537 9.845 1.00 0.00 H new ATOM 203 N PHE A 16 -1.598 8.107 5.201 1.00 0.00 N ATOM 204 CA PHE A 16 -1.477 8.880 3.970 1.00 0.00 C ATOM 205 C PHE A 16 -2.721 9.733 3.738 1.00 0.00 C ATOM 206 O PHE A 16 -3.847 9.274 3.933 1.00 0.00 O ATOM 207 CB PHE A 16 -1.254 7.948 2.777 1.00 0.00 C ATOM 208 CG PHE A 16 -0.934 8.674 1.502 1.00 0.00 C ATOM 209 CD1 PHE A 16 -1.947 9.167 0.696 1.00 0.00 C ATOM 210 CD2 PHE A 16 0.381 8.862 1.108 1.00 0.00 C ATOM 211 CE1 PHE A 16 -1.655 9.834 -0.478 1.00 0.00 C ATOM 212 CE2 PHE A 16 0.680 9.529 -0.066 1.00 0.00 C ATOM 213 CZ PHE A 16 -0.340 10.016 -0.859 1.00 0.00 C ATOM 0 H PHE A 16 -2.344 7.411 5.190 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.617 9.543 4.070 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.440 7.262 3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.148 7.343 2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.977 9.028 0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.182 8.483 1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.454 10.213 -1.097 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.709 9.669 -0.362 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.110 10.538 -1.776 1.00 0.00 H new ATOM 223 N VAL A 17 -2.510 10.977 3.321 1.00 0.00 N ATOM 224 CA VAL A 17 -3.613 11.894 3.062 1.00 0.00 C ATOM 225 C VAL A 17 -3.744 12.189 1.572 1.00 0.00 C ATOM 226 O VAL A 17 -3.072 13.065 1.026 1.00 0.00 O ATOM 227 CB VAL A 17 -3.430 13.221 3.822 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.607 14.150 3.567 1.00 0.00 C ATOM 229 CG2 VAL A 17 -3.259 12.962 5.312 1.00 0.00 C ATOM 0 H VAL A 17 -1.585 11.373 3.155 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.521 11.404 3.414 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.527 13.708 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.460 15.082 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.679 14.361 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.527 13.673 3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.131 13.910 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.143 12.453 5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.381 12.337 5.474 1.00 0.00 H new ATOM 239 N PRO A 18 -4.630 11.442 0.896 1.00 0.00 N ATOM 240 CA PRO A 18 -4.871 11.606 -0.540 1.00 0.00 C ATOM 241 C PRO A 18 -5.581 12.916 -0.863 1.00 0.00 C ATOM 242 O PRO A 18 -6.684 13.169 -0.379 1.00 0.00 O ATOM 243 CB PRO A 18 -5.764 10.413 -0.888 1.00 0.00 C ATOM 244 CG PRO A 18 -6.447 10.066 0.390 1.00 0.00 C ATOM 245 CD PRO A 18 -5.464 10.381 1.483 1.00 0.00 C ATOM 0 HA PRO A 18 -3.941 11.640 -1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.484 10.671 -1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.177 9.575 -1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.364 10.643 0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.728 9.013 0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.966 10.720 2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.871 9.508 1.754 1.00 0.00 H new ATOM 253 N GLN A 19 -4.943 13.743 -1.684 1.00 0.00 N ATOM 254 CA GLN A 19 -5.515 15.027 -2.071 1.00 0.00 C ATOM 255 C GLN A 19 -6.633 14.840 -3.091 1.00 0.00 C ATOM 256 O GLN A 19 -7.579 15.625 -3.140 1.00 0.00 O ATOM 257 CB GLN A 19 -4.431 15.940 -2.647 1.00 0.00 C ATOM 258 CG GLN A 19 -4.976 17.219 -3.262 1.00 0.00 C ATOM 259 CD GLN A 19 -5.099 18.345 -2.254 1.00 0.00 C ATOM 260 OE1 GLN A 19 -5.407 18.115 -1.084 1.00 0.00 O ATOM 261 NE2 GLN A 19 -4.859 19.571 -2.704 1.00 0.00 N ATOM 0 H GLN A 19 -4.030 13.547 -2.094 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.935 15.492 -1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.727 16.198 -1.856 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.871 15.392 -3.405 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.322 17.534 -4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.954 17.019 -3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.607 19.715 -3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.927 20.369 -2.072 1.00 0.00 H new ATOM 270 N GLU A 20 -6.516 13.795 -3.905 1.00 0.00 N ATOM 271 CA GLU A 20 -7.518 13.506 -4.925 1.00 0.00 C ATOM 272 C GLU A 20 -7.869 12.021 -4.937 1.00 0.00 C ATOM 273 O GLU A 20 -7.101 11.187 -4.460 1.00 0.00 O ATOM 274 CB GLU A 20 -7.010 13.932 -6.304 1.00 0.00 C ATOM 275 CG GLU A 20 -7.288 15.390 -6.631 1.00 0.00 C ATOM 276 CD GLU A 20 -7.029 15.721 -8.088 1.00 0.00 C ATOM 277 OE1 GLU A 20 -7.840 15.307 -8.943 1.00 0.00 O ATOM 278 OE2 GLU A 20 -6.016 16.393 -8.373 1.00 0.00 O ATOM 0 H GLU A 20 -5.738 13.135 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.418 14.073 -4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.936 13.755 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.475 13.303 -7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.325 15.621 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.664 16.025 -6.002 1.00 0.00 H new ATOM 285 N ASN A 21 -9.037 11.700 -5.485 1.00 0.00 N ATOM 286 CA ASN A 21 -9.492 10.316 -5.559 1.00 0.00 C ATOM 287 C ASN A 21 -8.355 9.392 -5.984 1.00 0.00 C ATOM 288 O ASN A 21 -8.104 8.368 -5.349 1.00 0.00 O ATOM 289 CB ASN A 21 -10.659 10.193 -6.540 1.00 0.00 C ATOM 290 CG ASN A 21 -11.989 10.551 -5.905 1.00 0.00 C ATOM 291 OD1 ASN A 21 -12.099 11.547 -5.189 1.00 0.00 O ATOM 292 ND2 ASN A 21 -13.006 9.739 -6.165 1.00 0.00 N ATOM 0 H ASN A 21 -9.685 12.379 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.828 10.016 -4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.481 10.845 -7.396 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.704 9.173 -6.920 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.925 9.929 -5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.868 8.925 -6.764 1.00 0.00 H new ATOM 299 N GLU A 22 -7.671 9.761 -7.063 1.00 0.00 N ATOM 300 CA GLU A 22 -6.562 8.964 -7.573 1.00 0.00 C ATOM 301 C GLU A 22 -5.701 8.435 -6.429 1.00 0.00 C ATOM 302 O GLU A 22 -5.352 7.255 -6.395 1.00 0.00 O ATOM 303 CB GLU A 22 -5.704 9.796 -8.528 1.00 0.00 C ATOM 304 CG GLU A 22 -6.467 10.319 -9.733 1.00 0.00 C ATOM 305 CD GLU A 22 -7.259 9.234 -10.438 1.00 0.00 C ATOM 306 OE1 GLU A 22 -6.683 8.554 -11.313 1.00 0.00 O ATOM 307 OE2 GLU A 22 -8.453 9.065 -10.115 1.00 0.00 O ATOM 0 H GLU A 22 -7.866 10.606 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.978 8.115 -8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.281 10.640 -7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.867 9.189 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.146 11.110 -9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.765 10.767 -10.437 1.00 0.00 H new ATOM 314 N ASP A 23 -5.363 9.316 -5.495 1.00 0.00 N ATOM 315 CA ASP A 23 -4.543 8.939 -4.349 1.00 0.00 C ATOM 316 C ASP A 23 -5.294 7.971 -3.439 1.00 0.00 C ATOM 317 O ASP A 23 -6.522 8.008 -3.354 1.00 0.00 O ATOM 318 CB ASP A 23 -4.129 10.182 -3.559 1.00 0.00 C ATOM 319 CG ASP A 23 -3.087 11.008 -4.287 1.00 0.00 C ATOM 320 OD1 ASP A 23 -1.952 10.516 -4.457 1.00 0.00 O ATOM 321 OD2 ASP A 23 -3.406 12.148 -4.685 1.00 0.00 O ATOM 0 H ASP A 23 -5.644 10.296 -5.508 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.648 8.441 -4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.008 10.797 -3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.735 9.878 -2.589 1.00 0.00 H new ATOM 326 N LEU A 24 -4.548 7.104 -2.763 1.00 0.00 N ATOM 327 CA LEU A 24 -5.143 6.124 -1.860 1.00 0.00 C ATOM 328 C LEU A 24 -4.878 6.494 -0.404 1.00 0.00 C ATOM 329 O LEU A 24 -3.789 6.952 -0.059 1.00 0.00 O ATOM 330 CB LEU A 24 -4.589 4.729 -2.153 1.00 0.00 C ATOM 331 CG LEU A 24 -4.551 3.760 -0.971 1.00 0.00 C ATOM 332 CD1 LEU A 24 -5.951 3.268 -0.639 1.00 0.00 C ATOM 333 CD2 LEU A 24 -3.629 2.587 -1.272 1.00 0.00 C ATOM 0 H LEU A 24 -3.531 7.059 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.221 6.122 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.189 4.281 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.576 4.836 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.159 4.291 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.904 2.579 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.583 4.117 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.371 2.754 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.614 1.908 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.991 2.056 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.621 2.956 -1.459 1.00 0.00 H new ATOM 345 N GLU A 25 -5.880 6.290 0.445 1.00 0.00 N ATOM 346 CA GLU A 25 -5.754 6.601 1.864 1.00 0.00 C ATOM 347 C GLU A 25 -5.339 5.365 2.657 1.00 0.00 C ATOM 348 O GLU A 25 -5.904 4.285 2.484 1.00 0.00 O ATOM 349 CB GLU A 25 -7.074 7.150 2.408 1.00 0.00 C ATOM 350 CG GLU A 25 -6.903 8.072 3.604 1.00 0.00 C ATOM 351 CD GLU A 25 -8.165 8.849 3.926 1.00 0.00 C ATOM 352 OE1 GLU A 25 -9.099 8.253 4.501 1.00 0.00 O ATOM 353 OE2 GLU A 25 -8.217 10.055 3.603 1.00 0.00 O ATOM 0 H GLU A 25 -6.788 5.911 0.175 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.980 7.360 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.588 7.691 1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.715 6.316 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.612 7.483 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.091 8.771 3.406 1.00 0.00 H new ATOM 360 N MET A 26 -4.348 5.532 3.526 1.00 0.00 N ATOM 361 CA MET A 26 -3.857 4.430 4.347 1.00 0.00 C ATOM 362 C MET A 26 -3.542 4.905 5.762 1.00 0.00 C ATOM 363 O MET A 26 -3.423 6.104 6.012 1.00 0.00 O ATOM 364 CB MET A 26 -2.610 3.811 3.714 1.00 0.00 C ATOM 365 CG MET A 26 -1.759 4.810 2.946 1.00 0.00 C ATOM 366 SD MET A 26 -0.515 4.012 1.913 1.00 0.00 S ATOM 367 CE MET A 26 0.902 5.065 2.215 1.00 0.00 C ATOM 0 H MET A 26 -3.869 6.419 3.680 1.00 0.00 H new ATOM 0 HA MET A 26 -4.640 3.674 4.403 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.003 3.355 4.497 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.914 3.011 3.039 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.405 5.426 2.320 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.266 5.479 3.651 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.818 4.497 2.054 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.877 5.914 1.532 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.875 5.426 3.243 1.00 0.00 H new ATOM 377 N ARG A 27 -3.408 3.956 6.683 1.00 0.00 N ATOM 378 CA ARG A 27 -3.108 4.278 8.073 1.00 0.00 C ATOM 379 C ARG A 27 -2.013 3.365 8.618 1.00 0.00 C ATOM 380 O ARG A 27 -1.766 2.275 8.102 1.00 0.00 O ATOM 381 CB ARG A 27 -4.367 4.151 8.931 1.00 0.00 C ATOM 382 CG ARG A 27 -5.274 3.003 8.517 1.00 0.00 C ATOM 383 CD ARG A 27 -6.712 3.246 8.947 1.00 0.00 C ATOM 384 NE ARG A 27 -6.862 3.217 10.399 1.00 0.00 N ATOM 385 CZ ARG A 27 -7.993 3.519 11.027 1.00 0.00 C ATOM 386 NH1 ARG A 27 -9.067 3.870 10.333 1.00 0.00 N ATOM 387 NH2 ARG A 27 -8.051 3.469 12.352 1.00 0.00 N ATOM 0 H ARG A 27 -3.502 2.959 6.492 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.752 5.307 8.113 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.075 4.014 9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.928 5.084 8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.233 2.877 7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.913 2.075 8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.045 4.212 8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.357 2.489 8.501 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.054 2.950 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.026 3.909 9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.934 4.101 10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.227 3.199 12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.920 3.701 12.834 1.00 0.00 H new ATOM 401 N PRO A 28 -1.341 3.819 9.686 1.00 0.00 N ATOM 402 CA PRO A 28 -0.262 3.059 10.325 1.00 0.00 C ATOM 403 C PRO A 28 -0.777 1.822 11.052 1.00 0.00 C ATOM 404 O PRO A 28 -1.150 1.889 12.223 1.00 0.00 O ATOM 405 CB PRO A 28 0.333 4.057 11.321 1.00 0.00 C ATOM 406 CG PRO A 28 -0.779 5.004 11.619 1.00 0.00 C ATOM 407 CD PRO A 28 -1.583 5.110 10.353 1.00 0.00 C ATOM 0 HA PRO A 28 0.457 2.682 9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.679 3.556 12.225 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.192 4.576 10.896 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.393 4.638 12.442 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.392 5.978 11.918 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.642 5.262 10.561 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.255 5.948 9.738 1.00 0.00 H new ATOM 415 N GLY A 29 -0.795 0.693 10.351 1.00 0.00 N ATOM 416 CA GLY A 29 -1.265 -0.544 10.947 1.00 0.00 C ATOM 417 C GLY A 29 -2.224 -1.295 10.044 1.00 0.00 C ATOM 418 O GLY A 29 -2.796 -2.309 10.443 1.00 0.00 O ATOM 0 H GLY A 29 -0.492 0.613 9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.411 -1.181 11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.759 -0.323 11.893 1.00 0.00 H new ATOM 422 N ASP A 30 -2.401 -0.795 8.826 1.00 0.00 N ATOM 423 CA ASP A 30 -3.297 -1.426 7.864 1.00 0.00 C ATOM 424 C ASP A 30 -2.531 -2.377 6.950 1.00 0.00 C ATOM 425 O ASP A 30 -1.310 -2.284 6.825 1.00 0.00 O ATOM 426 CB ASP A 30 -4.013 -0.363 7.030 1.00 0.00 C ATOM 427 CG ASP A 30 -5.295 0.118 7.681 1.00 0.00 C ATOM 428 OD1 ASP A 30 -5.523 -0.218 8.862 1.00 0.00 O ATOM 429 OD2 ASP A 30 -6.070 0.831 7.009 1.00 0.00 O ATOM 0 H ASP A 30 -1.936 0.045 8.482 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.038 -2.002 8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.346 0.485 6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.240 -0.771 6.045 1.00 0.00 H new ATOM 434 N ILE A 31 -3.257 -3.291 6.315 1.00 0.00 N ATOM 435 CA ILE A 31 -2.645 -4.259 5.413 1.00 0.00 C ATOM 436 C ILE A 31 -2.989 -3.950 3.960 1.00 0.00 C ATOM 437 O ILE A 31 -4.154 -3.987 3.565 1.00 0.00 O ATOM 438 CB ILE A 31 -3.095 -5.696 5.740 1.00 0.00 C ATOM 439 CG1 ILE A 31 -2.884 -5.993 7.226 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.336 -6.696 4.881 1.00 0.00 C ATOM 441 CD1 ILE A 31 -1.501 -6.515 7.548 1.00 0.00 C ATOM 0 H ILE A 31 -4.269 -3.382 6.408 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.567 -4.183 5.553 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.158 -5.789 5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.062 -5.083 7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.624 -6.724 7.551 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.664 -7.707 5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.532 -6.493 3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.267 -6.605 5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.423 -6.703 8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.326 -7.442 7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.756 -5.776 7.255 1.00 0.00 H new ATOM 453 N ILE A 32 -1.966 -3.646 3.168 1.00 0.00 N ATOM 454 CA ILE A 32 -2.159 -3.333 1.757 1.00 0.00 C ATOM 455 C ILE A 32 -1.712 -4.491 0.871 1.00 0.00 C ATOM 456 O ILE A 32 -0.697 -5.136 1.137 1.00 0.00 O ATOM 457 CB ILE A 32 -1.388 -2.063 1.352 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.852 -0.869 2.188 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.574 -1.782 -0.132 1.00 0.00 C ATOM 460 CD1 ILE A 32 -0.787 0.188 2.376 1.00 0.00 C ATOM 0 H ILE A 32 -0.995 -3.610 3.479 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.226 -3.161 1.614 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.327 -2.224 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.721 -0.417 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.176 -1.225 3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.023 -0.881 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.199 -2.625 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.633 -1.638 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.187 1.004 2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.074 -0.249 2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.480 0.572 1.403 1.00 0.00 H new ATOM 472 N THR A 33 -2.476 -4.749 -0.186 1.00 0.00 N ATOM 473 CA THR A 33 -2.159 -5.828 -1.113 1.00 0.00 C ATOM 474 C THR A 33 -1.510 -5.290 -2.383 1.00 0.00 C ATOM 475 O THR A 33 -2.192 -4.780 -3.273 1.00 0.00 O ATOM 476 CB THR A 33 -3.418 -6.630 -1.493 1.00 0.00 C ATOM 477 OG1 THR A 33 -4.150 -6.980 -0.314 1.00 0.00 O ATOM 478 CG2 THR A 33 -3.046 -7.891 -2.259 1.00 0.00 C ATOM 0 H THR A 33 -3.319 -4.225 -0.421 1.00 0.00 H new ATOM 0 HA THR A 33 -1.458 -6.487 -0.602 1.00 0.00 H new ATOM 0 HB THR A 33 -4.040 -6.005 -2.134 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.950 -7.488 -0.564 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.951 -8.441 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.515 -7.619 -3.171 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.405 -8.518 -1.639 1.00 0.00 H new ATOM 486 N LEU A 34 -0.189 -5.406 -2.462 1.00 0.00 N ATOM 487 CA LEU A 34 0.553 -4.931 -3.625 1.00 0.00 C ATOM 488 C LEU A 34 0.147 -5.697 -4.880 1.00 0.00 C ATOM 489 O LEU A 34 0.356 -6.907 -4.976 1.00 0.00 O ATOM 490 CB LEU A 34 2.057 -5.076 -3.389 1.00 0.00 C ATOM 491 CG LEU A 34 2.958 -4.165 -4.222 1.00 0.00 C ATOM 492 CD1 LEU A 34 2.870 -2.729 -3.727 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.398 -4.656 -4.182 1.00 0.00 C ATOM 0 H LEU A 34 0.390 -5.825 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 34 0.315 -3.878 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.259 -4.887 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.337 -6.110 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 34 2.614 -4.194 -5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.518 -2.095 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.841 -2.378 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.188 -2.683 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.025 -3.995 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.753 -4.658 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.449 -5.667 -4.585 1.00 0.00 H new ATOM 505 N LEU A 35 -0.433 -4.985 -5.840 1.00 0.00 N ATOM 506 CA LEU A 35 -0.866 -5.598 -7.091 1.00 0.00 C ATOM 507 C LEU A 35 0.080 -5.236 -8.231 1.00 0.00 C ATOM 508 O LEU A 35 0.489 -6.098 -9.008 1.00 0.00 O ATOM 509 CB LEU A 35 -2.289 -5.152 -7.433 1.00 0.00 C ATOM 510 CG LEU A 35 -3.302 -5.201 -6.289 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.575 -4.463 -6.671 1.00 0.00 C ATOM 512 CD2 LEU A 35 -3.612 -6.643 -5.913 1.00 0.00 C ATOM 0 H LEU A 35 -0.614 -3.983 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.851 -6.680 -6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.247 -4.130 -7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.659 -5.777 -8.246 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.866 -4.706 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.284 -4.509 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.340 -3.421 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.015 -4.929 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.335 -6.659 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.028 -7.163 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.696 -7.141 -5.596 1.00 0.00 H new ATOM 524 N GLU A 36 0.427 -3.956 -8.322 1.00 0.00 N ATOM 525 CA GLU A 36 1.327 -3.481 -9.366 1.00 0.00 C ATOM 526 C GLU A 36 2.609 -2.914 -8.763 1.00 0.00 C ATOM 527 O GLU A 36 2.567 -2.106 -7.835 1.00 0.00 O ATOM 528 CB GLU A 36 0.637 -2.415 -10.220 1.00 0.00 C ATOM 529 CG GLU A 36 1.188 -2.315 -11.632 1.00 0.00 C ATOM 530 CD GLU A 36 0.665 -3.410 -12.542 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.565 -3.471 -12.750 1.00 0.00 O ATOM 532 OE2 GLU A 36 1.485 -4.205 -13.045 1.00 0.00 O ATOM 0 H GLU A 36 0.099 -3.230 -7.686 1.00 0.00 H new ATOM 0 HA GLU A 36 1.588 -4.330 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.429 -2.636 -10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.739 -1.447 -9.730 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.927 -1.344 -12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.276 -2.365 -11.598 1.00 0.00 H new ATOM 539 N ASP A 37 3.747 -3.344 -9.297 1.00 0.00 N ATOM 540 CA ASP A 37 5.042 -2.879 -8.813 1.00 0.00 C ATOM 541 C ASP A 37 5.931 -2.442 -9.973 1.00 0.00 C ATOM 542 O ASP A 37 7.154 -2.389 -9.845 1.00 0.00 O ATOM 543 CB ASP A 37 5.735 -3.981 -8.010 1.00 0.00 C ATOM 544 CG ASP A 37 6.105 -5.176 -8.866 1.00 0.00 C ATOM 545 OD1 ASP A 37 5.198 -5.757 -9.499 1.00 0.00 O ATOM 546 OD2 ASP A 37 7.301 -5.531 -8.905 1.00 0.00 O ATOM 0 H ASP A 37 3.799 -4.013 -10.065 1.00 0.00 H new ATOM 0 HA ASP A 37 4.873 -2.019 -8.165 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.635 -3.577 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.079 -4.306 -7.203 1.00 0.00 H new ATOM 551 N SER A 38 5.307 -2.132 -11.105 1.00 0.00 N ATOM 552 CA SER A 38 6.042 -1.704 -12.290 1.00 0.00 C ATOM 553 C SER A 38 7.038 -0.601 -11.943 1.00 0.00 C ATOM 554 O SER A 38 8.176 -0.607 -12.412 1.00 0.00 O ATOM 555 CB SER A 38 5.074 -1.211 -13.367 1.00 0.00 C ATOM 556 OG SER A 38 4.423 -2.297 -14.003 1.00 0.00 O ATOM 0 H SER A 38 4.295 -2.169 -11.227 1.00 0.00 H new ATOM 0 HA SER A 38 6.595 -2.562 -12.673 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.332 -0.550 -12.919 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.617 -0.624 -14.108 1.00 0.00 H new ATOM 0 HG SER A 38 3.809 -1.956 -14.686 1.00 0.00 H new ATOM 562 N ASN A 39 6.601 0.344 -11.117 1.00 0.00 N ATOM 563 CA ASN A 39 7.453 1.454 -10.707 1.00 0.00 C ATOM 564 C ASN A 39 8.297 1.073 -9.494 1.00 0.00 C ATOM 565 O ASN A 39 8.174 -0.031 -8.963 1.00 0.00 O ATOM 566 CB ASN A 39 6.603 2.684 -10.383 1.00 0.00 C ATOM 567 CG ASN A 39 5.519 2.926 -11.417 1.00 0.00 C ATOM 568 OD1 ASN A 39 4.520 2.209 -11.463 1.00 0.00 O ATOM 569 ND2 ASN A 39 5.714 3.940 -12.252 1.00 0.00 N ATOM 0 H ASN A 39 5.662 0.363 -10.719 1.00 0.00 H new ATOM 0 HA ASN A 39 8.122 1.690 -11.534 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.144 2.557 -9.402 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.247 3.562 -10.323 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.020 4.151 -12.969 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.558 4.508 -12.176 1.00 0.00 H new ATOM 576 N GLU A 40 9.153 1.993 -9.063 1.00 0.00 N ATOM 577 CA GLU A 40 10.017 1.753 -7.913 1.00 0.00 C ATOM 578 C GLU A 40 9.692 2.717 -6.776 1.00 0.00 C ATOM 579 O GLU A 40 9.702 2.339 -5.605 1.00 0.00 O ATOM 580 CB GLU A 40 11.487 1.897 -8.313 1.00 0.00 C ATOM 581 CG GLU A 40 12.438 1.945 -7.129 1.00 0.00 C ATOM 582 CD GLU A 40 12.711 0.572 -6.544 1.00 0.00 C ATOM 583 OE1 GLU A 40 11.737 -0.162 -6.277 1.00 0.00 O ATOM 584 OE2 GLU A 40 13.897 0.233 -6.353 1.00 0.00 O ATOM 0 H GLU A 40 9.267 2.911 -9.492 1.00 0.00 H new ATOM 0 HA GLU A 40 9.840 0.735 -7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.763 1.062 -8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.607 2.806 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.380 2.396 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.018 2.588 -6.356 1.00 0.00 H new ATOM 591 N ASP A 41 9.404 3.965 -7.131 1.00 0.00 N ATOM 592 CA ASP A 41 9.074 4.984 -6.141 1.00 0.00 C ATOM 593 C ASP A 41 7.694 4.733 -5.541 1.00 0.00 C ATOM 594 O ASP A 41 7.572 4.384 -4.367 1.00 0.00 O ATOM 595 CB ASP A 41 9.123 6.375 -6.775 1.00 0.00 C ATOM 596 CG ASP A 41 10.389 6.602 -7.578 1.00 0.00 C ATOM 597 OD1 ASP A 41 10.983 5.606 -8.041 1.00 0.00 O ATOM 598 OD2 ASP A 41 10.787 7.774 -7.741 1.00 0.00 O ATOM 0 H ASP A 41 9.392 4.295 -8.096 1.00 0.00 H new ATOM 0 HA ASP A 41 9.813 4.931 -5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.257 6.506 -7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.052 7.130 -5.992 1.00 0.00 H new ATOM 603 N TRP A 42 6.660 4.915 -6.354 1.00 0.00 N ATOM 604 CA TRP A 42 5.288 4.710 -5.903 1.00 0.00 C ATOM 605 C TRP A 42 4.734 3.390 -6.429 1.00 0.00 C ATOM 606 O TRP A 42 4.978 3.018 -7.576 1.00 0.00 O ATOM 607 CB TRP A 42 4.400 5.868 -6.359 1.00 0.00 C ATOM 608 CG TRP A 42 4.739 7.172 -5.701 1.00 0.00 C ATOM 609 CD1 TRP A 42 5.979 7.731 -5.582 1.00 0.00 C ATOM 610 CD2 TRP A 42 3.827 8.076 -5.070 1.00 0.00 C ATOM 611 NE1 TRP A 42 5.892 8.930 -4.915 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.582 9.164 -4.591 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.444 8.074 -4.864 1.00 0.00 C ATOM 614 CZ2 TRP A 42 4.000 10.236 -3.920 1.00 0.00 C ATOM 615 CZ3 TRP A 42 1.868 9.138 -4.197 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.645 10.208 -3.732 1.00 0.00 C ATOM 0 H TRP A 42 6.745 5.204 -7.329 1.00 0.00 H new ATOM 0 HA TRP A 42 5.292 4.673 -4.814 1.00 0.00 H new ATOM 0 HB2 TRP A 42 4.489 5.981 -7.440 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.359 5.623 -6.148 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.893 7.295 -5.957 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.676 9.545 -4.697 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.837 7.255 -5.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.597 11.061 -3.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.801 9.145 -4.031 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.165 11.026 -3.215 1.00 0.00 H new ATOM 627 N TRP A 43 3.988 2.688 -5.584 1.00 0.00 N ATOM 628 CA TRP A 43 3.399 1.410 -5.965 1.00 0.00 C ATOM 629 C TRP A 43 1.881 1.445 -5.823 1.00 0.00 C ATOM 630 O TRP A 43 1.326 2.356 -5.208 1.00 0.00 O ATOM 631 CB TRP A 43 3.977 0.282 -5.108 1.00 0.00 C ATOM 632 CG TRP A 43 5.442 0.059 -5.331 1.00 0.00 C ATOM 633 CD1 TRP A 43 6.143 0.302 -6.477 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.384 -0.454 -4.383 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.465 -0.029 -6.299 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.639 -0.495 -5.023 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.291 -0.882 -3.056 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.788 -0.947 -4.379 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.433 -1.330 -2.419 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.667 -1.359 -3.080 1.00 0.00 C ATOM 0 H TRP A 43 3.777 2.982 -4.631 1.00 0.00 H new ATOM 0 HA TRP A 43 3.643 1.224 -7.011 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.807 0.511 -4.056 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.439 -0.641 -5.324 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.721 0.696 -7.389 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.198 0.058 -7.003 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.344 -0.863 -2.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.741 -0.971 -4.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.372 -1.663 -1.394 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.541 -1.714 -2.554 1.00 0.00 H new ATOM 651 N LYS A 44 1.214 0.449 -6.396 1.00 0.00 N ATOM 652 CA LYS A 44 -0.240 0.365 -6.332 1.00 0.00 C ATOM 653 C LYS A 44 -0.681 -0.871 -5.554 1.00 0.00 C ATOM 654 O LYS A 44 0.020 -1.882 -5.529 1.00 0.00 O ATOM 655 CB LYS A 44 -0.832 0.331 -7.743 1.00 0.00 C ATOM 656 CG LYS A 44 -2.343 0.484 -7.773 1.00 0.00 C ATOM 657 CD LYS A 44 -2.865 0.590 -9.196 1.00 0.00 C ATOM 658 CE LYS A 44 -4.383 0.676 -9.228 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.903 0.782 -10.619 1.00 0.00 N ATOM 0 H LYS A 44 1.658 -0.312 -6.910 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.607 1.250 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.383 1.128 -8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.561 -0.612 -8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.806 -0.369 -7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.631 1.373 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.439 1.471 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.536 -0.276 -9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.807 -0.206 -8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.710 1.541 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.941 0.838 -10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.519 1.637 -11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.613 -0.056 -11.163 1.00 0.00 H new ATOM 673 N GLY A 45 -1.847 -0.783 -4.921 1.00 0.00 N ATOM 674 CA GLY A 45 -2.360 -1.902 -4.153 1.00 0.00 C ATOM 675 C GLY A 45 -3.861 -1.829 -3.956 1.00 0.00 C ATOM 676 O GLY A 45 -4.548 -1.062 -4.631 1.00 0.00 O ATOM 0 H GLY A 45 -2.445 0.043 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.108 -2.833 -4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.870 -1.926 -3.180 1.00 0.00 H new ATOM 680 N LYS A 46 -4.374 -2.632 -3.030 1.00 0.00 N ATOM 681 CA LYS A 46 -5.804 -2.657 -2.746 1.00 0.00 C ATOM 682 C LYS A 46 -6.059 -2.759 -1.245 1.00 0.00 C ATOM 683 O LYS A 46 -5.689 -3.746 -0.609 1.00 0.00 O ATOM 684 CB LYS A 46 -6.468 -3.833 -3.467 1.00 0.00 C ATOM 685 CG LYS A 46 -7.916 -4.053 -3.066 1.00 0.00 C ATOM 686 CD LYS A 46 -8.451 -5.368 -3.609 1.00 0.00 C ATOM 687 CE LYS A 46 -8.589 -5.330 -5.124 1.00 0.00 C ATOM 688 NZ LYS A 46 -9.883 -4.726 -5.548 1.00 0.00 N ATOM 0 H LYS A 46 -3.820 -3.274 -2.463 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.237 -1.725 -3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.419 -3.663 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.901 -4.741 -3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.999 -4.046 -1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.526 -3.230 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.782 -6.180 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.421 -5.581 -3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.764 -4.758 -5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.513 -6.342 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.939 -4.718 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.670 -5.286 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.945 -3.751 -5.191 1.00 0.00 H new ATOM 702 N ILE A 47 -6.693 -1.734 -0.687 1.00 0.00 N ATOM 703 CA ILE A 47 -6.999 -1.710 0.738 1.00 0.00 C ATOM 704 C ILE A 47 -8.392 -2.268 1.011 1.00 0.00 C ATOM 705 O ILE A 47 -9.224 -2.354 0.108 1.00 0.00 O ATOM 706 CB ILE A 47 -6.910 -0.283 1.310 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.470 0.229 1.239 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.418 -0.253 2.743 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.221 1.454 2.090 1.00 0.00 C ATOM 0 H ILE A 47 -7.005 -0.909 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.255 -2.337 1.230 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.540 0.373 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.794 -0.566 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.226 0.461 0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.348 0.763 3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.457 -0.581 2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.813 -0.920 3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.180 1.761 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.871 2.264 1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.432 1.221 3.134 1.00 0.00 H new ATOM 721 N GLN A 48 -8.638 -2.645 2.261 1.00 0.00 N ATOM 722 CA GLN A 48 -9.931 -3.194 2.653 1.00 0.00 C ATOM 723 C GLN A 48 -11.061 -2.542 1.863 1.00 0.00 C ATOM 724 O GLN A 48 -11.666 -3.168 0.993 1.00 0.00 O ATOM 725 CB GLN A 48 -10.160 -2.997 4.152 1.00 0.00 C ATOM 726 CG GLN A 48 -9.210 -3.802 5.024 1.00 0.00 C ATOM 727 CD GLN A 48 -9.723 -3.975 6.440 1.00 0.00 C ATOM 728 OE1 GLN A 48 -10.432 -4.935 6.743 1.00 0.00 O ATOM 729 NE2 GLN A 48 -9.366 -3.044 7.317 1.00 0.00 N ATOM 0 H GLN A 48 -7.959 -2.581 3.020 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.926 -4.261 2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.052 -1.939 4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.186 -3.275 4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.054 -4.783 4.576 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.240 -3.306 5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.777 -2.265 7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.681 -3.108 8.285 1.00 0.00 H new ATOM 738 N ASP A 49 -11.341 -1.281 2.174 1.00 0.00 N ATOM 739 CA ASP A 49 -12.398 -0.543 1.493 1.00 0.00 C ATOM 740 C ASP A 49 -11.830 0.669 0.760 1.00 0.00 C ATOM 741 O ASP A 49 -12.571 1.561 0.347 1.00 0.00 O ATOM 742 CB ASP A 49 -13.464 -0.095 2.495 1.00 0.00 C ATOM 743 CG ASP A 49 -14.398 -1.222 2.889 1.00 0.00 C ATOM 744 OD1 ASP A 49 -13.909 -2.235 3.431 1.00 0.00 O ATOM 745 OD2 ASP A 49 -15.618 -1.091 2.656 1.00 0.00 O ATOM 0 H ASP A 49 -10.851 -0.749 2.893 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.856 -1.207 0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.977 0.298 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.045 0.720 2.063 1.00 0.00 H new ATOM 750 N ARG A 50 -10.511 0.693 0.602 1.00 0.00 N ATOM 751 CA ARG A 50 -9.843 1.796 -0.079 1.00 0.00 C ATOM 752 C ARG A 50 -8.992 1.284 -1.237 1.00 0.00 C ATOM 753 O ARG A 50 -8.542 0.138 -1.230 1.00 0.00 O ATOM 754 CB ARG A 50 -8.969 2.576 0.905 1.00 0.00 C ATOM 755 CG ARG A 50 -9.738 3.601 1.723 1.00 0.00 C ATOM 756 CD ARG A 50 -9.856 4.926 0.987 1.00 0.00 C ATOM 757 NE ARG A 50 -11.006 4.952 0.086 1.00 0.00 N ATOM 758 CZ ARG A 50 -12.267 4.955 0.504 1.00 0.00 C ATOM 759 NH1 ARG A 50 -12.539 4.935 1.801 1.00 0.00 N ATOM 760 NH2 ARG A 50 -13.259 4.979 -0.377 1.00 0.00 N ATOM 0 H ARG A 50 -9.884 -0.038 0.936 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.609 2.460 -0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.483 1.873 1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.179 3.084 0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -10.734 3.217 1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.236 3.757 2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.944 5.736 1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.945 5.106 0.417 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.831 4.969 -0.919 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.779 4.917 2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.508 4.937 2.119 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.054 4.995 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.227 4.981 -0.055 1.00 0.00 H new ATOM 774 N ILE A 51 -8.775 2.141 -2.229 1.00 0.00 N ATOM 775 CA ILE A 51 -7.978 1.775 -3.393 1.00 0.00 C ATOM 776 C ILE A 51 -7.311 3.000 -4.010 1.00 0.00 C ATOM 777 O ILE A 51 -7.820 4.115 -3.905 1.00 0.00 O ATOM 778 CB ILE A 51 -8.835 1.077 -4.466 1.00 0.00 C ATOM 779 CG1 ILE A 51 -9.842 0.131 -3.809 1.00 0.00 C ATOM 780 CG2 ILE A 51 -7.947 0.319 -5.442 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.842 -0.457 -4.780 1.00 0.00 C ATOM 0 H ILE A 51 -9.140 3.093 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.211 1.083 -3.045 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.386 1.836 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.301 -0.680 -3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.379 0.670 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.567 -0.169 -6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.265 1.016 -5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.372 -0.433 -4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.524 -1.117 -4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.409 0.347 -5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.314 -1.025 -5.546 1.00 0.00 H new ATOM 793 N GLY A 52 -6.169 2.784 -4.655 1.00 0.00 N ATOM 794 CA GLY A 52 -5.451 3.879 -5.281 1.00 0.00 C ATOM 795 C GLY A 52 -3.947 3.717 -5.185 1.00 0.00 C ATOM 796 O GLY A 52 -3.455 2.681 -4.738 1.00 0.00 O ATOM 0 H GLY A 52 -5.728 1.870 -4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.740 3.946 -6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.743 4.817 -4.809 1.00 0.00 H new ATOM 800 N PHE A 53 -3.215 4.742 -5.608 1.00 0.00 N ATOM 801 CA PHE A 53 -1.758 4.707 -5.571 1.00 0.00 C ATOM 802 C PHE A 53 -1.236 5.214 -4.230 1.00 0.00 C ATOM 803 O PHE A 53 -1.935 5.925 -3.507 1.00 0.00 O ATOM 804 CB PHE A 53 -1.177 5.550 -6.708 1.00 0.00 C ATOM 805 CG PHE A 53 -1.901 5.377 -8.013 1.00 0.00 C ATOM 806 CD1 PHE A 53 -1.672 4.264 -8.805 1.00 0.00 C ATOM 807 CD2 PHE A 53 -2.812 6.327 -8.446 1.00 0.00 C ATOM 808 CE1 PHE A 53 -2.336 4.102 -10.006 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.480 6.171 -9.646 1.00 0.00 C ATOM 810 CZ PHE A 53 -3.242 5.056 -10.427 1.00 0.00 C ATOM 0 H PHE A 53 -3.607 5.607 -5.980 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.441 3.672 -5.697 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.207 6.601 -6.422 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.128 5.287 -6.846 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.966 3.514 -8.480 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.002 7.200 -7.839 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.147 3.230 -10.615 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.187 6.919 -9.973 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.763 4.931 -11.365 1.00 0.00 H new ATOM 820 N PHE A 54 -0.002 4.842 -3.903 1.00 0.00 N ATOM 821 CA PHE A 54 0.614 5.257 -2.648 1.00 0.00 C ATOM 822 C PHE A 54 2.130 5.090 -2.705 1.00 0.00 C ATOM 823 O PHE A 54 2.657 4.202 -3.375 1.00 0.00 O ATOM 824 CB PHE A 54 0.044 4.445 -1.483 1.00 0.00 C ATOM 825 CG PHE A 54 0.316 2.971 -1.589 1.00 0.00 C ATOM 826 CD1 PHE A 54 1.463 2.424 -1.039 1.00 0.00 C ATOM 827 CD2 PHE A 54 -0.577 2.134 -2.239 1.00 0.00 C ATOM 828 CE1 PHE A 54 1.716 1.068 -1.137 1.00 0.00 C ATOM 829 CE2 PHE A 54 -0.330 0.778 -2.339 1.00 0.00 C ATOM 830 CZ PHE A 54 0.817 0.244 -1.786 1.00 0.00 C ATOM 0 H PHE A 54 0.590 4.254 -4.490 1.00 0.00 H new ATOM 0 HA PHE A 54 0.388 6.312 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.466 4.818 -0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.033 4.605 -1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.168 3.063 -0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.476 2.546 -2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.616 0.654 -0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.033 0.137 -2.849 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.011 -0.816 -1.861 1.00 0.00 H new ATOM 840 N PRO A 55 2.848 5.966 -1.987 1.00 0.00 N ATOM 841 CA PRO A 55 4.313 5.937 -1.939 1.00 0.00 C ATOM 842 C PRO A 55 4.845 4.727 -1.179 1.00 0.00 C ATOM 843 O PRO A 55 4.272 4.315 -0.171 1.00 0.00 O ATOM 844 CB PRO A 55 4.669 7.231 -1.202 1.00 0.00 C ATOM 845 CG PRO A 55 3.468 7.539 -0.375 1.00 0.00 C ATOM 846 CD PRO A 55 2.285 7.051 -1.165 1.00 0.00 C ATOM 0 HA PRO A 55 4.752 5.862 -2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.555 7.102 -0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.886 8.038 -1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.523 7.041 0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.392 8.609 -0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.488 6.690 -0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.859 7.843 -1.781 1.00 0.00 H new ATOM 854 N ALA A 56 5.944 4.163 -1.668 1.00 0.00 N ATOM 855 CA ALA A 56 6.554 3.002 -1.033 1.00 0.00 C ATOM 856 C ALA A 56 7.273 3.394 0.254 1.00 0.00 C ATOM 857 O ALA A 56 7.525 2.554 1.116 1.00 0.00 O ATOM 858 CB ALA A 56 7.519 2.322 -1.992 1.00 0.00 C ATOM 0 H ALA A 56 6.430 4.492 -2.502 1.00 0.00 H new ATOM 0 HA ALA A 56 5.760 2.301 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.967 1.456 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.980 1.998 -2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.303 3.024 -2.278 1.00 0.00 H new ATOM 864 N ASN A 57 7.600 4.677 0.376 1.00 0.00 N ATOM 865 CA ASN A 57 8.291 5.180 1.557 1.00 0.00 C ATOM 866 C ASN A 57 7.342 5.262 2.749 1.00 0.00 C ATOM 867 O ASN A 57 7.750 5.606 3.859 1.00 0.00 O ATOM 868 CB ASN A 57 8.892 6.558 1.274 1.00 0.00 C ATOM 869 CG ASN A 57 9.588 6.619 -0.072 1.00 0.00 C ATOM 870 OD1 ASN A 57 8.946 6.543 -1.120 1.00 0.00 O ATOM 871 ND2 ASN A 57 10.909 6.758 -0.050 1.00 0.00 N ATOM 0 H ASN A 57 7.397 5.386 -0.328 1.00 0.00 H new ATOM 0 HA ASN A 57 9.094 4.484 1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.103 7.309 1.306 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.604 6.809 2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.431 6.806 -0.925 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.401 6.817 0.842 1.00 0.00 H new ATOM 878 N PHE A 58 6.074 4.944 2.511 1.00 0.00 N ATOM 879 CA PHE A 58 5.066 4.983 3.565 1.00 0.00 C ATOM 880 C PHE A 58 4.765 3.578 4.081 1.00 0.00 C ATOM 881 O PHE A 58 4.385 3.398 5.238 1.00 0.00 O ATOM 882 CB PHE A 58 3.782 5.634 3.047 1.00 0.00 C ATOM 883 CG PHE A 58 3.748 7.124 3.234 1.00 0.00 C ATOM 884 CD1 PHE A 58 4.712 7.930 2.649 1.00 0.00 C ATOM 885 CD2 PHE A 58 2.753 7.719 3.992 1.00 0.00 C ATOM 886 CE1 PHE A 58 4.684 9.301 2.820 1.00 0.00 C ATOM 887 CE2 PHE A 58 2.720 9.090 4.166 1.00 0.00 C ATOM 888 CZ PHE A 58 3.686 9.882 3.578 1.00 0.00 C ATOM 0 H PHE A 58 5.720 4.657 1.599 1.00 0.00 H new ATOM 0 HA PHE A 58 5.460 5.578 4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.671 5.406 1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.928 5.192 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.493 7.482 2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.994 7.104 4.453 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.442 9.918 2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.940 9.541 4.761 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.661 10.954 3.710 1.00 0.00 H new ATOM 898 N VAL A 59 4.937 2.586 3.213 1.00 0.00 N ATOM 899 CA VAL A 59 4.685 1.198 3.580 1.00 0.00 C ATOM 900 C VAL A 59 5.990 0.427 3.743 1.00 0.00 C ATOM 901 O VAL A 59 7.069 0.948 3.462 1.00 0.00 O ATOM 902 CB VAL A 59 3.811 0.489 2.528 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.610 1.350 2.164 1.00 0.00 C ATOM 904 CG2 VAL A 59 4.632 0.154 1.292 1.00 0.00 C ATOM 0 H VAL A 59 5.250 2.718 2.251 1.00 0.00 H new ATOM 0 HA VAL A 59 4.154 1.214 4.532 1.00 0.00 H new ATOM 0 HB VAL A 59 3.443 -0.444 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.004 0.833 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.011 1.534 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.954 2.300 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.999 -0.346 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.031 1.072 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.455 -0.504 1.570 1.00 0.00 H new ATOM 914 N GLN A 60 5.883 -0.818 4.197 1.00 0.00 N ATOM 915 CA GLN A 60 7.056 -1.661 4.397 1.00 0.00 C ATOM 916 C GLN A 60 6.745 -3.115 4.059 1.00 0.00 C ATOM 917 O GLN A 60 5.762 -3.678 4.542 1.00 0.00 O ATOM 918 CB GLN A 60 7.546 -1.554 5.843 1.00 0.00 C ATOM 919 CG GLN A 60 8.455 -2.698 6.263 1.00 0.00 C ATOM 920 CD GLN A 60 7.689 -3.864 6.856 1.00 0.00 C ATOM 921 OE1 GLN A 60 6.458 -3.891 6.829 1.00 0.00 O ATOM 922 NE2 GLN A 60 8.414 -4.836 7.396 1.00 0.00 N ATOM 0 H GLN A 60 4.997 -1.265 4.433 1.00 0.00 H new ATOM 0 HA GLN A 60 7.842 -1.312 3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.080 -0.612 5.968 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.684 -1.523 6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.022 -3.043 5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.177 -2.334 6.993 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.432 -4.773 7.397 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.953 -5.646 7.810 1.00 0.00 H new ATOM 931 N ARG A 61 7.588 -3.717 3.227 1.00 0.00 N ATOM 932 CA ARG A 61 7.402 -5.106 2.823 1.00 0.00 C ATOM 933 C ARG A 61 7.167 -5.999 4.038 1.00 0.00 C ATOM 934 O ARG A 61 7.872 -5.896 5.043 1.00 0.00 O ATOM 935 CB ARG A 61 8.621 -5.600 2.042 1.00 0.00 C ATOM 936 CG ARG A 61 8.390 -6.919 1.323 1.00 0.00 C ATOM 937 CD ARG A 61 9.471 -7.185 0.287 1.00 0.00 C ATOM 938 NE ARG A 61 10.668 -7.771 0.883 1.00 0.00 N ATOM 939 CZ ARG A 61 10.693 -8.969 1.457 1.00 0.00 C ATOM 940 NH1 ARG A 61 9.591 -9.705 1.511 1.00 0.00 N ATOM 941 NH2 ARG A 61 11.822 -9.434 1.977 1.00 0.00 N ATOM 0 H ARG A 61 8.407 -3.265 2.819 1.00 0.00 H new ATOM 0 HA ARG A 61 6.523 -5.157 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.905 -4.843 1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.461 -5.712 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.372 -7.732 2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.414 -6.904 0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.082 -7.856 -0.479 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.734 -6.251 -0.211 1.00 0.00 H new ATOM 0 HE ARG A 61 11.533 -7.231 0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.722 -9.352 1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.613 -10.624 1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.672 -8.872 1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.840 -10.354 2.417 1.00 0.00 H new ATOM 955 N LEU A 62 6.172 -6.873 3.940 1.00 0.00 N ATOM 956 CA LEU A 62 5.844 -7.784 5.031 1.00 0.00 C ATOM 957 C LEU A 62 6.524 -9.135 4.835 1.00 0.00 C ATOM 958 O LEU A 62 6.048 -9.978 4.075 1.00 0.00 O ATOM 959 CB LEU A 62 4.329 -7.973 5.125 1.00 0.00 C ATOM 960 CG LEU A 62 3.581 -6.968 6.002 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.102 -6.949 5.650 1.00 0.00 C ATOM 962 CD2 LEU A 62 3.776 -7.297 7.475 1.00 0.00 C ATOM 0 H LEU A 62 5.578 -6.970 3.116 1.00 0.00 H new ATOM 0 HA LEU A 62 6.208 -7.345 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.914 -7.926 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.131 -8.975 5.505 1.00 0.00 H new ATOM 0 HG LEU A 62 3.991 -5.976 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.586 -6.228 6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.980 -6.665 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.678 -7.940 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.237 -6.572 8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.393 -8.297 7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.838 -7.258 7.719 1.00 0.00 H new ATOM 974 N SER A 63 7.640 -9.336 5.529 1.00 0.00 N ATOM 975 CA SER A 63 8.388 -10.584 5.431 1.00 0.00 C ATOM 976 C SER A 63 7.800 -11.643 6.358 1.00 0.00 C ATOM 977 O SER A 63 7.734 -11.455 7.572 1.00 0.00 O ATOM 978 CB SER A 63 9.860 -10.350 5.774 1.00 0.00 C ATOM 979 OG SER A 63 10.433 -9.371 4.924 1.00 0.00 O ATOM 0 H SER A 63 8.046 -8.650 6.165 1.00 0.00 H new ATOM 0 HA SER A 63 8.315 -10.943 4.404 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.948 -10.031 6.812 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.412 -11.285 5.680 1.00 0.00 H new ATOM 0 HG SER A 63 11.374 -9.239 5.165 1.00 0.00 H new ATOM 985 N GLY A 64 7.373 -12.760 5.776 1.00 0.00 N ATOM 986 CA GLY A 64 6.796 -13.834 6.563 1.00 0.00 C ATOM 987 C GLY A 64 5.693 -14.566 5.825 1.00 0.00 C ATOM 988 O GLY A 64 4.985 -13.994 4.996 1.00 0.00 O ATOM 0 H GLY A 64 7.417 -12.940 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.579 -14.542 6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.398 -13.426 7.492 1.00 0.00 H new ATOM 992 N PRO A 65 5.537 -15.864 6.124 1.00 0.00 N ATOM 993 CA PRO A 65 4.514 -16.704 5.492 1.00 0.00 C ATOM 994 C PRO A 65 3.103 -16.331 5.934 1.00 0.00 C ATOM 995 O PRO A 65 2.612 -16.820 6.952 1.00 0.00 O ATOM 996 CB PRO A 65 4.869 -18.114 5.970 1.00 0.00 C ATOM 997 CG PRO A 65 5.597 -17.907 7.254 1.00 0.00 C ATOM 998 CD PRO A 65 6.345 -16.612 7.102 1.00 0.00 C ATOM 0 HA PRO A 65 4.510 -16.595 4.407 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.974 -18.720 6.115 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.491 -18.634 5.242 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.903 -17.860 8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.281 -18.732 7.452 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.423 -16.079 8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.361 -16.775 6.743 1.00 0.00 H new ATOM 1006 N SER A 66 2.457 -15.463 5.163 1.00 0.00 N ATOM 1007 CA SER A 66 1.103 -15.022 5.477 1.00 0.00 C ATOM 1008 C SER A 66 1.072 -14.261 6.798 1.00 0.00 C ATOM 1009 O SER A 66 0.147 -14.414 7.595 1.00 0.00 O ATOM 1010 CB SER A 66 0.156 -16.222 5.545 1.00 0.00 C ATOM 1011 OG SER A 66 -1.161 -15.854 5.172 1.00 0.00 O ATOM 0 H SER A 66 2.849 -15.051 4.316 1.00 0.00 H new ATOM 0 HA SER A 66 0.773 -14.352 4.684 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.517 -17.012 4.886 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.151 -16.628 6.556 1.00 0.00 H new ATOM 0 HG SER A 66 -1.746 -16.638 5.222 1.00 0.00 H new ATOM 1017 N SER A 67 2.092 -13.438 7.023 1.00 0.00 N ATOM 1018 CA SER A 67 2.186 -12.654 8.250 1.00 0.00 C ATOM 1019 C SER A 67 1.687 -11.230 8.023 1.00 0.00 C ATOM 1020 O SER A 67 2.407 -10.386 7.492 1.00 0.00 O ATOM 1021 CB SER A 67 3.630 -12.627 8.754 1.00 0.00 C ATOM 1022 OG SER A 67 3.952 -13.823 9.443 1.00 0.00 O ATOM 0 H SER A 67 2.865 -13.297 6.372 1.00 0.00 H new ATOM 0 HA SER A 67 1.555 -13.126 9.003 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.310 -12.494 7.912 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.772 -11.773 9.416 1.00 0.00 H new ATOM 0 HG SER A 67 4.881 -13.782 9.754 1.00 0.00 H new ATOM 1028 N GLY A 68 0.448 -10.971 8.430 1.00 0.00 N ATOM 1029 CA GLY A 68 -0.126 -9.649 8.264 1.00 0.00 C ATOM 1030 C GLY A 68 -1.425 -9.481 9.028 1.00 0.00 C ATOM 1031 O GLY A 68 -1.543 -9.925 10.170 1.00 0.00 O ATOM 0 H GLY A 68 -0.168 -11.653 8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.590 -8.900 8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.304 -9.464 7.205 1.00 0.00 H new TER 1035 GLY A 68