USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : +bothHN:sc= -17.1! C(o=-29!,f=-33!) USER MOD Set 1.2: A 89 CYS SG : rot 140:sc= -1.92! USER MOD Set 1.3: A 92 HIS :FLIP no HE2:sc= -9.86! C(o=-29!,f=-29!) USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= -0.0091 USER MOD Set 2.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 30:sc= 0.554 USER MOD Single : A 3 TYR OH : rot 155:sc= 0.441 USER MOD Single : A 4 THR OG1 : rot 32:sc= 0.568 USER MOD Single : A 6 LYS NZ :NH3+ -145:sc= -0.35 (180deg=-1.81!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.286 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= -0.246 (180deg=-0.246) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -8.1! C(o=-8.1!,f=-17!) USER MOD Single : A 34 ASN : amide:sc= -0.0276 K(o=-0.028,f=-1.5!) USER MOD Single : A 35 LYS NZ :NH3+ -111:sc= -0.0986 (180deg=-1.93!) USER MOD Single : A 40 ASN : amide:sc= -2.13! C(o=-2.1!,f=-8.2!) USER MOD Single : A 48 ASN : amide:sc= -3.41! C(o=-3.4!,f=-9.7!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 42:sc= 0.137 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.101 USER MOD Single : A 61 HIS : no HE2:sc= -10! C(o=-10!,f=-22!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 70:sc= -0.37 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0.095) USER MOD Single : A 71 SER OG : rot 160:sc= -1.7! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -5:sc= 0.69 USER MOD Single : A 74 THR OG1 : rot 118:sc= 0.255! USER MOD Single : A 85 TYR OH : rot -29:sc= -0.97! USER MOD Single : A 86 THR OG1 : rot -160:sc= -0.0652 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -117:sc= -4.94! (180deg=-11!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 2.525 13.762 3.186 1.00 0.00 N ATOM 19 CA THR A 2 1.721 12.531 3.430 1.00 0.00 C ATOM 20 C THR A 2 0.942 12.169 2.165 1.00 0.00 C ATOM 21 O THR A 2 0.562 13.025 1.390 1.00 0.00 O ATOM 22 CB THR A 2 0.736 12.778 4.576 1.00 0.00 C ATOM 23 OG1 THR A 2 1.346 13.608 5.554 1.00 0.00 O ATOM 24 CG2 THR A 2 0.340 11.442 5.209 1.00 0.00 C ATOM 0 HA THR A 2 2.390 11.712 3.695 1.00 0.00 H new ATOM 0 HB THR A 2 -0.156 13.271 4.189 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.995 14.201 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.361 11.619 6.025 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.131 10.808 4.457 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.229 10.945 5.597 1.00 0.00 H new ATOM 32 N TYR A 3 0.697 10.905 1.950 1.00 0.00 N ATOM 33 CA TYR A 3 -0.060 10.487 0.736 1.00 0.00 C ATOM 34 C TYR A 3 -1.132 9.469 1.134 1.00 0.00 C ATOM 35 O TYR A 3 -0.959 8.705 2.063 1.00 0.00 O ATOM 36 CB TYR A 3 0.901 9.853 -0.271 1.00 0.00 C ATOM 37 CG TYR A 3 2.142 10.705 -0.389 1.00 0.00 C ATOM 38 CD1 TYR A 3 2.192 11.745 -1.324 1.00 0.00 C ATOM 39 CD2 TYR A 3 3.245 10.453 0.437 1.00 0.00 C ATOM 40 CE1 TYR A 3 3.343 12.534 -1.433 1.00 0.00 C ATOM 41 CE2 TYR A 3 4.396 11.241 0.327 1.00 0.00 C ATOM 42 CZ TYR A 3 4.445 12.282 -0.608 1.00 0.00 C ATOM 43 OH TYR A 3 5.580 13.059 -0.716 1.00 0.00 O ATOM 0 H TYR A 3 0.989 10.144 2.563 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.535 11.357 0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.168 8.846 0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.417 9.761 -1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.342 11.939 -1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.207 9.650 1.159 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.381 13.337 -2.154 1.00 0.00 H new ATOM 0 HE2 TYR A 3 5.247 11.046 0.963 1.00 0.00 H new ATOM 0 HH TYR A 3 6.069 13.044 0.133 1.00 0.00 H new ATOM 53 N THR A 4 -2.239 9.452 0.442 1.00 0.00 N ATOM 54 CA THR A 4 -3.317 8.482 0.789 1.00 0.00 C ATOM 55 C THR A 4 -3.906 7.882 -0.490 1.00 0.00 C ATOM 56 O THR A 4 -4.677 8.514 -1.185 1.00 0.00 O ATOM 57 CB THR A 4 -4.421 9.201 1.570 1.00 0.00 C ATOM 58 OG1 THR A 4 -5.560 8.356 1.664 1.00 0.00 O ATOM 59 CG2 THR A 4 -4.804 10.494 0.848 1.00 0.00 C ATOM 0 H THR A 4 -2.443 10.066 -0.346 1.00 0.00 H new ATOM 0 HA THR A 4 -2.897 7.684 1.401 1.00 0.00 H new ATOM 0 HB THR A 4 -4.060 9.440 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.272 7.420 1.690 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.590 11.003 1.406 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.931 11.143 0.776 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.165 10.259 -0.153 1.00 0.00 H new ATOM 67 N VAL A 5 -3.552 6.666 -0.805 1.00 0.00 N ATOM 68 CA VAL A 5 -4.093 6.024 -2.032 1.00 0.00 C ATOM 69 C VAL A 5 -5.422 5.340 -1.701 1.00 0.00 C ATOM 70 O VAL A 5 -5.533 4.130 -1.727 1.00 0.00 O ATOM 71 CB VAL A 5 -3.094 4.984 -2.536 1.00 0.00 C ATOM 72 CG1 VAL A 5 -1.825 5.687 -3.024 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.739 4.027 -1.396 1.00 0.00 C ATOM 0 H VAL A 5 -2.909 6.089 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.255 6.778 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.537 4.424 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.113 4.944 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.077 6.371 -3.835 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.381 6.248 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.026 3.284 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.296 4.589 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.642 3.525 -1.047 1.00 0.00 H new ATOM 83 N LYS A 6 -6.430 6.106 -1.386 1.00 0.00 N ATOM 84 CA LYS A 6 -7.751 5.503 -1.047 1.00 0.00 C ATOM 85 C LYS A 6 -8.168 4.522 -2.145 1.00 0.00 C ATOM 86 O LYS A 6 -8.515 4.914 -3.241 1.00 0.00 O ATOM 87 CB LYS A 6 -8.800 6.612 -0.930 1.00 0.00 C ATOM 88 CG LYS A 6 -8.922 7.344 -2.268 1.00 0.00 C ATOM 89 CD LYS A 6 -9.329 8.798 -2.021 1.00 0.00 C ATOM 90 CE LYS A 6 -10.814 8.976 -2.342 1.00 0.00 C ATOM 91 NZ LYS A 6 -11.074 8.525 -3.737 1.00 0.00 N ATOM 0 H LYS A 6 -6.396 7.125 -1.349 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.673 4.971 -0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.763 6.187 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.517 7.313 -0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.973 7.307 -2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.662 6.850 -2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.136 9.069 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.730 9.464 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.420 8.400 -1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.100 10.021 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.809 9.124 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.199 8.599 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.396 7.536 -3.728 1.00 0.00 H new ATOM 105 N LEU A 7 -8.143 3.248 -1.858 1.00 0.00 N ATOM 106 CA LEU A 7 -8.543 2.247 -2.879 1.00 0.00 C ATOM 107 C LEU A 7 -10.042 2.375 -3.153 1.00 0.00 C ATOM 108 O LEU A 7 -10.735 3.146 -2.518 1.00 0.00 O ATOM 109 CB LEU A 7 -8.238 0.842 -2.357 1.00 0.00 C ATOM 110 CG LEU A 7 -8.596 0.749 -0.874 1.00 0.00 C ATOM 111 CD1 LEU A 7 -9.480 -0.477 -0.637 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.313 0.620 -0.050 1.00 0.00 C ATOM 0 H LEU A 7 -7.862 2.860 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.988 2.421 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.804 0.103 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.182 0.613 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.135 1.647 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.735 -0.543 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.393 -0.386 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.943 -1.377 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.565 0.554 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.775 -0.279 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.683 1.493 -0.219 1.00 0.00 H new ATOM 124 N GLY A 8 -10.549 1.626 -4.091 1.00 0.00 N ATOM 125 CA GLY A 8 -12.003 1.705 -4.404 1.00 0.00 C ATOM 126 C GLY A 8 -12.324 3.072 -5.008 1.00 0.00 C ATOM 127 O GLY A 8 -12.281 4.083 -4.336 1.00 0.00 O ATOM 0 H GLY A 8 -10.019 0.962 -4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.279 0.914 -5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.589 1.550 -3.498 1.00 0.00 H new ATOM 131 N SER A 9 -12.647 3.112 -6.271 1.00 0.00 N ATOM 132 CA SER A 9 -12.972 4.415 -6.913 1.00 0.00 C ATOM 133 C SER A 9 -14.289 4.946 -6.336 1.00 0.00 C ATOM 134 O SER A 9 -14.330 5.440 -5.227 1.00 0.00 O ATOM 135 CB SER A 9 -13.100 4.221 -8.426 1.00 0.00 C ATOM 136 OG SER A 9 -14.060 3.206 -8.690 1.00 0.00 O ATOM 0 H SER A 9 -12.700 2.299 -6.885 1.00 0.00 H new ATOM 0 HA SER A 9 -12.177 5.134 -6.715 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.402 5.155 -8.900 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.135 3.945 -8.852 1.00 0.00 H new ATOM 0 HG SER A 9 -14.145 3.080 -9.658 1.00 0.00 H new ATOM 142 N ASP A 10 -15.367 4.849 -7.067 1.00 0.00 N ATOM 143 CA ASP A 10 -16.666 5.351 -6.537 1.00 0.00 C ATOM 144 C ASP A 10 -17.803 4.945 -7.478 1.00 0.00 C ATOM 145 O ASP A 10 -18.828 5.595 -7.539 1.00 0.00 O ATOM 146 CB ASP A 10 -16.614 6.876 -6.433 1.00 0.00 C ATOM 147 CG ASP A 10 -17.577 7.347 -5.342 1.00 0.00 C ATOM 148 OD1 ASP A 10 -17.436 6.892 -4.218 1.00 0.00 O ATOM 149 OD2 ASP A 10 -18.439 8.155 -5.647 1.00 0.00 O ATOM 0 H ASP A 10 -15.404 4.446 -8.003 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.844 4.920 -5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -15.599 7.201 -6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.883 7.326 -7.389 1.00 0.00 H new ATOM 154 N LYS A 11 -17.634 3.882 -8.216 1.00 0.00 N ATOM 155 CA LYS A 11 -18.713 3.453 -9.149 1.00 0.00 C ATOM 156 C LYS A 11 -18.981 1.951 -8.997 1.00 0.00 C ATOM 157 O LYS A 11 -19.937 1.430 -9.535 1.00 0.00 O ATOM 158 CB LYS A 11 -18.291 3.758 -10.586 1.00 0.00 C ATOM 159 CG LYS A 11 -19.407 4.533 -11.289 1.00 0.00 C ATOM 160 CD LYS A 11 -19.556 4.029 -12.725 1.00 0.00 C ATOM 161 CE LYS A 11 -20.396 5.022 -13.531 1.00 0.00 C ATOM 162 NZ LYS A 11 -19.495 5.988 -14.222 1.00 0.00 N ATOM 0 H LYS A 11 -16.800 3.295 -8.213 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.627 3.998 -8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -17.370 4.341 -10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.084 2.831 -11.121 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -20.346 4.408 -10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -19.179 5.599 -11.289 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.574 3.911 -13.184 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.030 3.048 -12.730 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -21.006 4.490 -14.262 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -21.081 5.555 -12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.065 6.663 -14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.932 6.503 -13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.859 5.472 -14.863 1.00 0.00 H new ATOM 176 N GLY A 12 -18.155 1.248 -8.268 1.00 0.00 N ATOM 177 CA GLY A 12 -18.388 -0.215 -8.092 1.00 0.00 C ATOM 178 C GLY A 12 -17.109 -0.994 -8.410 1.00 0.00 C ATOM 179 O GLY A 12 -17.096 -2.210 -8.391 1.00 0.00 O ATOM 0 H GLY A 12 -17.335 1.620 -7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.703 -0.420 -7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -19.195 -0.544 -8.746 1.00 0.00 H new ATOM 183 N LEU A 13 -16.035 -0.314 -8.701 1.00 0.00 N ATOM 184 CA LEU A 13 -14.767 -1.032 -9.016 1.00 0.00 C ATOM 185 C LEU A 13 -13.752 -0.793 -7.898 1.00 0.00 C ATOM 186 O LEU A 13 -13.663 0.285 -7.345 1.00 0.00 O ATOM 187 CB LEU A 13 -14.201 -0.516 -10.341 1.00 0.00 C ATOM 188 CG LEU A 13 -14.794 -1.325 -11.495 1.00 0.00 C ATOM 189 CD1 LEU A 13 -14.783 -0.481 -12.770 1.00 0.00 C ATOM 190 CD2 LEU A 13 -13.958 -2.587 -11.714 1.00 0.00 C ATOM 0 H LEU A 13 -15.980 0.704 -8.734 1.00 0.00 H new ATOM 0 HA LEU A 13 -14.968 -2.100 -9.100 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -14.438 0.541 -10.464 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -13.114 -0.601 -10.343 1.00 0.00 H new ATOM 0 HG LEU A 13 -15.820 -1.604 -11.253 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -15.206 -1.058 -13.592 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -15.378 0.419 -12.615 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.758 -0.202 -13.013 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.380 -3.165 -12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.933 -2.307 -11.956 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.965 -3.190 -10.806 1.00 0.00 H new ATOM 202 N LEU A 14 -12.987 -1.794 -7.559 1.00 0.00 N ATOM 203 CA LEU A 14 -11.980 -1.630 -6.474 1.00 0.00 C ATOM 204 C LEU A 14 -10.584 -1.478 -7.084 1.00 0.00 C ATOM 205 O LEU A 14 -9.971 -2.440 -7.501 1.00 0.00 O ATOM 206 CB LEU A 14 -12.004 -2.862 -5.569 1.00 0.00 C ATOM 207 CG LEU A 14 -13.272 -2.844 -4.716 1.00 0.00 C ATOM 208 CD1 LEU A 14 -13.330 -4.115 -3.866 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.252 -1.619 -3.798 1.00 0.00 C ATOM 0 H LEU A 14 -13.016 -2.719 -7.987 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.220 -0.741 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.971 -3.770 -6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.122 -2.873 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.147 -2.798 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.234 -4.104 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.342 -4.988 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.455 -4.159 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.156 -1.606 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.378 -1.665 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.208 -0.713 -4.402 1.00 0.00 H new ATOM 221 N VAL A 15 -10.076 -0.277 -7.136 1.00 0.00 N ATOM 222 CA VAL A 15 -8.718 -0.066 -7.715 1.00 0.00 C ATOM 223 C VAL A 15 -7.993 1.021 -6.918 1.00 0.00 C ATOM 224 O VAL A 15 -8.571 2.026 -6.554 1.00 0.00 O ATOM 225 CB VAL A 15 -8.845 0.372 -9.176 1.00 0.00 C ATOM 226 CG1 VAL A 15 -9.473 -0.755 -9.998 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.732 1.616 -9.257 1.00 0.00 C ATOM 0 H VAL A 15 -10.542 0.567 -6.803 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.152 -0.996 -7.665 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.856 0.601 -9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.562 -0.441 -11.038 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.843 -1.642 -9.940 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.462 -0.986 -9.603 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.824 1.930 -10.297 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.720 1.385 -8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.285 2.420 -8.673 1.00 0.00 H new ATOM 237 N PHE A 16 -6.730 0.831 -6.644 1.00 0.00 N ATOM 238 CA PHE A 16 -5.974 1.857 -5.870 1.00 0.00 C ATOM 239 C PHE A 16 -6.066 3.207 -6.584 1.00 0.00 C ATOM 240 O PHE A 16 -6.158 3.276 -7.794 1.00 0.00 O ATOM 241 CB PHE A 16 -4.505 1.439 -5.761 1.00 0.00 C ATOM 242 CG PHE A 16 -4.307 0.611 -4.514 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.711 -0.729 -4.493 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.717 1.182 -3.379 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.527 -1.498 -3.338 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.533 0.413 -2.224 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.938 -0.927 -2.204 1.00 0.00 C ATOM 0 H PHE A 16 -6.190 0.011 -6.922 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.402 1.943 -4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.213 0.866 -6.641 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.866 2.322 -5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.165 -1.170 -5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.404 2.216 -3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.839 -2.532 -3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.079 0.853 -1.349 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.796 -1.520 -1.313 1.00 0.00 H new ATOM 257 N GLU A 17 -6.042 4.280 -5.843 1.00 0.00 N ATOM 258 CA GLU A 17 -6.128 5.626 -6.474 1.00 0.00 C ATOM 259 C GLU A 17 -5.229 6.604 -5.707 1.00 0.00 C ATOM 260 O GLU A 17 -5.543 6.979 -4.595 1.00 0.00 O ATOM 261 CB GLU A 17 -7.573 6.123 -6.416 1.00 0.00 C ATOM 262 CG GLU A 17 -8.418 5.362 -7.440 1.00 0.00 C ATOM 263 CD GLU A 17 -8.849 6.315 -8.556 1.00 0.00 C ATOM 264 OE1 GLU A 17 -8.218 7.349 -8.703 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.803 5.995 -9.246 1.00 0.00 O ATOM 0 H GLU A 17 -5.966 4.282 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.803 5.563 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.978 5.978 -5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.609 7.193 -6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.845 4.533 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.295 4.932 -6.956 1.00 0.00 H new ATOM 272 N PRO A 18 -4.134 6.991 -6.317 1.00 0.00 N ATOM 273 CA PRO A 18 -3.745 6.542 -7.666 1.00 0.00 C ATOM 274 C PRO A 18 -3.151 5.131 -7.615 1.00 0.00 C ATOM 275 O PRO A 18 -2.951 4.568 -6.556 1.00 0.00 O ATOM 276 CB PRO A 18 -2.681 7.560 -8.085 1.00 0.00 C ATOM 277 CG PRO A 18 -2.119 8.169 -6.783 1.00 0.00 C ATOM 278 CD PRO A 18 -3.175 7.926 -5.696 1.00 0.00 C ATOM 0 HA PRO A 18 -4.585 6.492 -8.358 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.890 7.080 -8.661 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.113 8.333 -8.720 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.171 7.702 -6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.926 9.235 -6.905 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.729 7.499 -4.798 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.661 8.855 -5.400 1.00 0.00 H new ATOM 286 N ALA A 19 -2.861 4.557 -8.751 1.00 0.00 N ATOM 287 CA ALA A 19 -2.274 3.190 -8.768 1.00 0.00 C ATOM 288 C ALA A 19 -0.822 3.261 -8.293 1.00 0.00 C ATOM 289 O ALA A 19 -0.427 2.585 -7.363 1.00 0.00 O ATOM 290 CB ALA A 19 -2.319 2.632 -10.191 1.00 0.00 C ATOM 0 H ALA A 19 -3.006 4.978 -9.669 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.845 2.538 -8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.889 1.631 -10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.353 2.587 -10.531 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.747 3.281 -10.854 1.00 0.00 H new ATOM 296 N LYS A 20 -0.025 4.082 -8.921 1.00 0.00 N ATOM 297 CA LYS A 20 1.400 4.206 -8.504 1.00 0.00 C ATOM 298 C LYS A 20 1.563 5.463 -7.651 1.00 0.00 C ATOM 299 O LYS A 20 0.999 6.499 -7.942 1.00 0.00 O ATOM 300 CB LYS A 20 2.288 4.307 -9.747 1.00 0.00 C ATOM 301 CG LYS A 20 2.215 2.997 -10.536 1.00 0.00 C ATOM 302 CD LYS A 20 1.936 3.302 -12.010 1.00 0.00 C ATOM 303 CE LYS A 20 0.584 2.707 -12.411 1.00 0.00 C ATOM 304 NZ LYS A 20 -0.309 3.791 -12.911 1.00 0.00 N ATOM 0 H LYS A 20 -0.300 4.673 -9.706 1.00 0.00 H new ATOM 0 HA LYS A 20 1.693 3.331 -7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.963 5.139 -10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.318 4.511 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.152 2.449 -10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.429 2.360 -10.131 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.934 4.379 -12.175 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.727 2.886 -12.634 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.723 1.951 -13.183 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.126 2.210 -11.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.227 3.386 -13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.451 4.498 -12.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.127 4.247 -13.738 1.00 0.00 H new ATOM 318 N LEU A 21 2.320 5.381 -6.592 1.00 0.00 N ATOM 319 CA LEU A 21 2.500 6.574 -5.719 1.00 0.00 C ATOM 320 C LEU A 21 3.988 6.873 -5.531 1.00 0.00 C ATOM 321 O LEU A 21 4.708 6.120 -4.906 1.00 0.00 O ATOM 322 CB LEU A 21 1.868 6.299 -4.353 1.00 0.00 C ATOM 323 CG LEU A 21 1.733 7.614 -3.587 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.605 8.442 -4.202 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.411 7.320 -2.119 1.00 0.00 C ATOM 0 H LEU A 21 2.820 4.543 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 21 2.020 7.433 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.889 5.836 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.483 5.598 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 21 2.669 8.170 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.505 9.381 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.835 8.650 -5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.330 7.886 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.315 8.258 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.475 6.766 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.214 6.727 -1.682 1.00 0.00 H new ATOM 337 N THR A 22 4.452 7.977 -6.050 1.00 0.00 N ATOM 338 CA THR A 22 5.889 8.328 -5.877 1.00 0.00 C ATOM 339 C THR A 22 6.067 8.985 -4.509 1.00 0.00 C ATOM 340 O THR A 22 5.863 10.172 -4.347 1.00 0.00 O ATOM 341 CB THR A 22 6.324 9.305 -6.972 1.00 0.00 C ATOM 342 OG1 THR A 22 6.031 8.750 -8.247 1.00 0.00 O ATOM 343 CG2 THR A 22 7.828 9.562 -6.858 1.00 0.00 C ATOM 0 H THR A 22 3.900 8.648 -6.584 1.00 0.00 H new ATOM 0 HA THR A 22 6.499 7.427 -5.946 1.00 0.00 H new ATOM 0 HB THR A 22 5.786 10.246 -6.855 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.308 9.376 -8.948 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.138 10.258 -7.638 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.051 9.989 -5.880 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.368 8.622 -6.975 1.00 0.00 H new ATOM 351 N ILE A 23 6.430 8.220 -3.518 1.00 0.00 N ATOM 352 CA ILE A 23 6.601 8.793 -2.157 1.00 0.00 C ATOM 353 C ILE A 23 8.074 9.065 -1.880 1.00 0.00 C ATOM 354 O ILE A 23 8.945 8.685 -2.637 1.00 0.00 O ATOM 355 CB ILE A 23 6.081 7.806 -1.113 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.662 6.413 -1.389 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.558 7.750 -1.185 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.420 5.914 -0.155 1.00 0.00 C ATOM 0 H ILE A 23 6.616 7.220 -3.594 1.00 0.00 H new ATOM 0 HA ILE A 23 6.041 9.727 -2.102 1.00 0.00 H new ATOM 0 HB ILE A 23 6.386 8.132 -0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.861 5.718 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.332 6.452 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.184 7.046 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.148 8.740 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.253 7.423 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.831 4.925 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.232 6.604 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.738 5.858 0.693 1.00 0.00 H new ATOM 370 N LYS A 24 8.357 9.709 -0.783 1.00 0.00 N ATOM 371 CA LYS A 24 9.771 9.995 -0.433 1.00 0.00 C ATOM 372 C LYS A 24 10.287 8.851 0.441 1.00 0.00 C ATOM 373 O LYS A 24 9.513 8.030 0.891 1.00 0.00 O ATOM 374 CB LYS A 24 9.852 11.321 0.333 1.00 0.00 C ATOM 375 CG LYS A 24 8.810 12.295 -0.219 1.00 0.00 C ATOM 376 CD LYS A 24 9.163 12.655 -1.664 1.00 0.00 C ATOM 377 CE LYS A 24 9.313 14.171 -1.792 1.00 0.00 C ATOM 378 NZ LYS A 24 10.103 14.492 -3.014 1.00 0.00 N ATOM 0 H LYS A 24 7.667 10.049 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 24 10.378 10.077 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.679 11.150 1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.850 11.748 0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.818 11.845 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.778 13.196 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.090 12.162 -1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.385 12.298 -2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.331 14.641 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.810 14.574 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.205 15.523 -3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.045 14.056 -2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.612 14.121 -3.852 1.00 0.00 H new ATOM 392 N PRO A 25 11.574 8.820 0.654 1.00 0.00 N ATOM 393 CA PRO A 25 12.205 7.771 1.468 1.00 0.00 C ATOM 394 C PRO A 25 11.981 8.039 2.959 1.00 0.00 C ATOM 395 O PRO A 25 12.836 8.574 3.638 1.00 0.00 O ATOM 396 CB PRO A 25 13.688 7.872 1.100 1.00 0.00 C ATOM 397 CG PRO A 25 13.903 9.300 0.543 1.00 0.00 C ATOM 398 CD PRO A 25 12.518 9.818 0.110 1.00 0.00 C ATOM 0 HA PRO A 25 11.796 6.778 1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.318 7.696 1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.956 7.121 0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.340 9.950 1.301 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.593 9.287 -0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.321 10.813 0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.441 9.890 -0.975 1.00 0.00 H new ATOM 406 N GLY A 26 10.837 7.669 3.476 1.00 0.00 N ATOM 407 CA GLY A 26 10.567 7.902 4.925 1.00 0.00 C ATOM 408 C GLY A 26 9.217 8.598 5.099 1.00 0.00 C ATOM 409 O GLY A 26 8.781 8.858 6.203 1.00 0.00 O ATOM 0 H GLY A 26 10.082 7.218 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.568 6.953 5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.359 8.513 5.357 1.00 0.00 H new ATOM 413 N ASP A 27 8.549 8.903 4.022 1.00 0.00 N ATOM 414 CA ASP A 27 7.228 9.581 4.138 1.00 0.00 C ATOM 415 C ASP A 27 6.175 8.575 4.605 1.00 0.00 C ATOM 416 O ASP A 27 6.454 7.407 4.787 1.00 0.00 O ATOM 417 CB ASP A 27 6.821 10.146 2.777 1.00 0.00 C ATOM 418 CG ASP A 27 7.481 11.510 2.572 1.00 0.00 C ATOM 419 OD1 ASP A 27 8.510 11.745 3.182 1.00 0.00 O ATOM 420 OD2 ASP A 27 6.944 12.297 1.810 1.00 0.00 O ATOM 0 H ASP A 27 8.859 8.713 3.069 1.00 0.00 H new ATOM 0 HA ASP A 27 7.302 10.393 4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.121 9.462 1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.737 10.243 2.721 1.00 0.00 H new ATOM 425 N THR A 28 4.966 9.020 4.798 1.00 0.00 N ATOM 426 CA THR A 28 3.894 8.097 5.251 1.00 0.00 C ATOM 427 C THR A 28 2.874 7.910 4.125 1.00 0.00 C ATOM 428 O THR A 28 2.748 8.738 3.244 1.00 0.00 O ATOM 429 CB THR A 28 3.194 8.685 6.479 1.00 0.00 C ATOM 430 OG1 THR A 28 4.098 8.705 7.574 1.00 0.00 O ATOM 431 CG2 THR A 28 1.979 7.827 6.833 1.00 0.00 C ATOM 0 H THR A 28 4.674 9.988 4.660 1.00 0.00 H new ATOM 0 HA THR A 28 4.332 7.134 5.511 1.00 0.00 H new ATOM 0 HB THR A 28 2.867 9.702 6.260 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.651 9.083 8.360 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.480 8.245 7.707 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.286 7.813 5.992 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.303 6.810 7.052 1.00 0.00 H new ATOM 439 N VAL A 29 2.143 6.830 4.149 1.00 0.00 N ATOM 440 CA VAL A 29 1.130 6.589 3.090 1.00 0.00 C ATOM 441 C VAL A 29 -0.201 6.221 3.748 1.00 0.00 C ATOM 442 O VAL A 29 -0.235 5.666 4.828 1.00 0.00 O ATOM 443 CB VAL A 29 1.597 5.448 2.186 1.00 0.00 C ATOM 444 CG1 VAL A 29 0.771 5.442 0.899 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.074 5.649 1.839 1.00 0.00 C ATOM 0 H VAL A 29 2.206 6.102 4.861 1.00 0.00 H new ATOM 0 HA VAL A 29 1.002 7.489 2.488 1.00 0.00 H new ATOM 0 HB VAL A 29 1.467 4.498 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.105 4.628 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.282 5.302 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.900 6.391 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.410 4.837 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.200 6.600 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.665 5.654 2.755 1.00 0.00 H new ATOM 455 N GLU A 30 -1.300 6.532 3.115 1.00 0.00 N ATOM 456 CA GLU A 30 -2.616 6.205 3.721 1.00 0.00 C ATOM 457 C GLU A 30 -3.472 5.412 2.732 1.00 0.00 C ATOM 458 O GLU A 30 -4.024 5.954 1.795 1.00 0.00 O ATOM 459 CB GLU A 30 -3.338 7.500 4.097 1.00 0.00 C ATOM 460 CG GLU A 30 -3.488 7.576 5.618 1.00 0.00 C ATOM 461 CD GLU A 30 -4.817 8.248 5.965 1.00 0.00 C ATOM 462 OE1 GLU A 30 -5.317 8.989 5.136 1.00 0.00 O ATOM 463 OE2 GLU A 30 -5.311 8.009 7.054 1.00 0.00 O ATOM 0 H GLU A 30 -1.340 6.997 2.208 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.455 5.600 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.777 8.361 3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.318 7.534 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.451 6.575 6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.660 8.139 6.048 1.00 0.00 H new ATOM 470 N PHE A 31 -3.598 4.132 2.948 1.00 0.00 N ATOM 471 CA PHE A 31 -4.430 3.291 2.039 1.00 0.00 C ATOM 472 C PHE A 31 -5.711 2.903 2.785 1.00 0.00 C ATOM 473 O PHE A 31 -5.749 1.915 3.486 1.00 0.00 O ATOM 474 CB PHE A 31 -3.662 2.017 1.637 1.00 0.00 C ATOM 475 CG PHE A 31 -2.249 2.047 2.191 1.00 0.00 C ATOM 476 CD1 PHE A 31 -2.010 1.692 3.525 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.180 2.428 1.368 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.707 1.718 4.035 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.123 2.453 1.880 1.00 0.00 C ATOM 480 CZ PHE A 31 0.359 2.099 3.213 1.00 0.00 C ATOM 0 H PHE A 31 -3.159 3.629 3.719 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.668 3.850 1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.186 1.137 2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.631 1.932 0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.832 1.398 4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.361 2.702 0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.524 1.444 5.064 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.947 2.746 1.246 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.364 2.120 3.607 1.00 0.00 H new ATOM 490 N LEU A 32 -6.753 3.686 2.656 1.00 0.00 N ATOM 491 CA LEU A 32 -8.017 3.385 3.389 1.00 0.00 C ATOM 492 C LEU A 32 -8.990 2.612 2.496 1.00 0.00 C ATOM 493 O LEU A 32 -8.859 2.579 1.288 1.00 0.00 O ATOM 494 CB LEU A 32 -8.669 4.703 3.814 1.00 0.00 C ATOM 495 CG LEU A 32 -8.978 5.544 2.574 1.00 0.00 C ATOM 496 CD1 LEU A 32 -10.379 6.146 2.702 1.00 0.00 C ATOM 497 CD2 LEU A 32 -7.950 6.672 2.452 1.00 0.00 C ATOM 0 H LEU A 32 -6.781 4.522 2.073 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.782 2.775 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.586 4.505 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.004 5.251 4.481 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.932 4.912 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.600 6.745 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.113 5.345 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.424 6.777 3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.170 7.271 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.996 7.304 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.951 6.246 2.361 1.00 0.00 H new ATOM 509 N ASN A 33 -9.960 1.975 3.098 1.00 0.00 N ATOM 510 CA ASN A 33 -10.948 1.178 2.317 1.00 0.00 C ATOM 511 C ASN A 33 -12.005 2.118 1.722 1.00 0.00 C ATOM 512 O ASN A 33 -12.190 3.224 2.189 1.00 0.00 O ATOM 513 CB ASN A 33 -11.593 0.144 3.262 1.00 0.00 C ATOM 514 CG ASN A 33 -12.880 0.666 3.905 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.173 1.840 3.876 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.662 -0.182 4.504 1.00 0.00 N ATOM 0 H ASN A 33 -10.110 1.974 4.107 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.460 0.655 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.812 -0.767 2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.882 -0.123 4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.521 0.142 4.949 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.417 -1.172 4.530 1.00 0.00 H new ATOM 523 N ASN A 34 -12.710 1.690 0.711 1.00 0.00 N ATOM 524 CA ASN A 34 -13.757 2.574 0.121 1.00 0.00 C ATOM 525 C ASN A 34 -15.137 2.101 0.587 1.00 0.00 C ATOM 526 O ASN A 34 -15.747 2.695 1.454 1.00 0.00 O ATOM 527 CB ASN A 34 -13.688 2.522 -1.408 1.00 0.00 C ATOM 528 CG ASN A 34 -14.658 3.554 -1.991 1.00 0.00 C ATOM 529 OD1 ASN A 34 -14.940 4.558 -1.366 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.182 3.351 -3.168 1.00 0.00 N ATOM 0 H ASN A 34 -12.609 0.776 0.271 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.588 3.600 0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.672 2.729 -1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.945 1.523 -1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.828 4.034 -3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.946 2.509 -3.693 1.00 0.00 H new ATOM 537 N LYS A 35 -15.631 1.034 0.022 1.00 0.00 N ATOM 538 CA LYS A 35 -16.967 0.517 0.435 1.00 0.00 C ATOM 539 C LYS A 35 -17.059 -0.964 0.070 1.00 0.00 C ATOM 540 O LYS A 35 -18.106 -1.468 -0.285 1.00 0.00 O ATOM 541 CB LYS A 35 -18.065 1.294 -0.292 1.00 0.00 C ATOM 542 CG LYS A 35 -17.769 1.308 -1.792 1.00 0.00 C ATOM 543 CD LYS A 35 -19.002 0.835 -2.563 1.00 0.00 C ATOM 544 CE LYS A 35 -18.658 0.725 -4.050 1.00 0.00 C ATOM 545 NZ LYS A 35 -19.844 0.226 -4.801 1.00 0.00 N ATOM 0 H LYS A 35 -15.166 0.496 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.095 0.641 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.035 0.834 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.117 2.314 0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.493 2.314 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.920 0.661 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.334 -0.131 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.825 1.535 -2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.353 1.698 -4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.815 0.048 -4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.656 -0.737 -5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.673 0.213 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -20.032 0.853 -5.609 1.00 0.00 H new ATOM 559 N VAL A 36 -15.962 -1.661 0.157 1.00 0.00 N ATOM 560 CA VAL A 36 -15.960 -3.111 -0.180 1.00 0.00 C ATOM 561 C VAL A 36 -14.821 -3.796 0.584 1.00 0.00 C ATOM 562 O VAL A 36 -13.878 -4.281 -0.009 1.00 0.00 O ATOM 563 CB VAL A 36 -15.753 -3.281 -1.687 1.00 0.00 C ATOM 564 CG1 VAL A 36 -16.010 -4.736 -2.081 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.730 -2.372 -2.437 1.00 0.00 C ATOM 0 H VAL A 36 -15.060 -1.286 0.449 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.911 -3.562 0.102 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.729 -3.013 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.862 -4.854 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.318 -5.386 -1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.034 -5.007 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.586 -2.490 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.753 -2.644 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.548 -1.334 -2.159 1.00 0.00 H new ATOM 575 N PRO A 37 -14.946 -3.799 1.888 1.00 0.00 N ATOM 576 CA PRO A 37 -13.946 -4.400 2.792 1.00 0.00 C ATOM 577 C PRO A 37 -14.094 -5.925 2.836 1.00 0.00 C ATOM 578 O PRO A 37 -15.014 -6.472 2.261 1.00 0.00 O ATOM 579 CB PRO A 37 -14.291 -3.786 4.154 1.00 0.00 C ATOM 580 CG PRO A 37 -15.768 -3.334 4.076 1.00 0.00 C ATOM 581 CD PRO A 37 -16.108 -3.201 2.583 1.00 0.00 C ATOM 0 HA PRO A 37 -12.920 -4.208 2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.151 -4.514 4.953 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.639 -2.941 4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.422 -4.060 4.559 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.910 -2.384 4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.031 -3.725 2.337 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.248 -2.158 2.298 1.00 0.00 H new ATOM 589 N PRO A 38 -13.198 -6.562 3.550 1.00 0.00 N ATOM 590 CA PRO A 38 -12.082 -5.893 4.246 1.00 0.00 C ATOM 591 C PRO A 38 -10.872 -5.747 3.321 1.00 0.00 C ATOM 592 O PRO A 38 -10.718 -6.482 2.367 1.00 0.00 O ATOM 593 CB PRO A 38 -11.745 -6.862 5.375 1.00 0.00 C ATOM 594 CG PRO A 38 -12.248 -8.257 4.918 1.00 0.00 C ATOM 595 CD PRO A 38 -13.246 -8.018 3.768 1.00 0.00 C ATOM 0 HA PRO A 38 -12.340 -4.890 4.586 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.672 -6.879 5.565 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.229 -6.560 6.304 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.416 -8.877 4.585 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.728 -8.784 5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.959 -8.565 2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.250 -8.349 4.036 1.00 0.00 H new ATOM 603 N HIS A 39 -10.004 -4.815 3.614 1.00 0.00 N ATOM 604 CA HIS A 39 -8.792 -4.621 2.765 1.00 0.00 C ATOM 605 C HIS A 39 -7.533 -4.861 3.598 1.00 0.00 C ATOM 606 O HIS A 39 -7.272 -4.170 4.562 1.00 0.00 O ATOM 607 CB HIS A 39 -8.766 -3.191 2.217 1.00 0.00 C ATOM 608 CG HIS A 39 -9.883 -3.022 1.230 1.00 0.00 C ATOM 609 ND1 HIS A 39 -9.681 -3.105 -0.146 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.227 -2.821 1.408 1.00 0.00 C ATOM 611 CE1 HIS A 39 -10.889 -2.958 -0.727 1.00 0.00 C ATOM 612 NE2 HIS A 39 -11.851 -2.792 0.175 1.00 0.00 N ATOM 0 H HIS A 39 -10.082 -4.178 4.407 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.823 -5.329 1.937 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.873 -2.474 3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.808 -2.989 1.738 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -8.791 -3.249 -0.622 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.721 -2.704 2.361 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.054 -2.973 -1.794 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.847 -2.668 -0.006 1.00 0.00 H new ATOM 620 N ASN A 40 -6.744 -5.830 3.226 1.00 0.00 N ATOM 621 CA ASN A 40 -5.494 -6.108 3.986 1.00 0.00 C ATOM 622 C ASN A 40 -4.314 -5.492 3.234 1.00 0.00 C ATOM 623 O ASN A 40 -4.116 -5.741 2.062 1.00 0.00 O ATOM 624 CB ASN A 40 -5.295 -7.620 4.106 1.00 0.00 C ATOM 625 CG ASN A 40 -3.951 -7.905 4.777 1.00 0.00 C ATOM 626 OD1 ASN A 40 -2.932 -7.387 4.366 1.00 0.00 O ATOM 627 ND2 ASN A 40 -3.906 -8.711 5.801 1.00 0.00 N ATOM 0 H ASN A 40 -6.911 -6.442 2.427 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.562 -5.677 4.985 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.105 -8.059 4.689 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.326 -8.081 3.119 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.015 -8.907 6.257 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.762 -9.146 6.146 1.00 0.00 H new ATOM 634 N VAL A 41 -3.535 -4.679 3.890 1.00 0.00 N ATOM 635 CA VAL A 41 -2.379 -4.043 3.196 1.00 0.00 C ATOM 636 C VAL A 41 -1.075 -4.713 3.631 1.00 0.00 C ATOM 637 O VAL A 41 -0.813 -4.890 4.804 1.00 0.00 O ATOM 638 CB VAL A 41 -2.331 -2.556 3.548 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.060 -1.935 2.966 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.557 -1.855 2.957 1.00 0.00 C ATOM 0 H VAL A 41 -3.647 -4.427 4.872 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.498 -4.162 2.119 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.330 -2.438 4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.025 -0.875 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.186 -2.435 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.061 -2.052 1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.525 -0.794 3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.556 -1.973 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.463 -2.298 3.370 1.00 0.00 H new ATOM 650 N VAL A 42 -0.252 -5.079 2.686 1.00 0.00 N ATOM 651 CA VAL A 42 1.043 -5.733 3.027 1.00 0.00 C ATOM 652 C VAL A 42 2.053 -5.441 1.915 1.00 0.00 C ATOM 653 O VAL A 42 1.715 -4.877 0.893 1.00 0.00 O ATOM 654 CB VAL A 42 0.846 -7.248 3.161 1.00 0.00 C ATOM 655 CG1 VAL A 42 0.594 -7.603 4.627 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.356 -7.691 2.324 1.00 0.00 C ATOM 0 H VAL A 42 -0.422 -4.952 1.688 1.00 0.00 H new ATOM 0 HA VAL A 42 1.412 -5.342 3.975 1.00 0.00 H new ATOM 0 HB VAL A 42 1.743 -7.757 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.454 -8.680 4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.449 -7.294 5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.301 -7.089 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.491 -8.768 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.252 -7.179 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.182 -7.442 1.277 1.00 0.00 H new ATOM 666 N PHE A 43 3.290 -5.811 2.101 1.00 0.00 N ATOM 667 CA PHE A 43 4.308 -5.539 1.047 1.00 0.00 C ATOM 668 C PHE A 43 4.998 -6.842 0.641 1.00 0.00 C ATOM 669 O PHE A 43 5.764 -7.412 1.393 1.00 0.00 O ATOM 670 CB PHE A 43 5.346 -4.552 1.585 1.00 0.00 C ATOM 671 CG PHE A 43 4.642 -3.430 2.299 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.048 -3.666 3.541 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.587 -2.154 1.726 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.398 -2.629 4.212 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.938 -1.115 2.401 1.00 0.00 C ATOM 676 CZ PHE A 43 3.343 -1.354 3.643 1.00 0.00 C ATOM 0 H PHE A 43 3.639 -6.287 2.933 1.00 0.00 H new ATOM 0 HA PHE A 43 3.816 -5.110 0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.029 -5.060 2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.947 -4.157 0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.092 -4.651 3.982 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.045 -1.972 0.765 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.937 -2.812 5.171 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.897 -0.129 1.963 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.840 -0.552 4.163 1.00 0.00 H new ATOM 686 N ASP A 44 4.733 -7.314 -0.546 1.00 0.00 N ATOM 687 CA ASP A 44 5.374 -8.578 -1.009 1.00 0.00 C ATOM 688 C ASP A 44 6.875 -8.526 -0.711 1.00 0.00 C ATOM 689 O ASP A 44 7.544 -7.559 -1.016 1.00 0.00 O ATOM 690 CB ASP A 44 5.156 -8.734 -2.515 1.00 0.00 C ATOM 691 CG ASP A 44 5.501 -10.164 -2.934 1.00 0.00 C ATOM 692 OD1 ASP A 44 6.354 -10.758 -2.295 1.00 0.00 O ATOM 693 OD2 ASP A 44 4.906 -10.640 -3.886 1.00 0.00 O ATOM 0 H ASP A 44 4.099 -6.879 -1.216 1.00 0.00 H new ATOM 0 HA ASP A 44 4.930 -9.426 -0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.120 -8.509 -2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.779 -8.024 -3.059 1.00 0.00 H new ATOM 698 N ALA A 45 7.407 -9.556 -0.113 1.00 0.00 N ATOM 699 CA ALA A 45 8.858 -9.564 0.210 1.00 0.00 C ATOM 700 C ALA A 45 9.651 -10.150 -0.961 1.00 0.00 C ATOM 701 O ALA A 45 10.786 -10.556 -0.809 1.00 0.00 O ATOM 702 CB ALA A 45 9.093 -10.416 1.460 1.00 0.00 C ATOM 0 H ALA A 45 6.896 -10.394 0.166 1.00 0.00 H new ATOM 0 HA ALA A 45 9.191 -8.542 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.156 -10.424 1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.535 -9.996 2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.755 -11.436 1.274 1.00 0.00 H new ATOM 708 N ALA A 46 9.069 -10.200 -2.129 1.00 0.00 N ATOM 709 CA ALA A 46 9.803 -10.762 -3.299 1.00 0.00 C ATOM 710 C ALA A 46 9.906 -9.703 -4.399 1.00 0.00 C ATOM 711 O ALA A 46 10.310 -9.985 -5.510 1.00 0.00 O ATOM 712 CB ALA A 46 9.055 -11.985 -3.833 1.00 0.00 C ATOM 0 H ALA A 46 8.121 -9.877 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 46 10.805 -11.057 -2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.592 -12.395 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.988 -12.741 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.052 -11.692 -4.141 1.00 0.00 H new ATOM 718 N LEU A 47 9.544 -8.486 -4.101 1.00 0.00 N ATOM 719 CA LEU A 47 9.622 -7.414 -5.133 1.00 0.00 C ATOM 720 C LEU A 47 10.334 -6.193 -4.547 1.00 0.00 C ATOM 721 O LEU A 47 9.778 -5.116 -4.470 1.00 0.00 O ATOM 722 CB LEU A 47 8.209 -7.019 -5.567 1.00 0.00 C ATOM 723 CG LEU A 47 7.556 -8.188 -6.305 1.00 0.00 C ATOM 724 CD1 LEU A 47 6.096 -8.318 -5.866 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.613 -7.934 -7.813 1.00 0.00 C ATOM 0 H LEU A 47 9.198 -8.188 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 47 10.178 -7.781 -5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.613 -6.746 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.248 -6.143 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 47 8.090 -9.109 -6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.631 -9.151 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.054 -8.498 -4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.562 -7.397 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.148 -8.767 -8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.079 -7.013 -8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.653 -7.841 -8.127 1.00 0.00 H new ATOM 737 N ASN A 48 11.561 -6.352 -4.131 1.00 0.00 N ATOM 738 CA ASN A 48 12.304 -5.199 -3.548 1.00 0.00 C ATOM 739 C ASN A 48 13.579 -4.950 -4.358 1.00 0.00 C ATOM 740 O ASN A 48 14.005 -5.798 -5.117 1.00 0.00 O ATOM 741 CB ASN A 48 12.675 -5.511 -2.098 1.00 0.00 C ATOM 742 CG ASN A 48 12.939 -7.010 -1.947 1.00 0.00 C ATOM 743 OD1 ASN A 48 13.179 -7.697 -2.920 1.00 0.00 O ATOM 744 ND2 ASN A 48 12.911 -7.550 -0.760 1.00 0.00 N ATOM 0 H ASN A 48 12.080 -7.229 -4.170 1.00 0.00 H new ATOM 0 HA ASN A 48 11.674 -4.310 -3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.560 -4.945 -1.809 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.869 -5.205 -1.432 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.090 -8.548 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.710 -6.974 0.058 1.00 0.00 H new ATOM 751 N PRO A 49 14.148 -3.786 -4.173 1.00 0.00 N ATOM 752 CA PRO A 49 15.377 -3.382 -4.877 1.00 0.00 C ATOM 753 C PRO A 49 16.607 -4.046 -4.250 1.00 0.00 C ATOM 754 O PRO A 49 17.462 -4.565 -4.940 1.00 0.00 O ATOM 755 CB PRO A 49 15.421 -1.865 -4.683 1.00 0.00 C ATOM 756 CG PRO A 49 14.559 -1.559 -3.435 1.00 0.00 C ATOM 757 CD PRO A 49 13.618 -2.764 -3.245 1.00 0.00 C ATOM 0 HA PRO A 49 15.380 -3.676 -5.927 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.446 -1.521 -4.541 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.031 -1.350 -5.561 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.187 -1.415 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.989 -0.640 -3.573 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.627 -3.118 -2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.586 -2.506 -3.484 1.00 0.00 H new ATOM 765 N ALA A 50 16.709 -4.028 -2.948 1.00 0.00 N ATOM 766 CA ALA A 50 17.891 -4.652 -2.288 1.00 0.00 C ATOM 767 C ALA A 50 17.446 -5.839 -1.432 1.00 0.00 C ATOM 768 O ALA A 50 17.983 -6.082 -0.370 1.00 0.00 O ATOM 769 CB ALA A 50 18.585 -3.614 -1.404 1.00 0.00 C ATOM 0 H ALA A 50 16.027 -3.610 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 50 18.584 -5.005 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 50 19.450 -4.068 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 50 18.912 -2.774 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 50 17.889 -3.259 -0.644 1.00 0.00 H new ATOM 775 N LYS A 51 16.476 -6.583 -1.897 1.00 0.00 N ATOM 776 CA LYS A 51 15.985 -7.769 -1.131 1.00 0.00 C ATOM 777 C LYS A 51 16.015 -7.487 0.373 1.00 0.00 C ATOM 778 O LYS A 51 16.485 -8.290 1.154 1.00 0.00 O ATOM 779 CB LYS A 51 16.863 -8.981 -1.441 1.00 0.00 C ATOM 780 CG LYS A 51 18.330 -8.564 -1.425 1.00 0.00 C ATOM 781 CD LYS A 51 19.203 -9.756 -1.798 1.00 0.00 C ATOM 782 CE LYS A 51 20.587 -9.248 -2.181 1.00 0.00 C ATOM 783 NZ LYS A 51 20.801 -9.439 -3.642 1.00 0.00 N ATOM 0 H LYS A 51 15.998 -6.418 -2.783 1.00 0.00 H new ATOM 0 HA LYS A 51 14.957 -7.975 -1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.689 -9.767 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.602 -9.393 -2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 51 18.494 -7.746 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 51 18.603 -8.195 -0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.274 -10.449 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.759 -10.304 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.683 -8.193 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.351 -9.784 -1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.746 -9.092 -3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.727 -10.450 -3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.079 -8.909 -4.171 1.00 0.00 H new ATOM 797 N SER A 52 15.516 -6.354 0.788 1.00 0.00 N ATOM 798 CA SER A 52 15.520 -6.030 2.242 1.00 0.00 C ATOM 799 C SER A 52 14.137 -6.318 2.830 1.00 0.00 C ATOM 800 O SER A 52 13.272 -5.465 2.857 1.00 0.00 O ATOM 801 CB SER A 52 15.864 -4.553 2.437 1.00 0.00 C ATOM 802 OG SER A 52 17.252 -4.359 2.196 1.00 0.00 O ATOM 0 H SER A 52 15.107 -5.641 0.184 1.00 0.00 H new ATOM 0 HA SER A 52 16.265 -6.643 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.275 -3.938 1.757 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.612 -4.239 3.450 1.00 0.00 H new ATOM 0 HG SER A 52 17.523 -4.877 1.409 1.00 0.00 H new ATOM 808 N ALA A 53 13.921 -7.517 3.299 1.00 0.00 N ATOM 809 CA ALA A 53 12.595 -7.862 3.885 1.00 0.00 C ATOM 810 C ALA A 53 12.475 -7.240 5.277 1.00 0.00 C ATOM 811 O ALA A 53 11.392 -7.077 5.802 1.00 0.00 O ATOM 812 CB ALA A 53 12.464 -9.383 3.993 1.00 0.00 C ATOM 0 H ALA A 53 14.606 -8.273 3.301 1.00 0.00 H new ATOM 0 HA ALA A 53 11.803 -7.474 3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.494 -9.635 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.549 -9.827 3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.256 -9.772 4.633 1.00 0.00 H new ATOM 818 N ASP A 54 13.578 -6.891 5.879 1.00 0.00 N ATOM 819 CA ASP A 54 13.525 -6.279 7.236 1.00 0.00 C ATOM 820 C ASP A 54 12.629 -5.039 7.202 1.00 0.00 C ATOM 821 O ASP A 54 12.066 -4.640 8.202 1.00 0.00 O ATOM 822 CB ASP A 54 14.936 -5.872 7.667 1.00 0.00 C ATOM 823 CG ASP A 54 15.457 -6.859 8.713 1.00 0.00 C ATOM 824 OD1 ASP A 54 14.684 -7.238 9.578 1.00 0.00 O ATOM 825 OD2 ASP A 54 16.619 -7.219 8.632 1.00 0.00 O ATOM 0 H ASP A 54 14.514 -7.003 5.490 1.00 0.00 H new ATOM 0 HA ASP A 54 13.121 -7.002 7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.601 -5.857 6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.925 -4.863 8.078 1.00 0.00 H new ATOM 830 N LEU A 55 12.495 -4.424 6.059 1.00 0.00 N ATOM 831 CA LEU A 55 11.640 -3.207 5.960 1.00 0.00 C ATOM 832 C LEU A 55 10.163 -3.612 5.967 1.00 0.00 C ATOM 833 O LEU A 55 9.300 -2.844 6.342 1.00 0.00 O ATOM 834 CB LEU A 55 11.968 -2.459 4.660 1.00 0.00 C ATOM 835 CG LEU A 55 11.288 -3.148 3.472 1.00 0.00 C ATOM 836 CD1 LEU A 55 9.946 -2.469 3.190 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.184 -3.039 2.236 1.00 0.00 C ATOM 0 H LEU A 55 12.941 -4.712 5.188 1.00 0.00 H new ATOM 0 HA LEU A 55 11.835 -2.555 6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.632 -1.424 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.047 -2.434 4.508 1.00 0.00 H new ATOM 0 HG LEU A 55 11.122 -4.199 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.461 -2.958 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.307 -2.547 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.113 -1.418 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.700 -3.529 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.351 -1.988 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.140 -3.522 2.436 1.00 0.00 H new ATOM 849 N ALA A 56 9.866 -4.812 5.551 1.00 0.00 N ATOM 850 CA ALA A 56 8.446 -5.263 5.529 1.00 0.00 C ATOM 851 C ALA A 56 7.969 -5.551 6.954 1.00 0.00 C ATOM 852 O ALA A 56 6.966 -5.032 7.400 1.00 0.00 O ATOM 853 CB ALA A 56 8.329 -6.536 4.689 1.00 0.00 C ATOM 0 H ALA A 56 10.545 -5.500 5.225 1.00 0.00 H new ATOM 0 HA ALA A 56 7.828 -4.477 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.291 -6.867 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.661 -6.332 3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.952 -7.318 5.124 1.00 0.00 H new ATOM 859 N LYS A 57 8.677 -6.380 7.671 1.00 0.00 N ATOM 860 CA LYS A 57 8.260 -6.705 9.065 1.00 0.00 C ATOM 861 C LYS A 57 7.836 -5.424 9.790 1.00 0.00 C ATOM 862 O LYS A 57 7.049 -5.456 10.714 1.00 0.00 O ATOM 863 CB LYS A 57 9.432 -7.348 9.812 1.00 0.00 C ATOM 864 CG LYS A 57 9.293 -8.872 9.774 1.00 0.00 C ATOM 865 CD LYS A 57 8.618 -9.358 11.059 1.00 0.00 C ATOM 866 CE LYS A 57 7.700 -10.540 10.739 1.00 0.00 C ATOM 867 NZ LYS A 57 7.548 -11.394 11.950 1.00 0.00 N ATOM 0 H LYS A 57 9.526 -6.846 7.352 1.00 0.00 H new ATOM 0 HA LYS A 57 7.420 -7.399 9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.375 -7.048 9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.452 -7.000 10.845 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.705 -9.172 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.275 -9.334 9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.372 -9.656 11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.043 -8.549 11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.725 -10.179 10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.115 -11.125 9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.924 -12.197 11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.480 -11.749 12.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.133 -10.833 12.721 1.00 0.00 H new ATOM 881 N SER A 58 8.353 -4.296 9.383 1.00 0.00 N ATOM 882 CA SER A 58 7.977 -3.023 10.060 1.00 0.00 C ATOM 883 C SER A 58 7.135 -2.161 9.116 1.00 0.00 C ATOM 884 O SER A 58 7.046 -0.960 9.273 1.00 0.00 O ATOM 885 CB SER A 58 9.244 -2.263 10.454 1.00 0.00 C ATOM 886 OG SER A 58 9.679 -2.707 11.733 1.00 0.00 O ATOM 0 H SER A 58 9.017 -4.202 8.614 1.00 0.00 H new ATOM 0 HA SER A 58 7.394 -3.249 10.953 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.026 -2.428 9.713 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.047 -1.191 10.476 1.00 0.00 H new ATOM 0 HG SER A 58 10.492 -2.223 11.988 1.00 0.00 H new ATOM 892 N LEU A 59 6.513 -2.762 8.139 1.00 0.00 N ATOM 893 CA LEU A 59 5.674 -1.969 7.196 1.00 0.00 C ATOM 894 C LEU A 59 4.288 -2.607 7.103 1.00 0.00 C ATOM 895 O LEU A 59 3.287 -1.926 7.002 1.00 0.00 O ATOM 896 CB LEU A 59 6.322 -1.960 5.809 1.00 0.00 C ATOM 897 CG LEU A 59 5.999 -0.646 5.097 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.676 0.514 5.829 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.518 -0.708 3.660 1.00 0.00 C ATOM 0 H LEU A 59 6.549 -3.764 7.953 1.00 0.00 H new ATOM 0 HA LEU A 59 5.588 -0.945 7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.402 -2.079 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.957 -2.802 5.221 1.00 0.00 H new ATOM 0 HG LEU A 59 4.920 -0.492 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.445 1.450 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.311 0.559 6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.755 0.361 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.289 0.228 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.597 -0.862 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.038 -1.534 3.135 1.00 0.00 H new ATOM 911 N SER A 60 4.223 -3.912 7.139 1.00 0.00 N ATOM 912 CA SER A 60 2.903 -4.598 7.048 1.00 0.00 C ATOM 913 C SER A 60 2.187 -4.514 8.397 1.00 0.00 C ATOM 914 O SER A 60 2.795 -4.604 9.445 1.00 0.00 O ATOM 915 CB SER A 60 3.120 -6.066 6.681 1.00 0.00 C ATOM 916 OG SER A 60 4.512 -6.353 6.694 1.00 0.00 O ATOM 0 H SER A 60 5.028 -4.532 7.228 1.00 0.00 H new ATOM 0 HA SER A 60 2.295 -4.114 6.284 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.598 -6.710 7.388 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.704 -6.271 5.695 1.00 0.00 H new ATOM 0 HG SER A 60 4.654 -7.294 6.461 1.00 0.00 H new ATOM 922 N HIS A 61 0.895 -4.330 8.373 1.00 0.00 N ATOM 923 CA HIS A 61 0.128 -4.225 9.646 1.00 0.00 C ATOM 924 C HIS A 61 -0.549 -5.562 9.957 1.00 0.00 C ATOM 925 O HIS A 61 -0.874 -5.855 11.091 1.00 0.00 O ATOM 926 CB HIS A 61 -0.937 -3.136 9.502 1.00 0.00 C ATOM 927 CG HIS A 61 -1.844 -3.470 8.349 1.00 0.00 C ATOM 928 ND1 HIS A 61 -2.735 -4.536 8.396 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.008 -2.893 7.114 1.00 0.00 C ATOM 930 CE1 HIS A 61 -3.387 -4.562 7.216 1.00 0.00 C ATOM 931 NE2 HIS A 61 -2.981 -3.585 6.405 1.00 0.00 N ATOM 0 H HIS A 61 0.336 -4.248 7.524 1.00 0.00 H new ATOM 0 HA HIS A 61 0.808 -3.972 10.459 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.516 -3.055 10.422 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.463 -2.168 9.337 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.870 -5.178 9.177 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.464 -2.034 6.750 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.146 -5.286 6.959 1.00 0.00 H new ATOM 939 N LYS A 62 -0.770 -6.375 8.960 1.00 0.00 N ATOM 940 CA LYS A 62 -1.432 -7.688 9.203 1.00 0.00 C ATOM 941 C LYS A 62 -2.902 -7.454 9.552 1.00 0.00 C ATOM 942 O LYS A 62 -3.792 -7.830 8.815 1.00 0.00 O ATOM 943 CB LYS A 62 -0.737 -8.404 10.365 1.00 0.00 C ATOM 944 CG LYS A 62 -0.087 -9.693 9.855 1.00 0.00 C ATOM 945 CD LYS A 62 -1.097 -10.840 9.931 1.00 0.00 C ATOM 946 CE LYS A 62 -0.352 -12.176 9.959 1.00 0.00 C ATOM 947 NZ LYS A 62 -0.532 -12.875 8.655 1.00 0.00 N ATOM 0 H LYS A 62 -0.521 -6.187 7.989 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.363 -8.304 8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.018 -7.754 10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.459 -8.634 11.149 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.251 -9.560 8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.793 -9.930 10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.714 -10.737 10.824 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.769 -10.804 9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.708 -12.009 10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.729 -12.797 10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.025 -13.783 8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.544 -13.047 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.152 -12.283 7.889 1.00 0.00 H new ATOM 961 N GLN A 63 -3.165 -6.829 10.668 1.00 0.00 N ATOM 962 CA GLN A 63 -4.578 -6.567 11.058 1.00 0.00 C ATOM 963 C GLN A 63 -5.350 -6.035 9.849 1.00 0.00 C ATOM 964 O GLN A 63 -4.947 -5.084 9.211 1.00 0.00 O ATOM 965 CB GLN A 63 -4.614 -5.530 12.183 1.00 0.00 C ATOM 966 CG GLN A 63 -5.109 -6.192 13.471 1.00 0.00 C ATOM 967 CD GLN A 63 -3.914 -6.721 14.268 1.00 0.00 C ATOM 968 OE1 GLN A 63 -3.039 -5.967 14.646 1.00 0.00 O ATOM 969 NE2 GLN A 63 -3.840 -7.995 14.542 1.00 0.00 N ATOM 0 H GLN A 63 -2.463 -6.489 11.325 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.037 -7.493 11.404 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.620 -5.109 12.336 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.271 -4.704 11.910 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.669 -5.473 14.069 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.791 -7.009 13.233 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.574 -8.628 14.225 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.048 -8.357 15.073 1.00 0.00 H new ATOM 978 N LEU A 64 -6.458 -6.644 9.528 1.00 0.00 N ATOM 979 CA LEU A 64 -7.256 -6.178 8.359 1.00 0.00 C ATOM 980 C LEU A 64 -7.855 -4.802 8.658 1.00 0.00 C ATOM 981 O LEU A 64 -7.810 -4.322 9.774 1.00 0.00 O ATOM 982 CB LEU A 64 -8.388 -7.171 8.090 1.00 0.00 C ATOM 983 CG LEU A 64 -7.808 -8.470 7.531 1.00 0.00 C ATOM 984 CD1 LEU A 64 -7.554 -9.451 8.678 1.00 0.00 C ATOM 985 CD2 LEU A 64 -8.801 -9.088 6.545 1.00 0.00 C ATOM 0 H LEU A 64 -6.846 -7.446 10.026 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.608 -6.110 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.936 -7.372 9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.099 -6.744 7.383 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.869 -8.258 7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.140 -10.377 8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.848 -9.012 9.383 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.493 -9.663 9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.388 -10.014 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.739 -9.300 7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.984 -8.390 5.728 1.00 0.00 H new ATOM 997 N LEU A 65 -8.423 -4.168 7.668 1.00 0.00 N ATOM 998 CA LEU A 65 -9.035 -2.828 7.889 1.00 0.00 C ATOM 999 C LEU A 65 -10.542 -2.922 7.647 1.00 0.00 C ATOM 1000 O LEU A 65 -11.000 -2.926 6.521 1.00 0.00 O ATOM 1001 CB LEU A 65 -8.426 -1.817 6.916 1.00 0.00 C ATOM 1002 CG LEU A 65 -6.901 -1.937 6.938 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -6.333 -1.468 5.596 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -6.338 -1.064 8.062 1.00 0.00 C ATOM 0 H LEU A 65 -8.489 -4.522 6.714 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.844 -2.503 8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.800 -1.996 5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.725 -0.806 7.192 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.620 -2.976 7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.246 -1.553 5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.735 -2.088 4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.613 -0.428 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.251 -1.149 8.079 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.618 -0.025 7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.743 -1.396 9.018 1.00 0.00 H new ATOM 1016 N MET A 66 -11.316 -3.007 8.693 1.00 0.00 N ATOM 1017 CA MET A 66 -12.792 -3.109 8.520 1.00 0.00 C ATOM 1018 C MET A 66 -13.429 -1.727 8.673 1.00 0.00 C ATOM 1019 O MET A 66 -14.634 -1.581 8.619 1.00 0.00 O ATOM 1020 CB MET A 66 -13.362 -4.054 9.579 1.00 0.00 C ATOM 1021 CG MET A 66 -12.814 -5.465 9.351 1.00 0.00 C ATOM 1022 SD MET A 66 -13.441 -6.574 10.636 1.00 0.00 S ATOM 1023 CE MET A 66 -12.311 -7.950 10.314 1.00 0.00 C ATOM 0 H MET A 66 -10.991 -3.010 9.660 1.00 0.00 H new ATOM 0 HA MET A 66 -13.013 -3.497 7.526 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.094 -3.705 10.576 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.451 -4.062 9.527 1.00 0.00 H new ATOM 0 HG2 MET A 66 -13.112 -5.827 8.367 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.724 -5.450 9.369 1.00 0.00 H new ATOM 0 HE1 MET A 66 -12.522 -8.764 11.007 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.447 -8.300 9.291 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.282 -7.616 10.450 1.00 0.00 H new ATOM 1033 N SER A 67 -12.634 -0.709 8.862 1.00 0.00 N ATOM 1034 CA SER A 67 -13.204 0.659 9.016 1.00 0.00 C ATOM 1035 C SER A 67 -13.546 1.223 7.631 1.00 0.00 C ATOM 1036 O SER A 67 -12.802 1.034 6.689 1.00 0.00 O ATOM 1037 CB SER A 67 -12.179 1.567 9.698 1.00 0.00 C ATOM 1038 OG SER A 67 -12.805 2.789 10.065 1.00 0.00 O ATOM 0 H SER A 67 -11.617 -0.765 8.916 1.00 0.00 H new ATOM 0 HA SER A 67 -14.106 0.612 9.626 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.770 1.075 10.581 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.343 1.761 9.026 1.00 0.00 H new ATOM 0 HG SER A 67 -13.435 2.627 10.798 1.00 0.00 H new ATOM 1044 N PRO A 68 -14.668 1.896 7.547 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.143 2.495 6.286 1.00 0.00 C ATOM 1046 C PRO A 68 -14.403 3.803 5.989 1.00 0.00 C ATOM 1047 O PRO A 68 -14.838 4.873 6.366 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.628 2.757 6.551 1.00 0.00 C ATOM 1049 CG PRO A 68 -16.794 2.827 8.088 1.00 0.00 C ATOM 1050 CD PRO A 68 -15.568 2.120 8.697 1.00 0.00 C ATOM 0 HA PRO A 68 -14.972 1.854 5.421 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.947 3.689 6.083 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.243 1.962 6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.851 3.862 8.425 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -17.717 2.339 8.400 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.092 2.735 9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.847 1.180 9.173 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.290 3.727 5.308 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.533 4.968 4.981 1.00 0.00 C ATOM 1060 C GLY A 69 -11.565 5.284 6.117 1.00 0.00 C ATOM 1061 O GLY A 69 -11.501 6.396 6.603 1.00 0.00 O ATOM 0 H GLY A 69 -12.874 2.861 4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.986 4.838 4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.222 5.800 4.834 1.00 0.00 H new ATOM 1065 N GLN A 70 -10.809 4.313 6.545 1.00 0.00 N ATOM 1066 CA GLN A 70 -9.843 4.552 7.650 1.00 0.00 C ATOM 1067 C GLN A 70 -8.969 3.312 7.827 1.00 0.00 C ATOM 1068 O GLN A 70 -9.310 2.398 8.551 1.00 0.00 O ATOM 1069 CB GLN A 70 -10.606 4.829 8.946 1.00 0.00 C ATOM 1070 CG GLN A 70 -10.084 6.120 9.581 1.00 0.00 C ATOM 1071 CD GLN A 70 -11.244 6.877 10.230 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -12.140 7.337 9.551 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -11.266 7.025 11.527 1.00 0.00 N ATOM 0 H GLN A 70 -10.819 3.362 6.176 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.217 5.412 7.411 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.673 4.918 8.740 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.483 3.996 9.638 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.324 5.889 10.328 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.608 6.743 8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.514 6.639 12.097 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.036 7.527 11.970 1.00 0.00 H new ATOM 1082 N SER A 71 -7.842 3.274 7.175 1.00 0.00 N ATOM 1083 CA SER A 71 -6.948 2.094 7.311 1.00 0.00 C ATOM 1084 C SER A 71 -5.842 2.433 8.320 1.00 0.00 C ATOM 1085 O SER A 71 -6.081 3.091 9.312 1.00 0.00 O ATOM 1086 CB SER A 71 -6.317 1.775 5.962 1.00 0.00 C ATOM 1087 OG SER A 71 -5.565 2.901 5.528 1.00 0.00 O ATOM 0 H SER A 71 -7.502 4.009 6.554 1.00 0.00 H new ATOM 0 HA SER A 71 -7.520 1.231 7.654 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.672 0.900 6.045 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.090 1.533 5.232 1.00 0.00 H new ATOM 0 HG SER A 71 -4.914 2.619 4.853 1.00 0.00 H new ATOM 1093 N THR A 72 -4.629 2.014 8.066 1.00 0.00 N ATOM 1094 CA THR A 72 -3.516 2.341 8.996 1.00 0.00 C ATOM 1095 C THR A 72 -2.427 3.070 8.206 1.00 0.00 C ATOM 1096 O THR A 72 -1.985 2.605 7.174 1.00 0.00 O ATOM 1097 CB THR A 72 -2.946 1.051 9.593 1.00 0.00 C ATOM 1098 OG1 THR A 72 -1.904 1.373 10.503 1.00 0.00 O ATOM 1099 CG2 THR A 72 -2.393 0.167 8.475 1.00 0.00 C ATOM 0 H THR A 72 -4.365 1.459 7.252 1.00 0.00 H new ATOM 0 HA THR A 72 -3.878 2.973 9.807 1.00 0.00 H new ATOM 0 HB THR A 72 -3.736 0.515 10.118 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.539 0.549 10.887 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.988 -0.750 8.903 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.193 -0.080 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.603 0.700 7.946 1.00 0.00 H new ATOM 1107 N SER A 73 -1.999 4.212 8.669 1.00 0.00 N ATOM 1108 CA SER A 73 -0.950 4.964 7.925 1.00 0.00 C ATOM 1109 C SER A 73 0.422 4.355 8.215 1.00 0.00 C ATOM 1110 O SER A 73 1.051 4.658 9.209 1.00 0.00 O ATOM 1111 CB SER A 73 -0.960 6.430 8.362 1.00 0.00 C ATOM 1112 OG SER A 73 -0.243 6.562 9.582 1.00 0.00 O ATOM 0 H SER A 73 -2.329 4.655 9.526 1.00 0.00 H new ATOM 0 HA SER A 73 -1.155 4.903 6.856 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.507 7.054 7.592 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.986 6.776 8.490 1.00 0.00 H new ATOM 0 HG SER A 73 0.021 5.675 9.904 1.00 0.00 H new ATOM 1118 N THR A 74 0.891 3.500 7.348 1.00 0.00 N ATOM 1119 CA THR A 74 2.222 2.876 7.568 1.00 0.00 C ATOM 1120 C THR A 74 3.311 3.930 7.374 1.00 0.00 C ATOM 1121 O THR A 74 3.519 4.429 6.286 1.00 0.00 O ATOM 1122 CB THR A 74 2.428 1.739 6.565 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.181 1.114 6.295 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.402 0.715 7.149 1.00 0.00 C ATOM 0 H THR A 74 0.409 3.208 6.498 1.00 0.00 H new ATOM 0 HA THR A 74 2.274 2.477 8.581 1.00 0.00 H new ATOM 0 HB THR A 74 2.839 2.140 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.965 1.212 5.344 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.549 -0.095 6.435 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.358 1.197 7.353 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.994 0.312 8.076 1.00 0.00 H new ATOM 1132 N THR A 75 4.007 4.271 8.420 1.00 0.00 N ATOM 1133 CA THR A 75 5.083 5.290 8.298 1.00 0.00 C ATOM 1134 C THR A 75 6.328 4.634 7.705 1.00 0.00 C ATOM 1135 O THR A 75 7.183 4.147 8.419 1.00 0.00 O ATOM 1136 CB THR A 75 5.411 5.850 9.684 1.00 0.00 C ATOM 1137 OG1 THR A 75 4.225 6.355 10.282 1.00 0.00 O ATOM 1138 CG2 THR A 75 6.439 6.976 9.555 1.00 0.00 C ATOM 0 H THR A 75 3.877 3.887 9.356 1.00 0.00 H new ATOM 0 HA THR A 75 4.752 6.101 7.649 1.00 0.00 H new ATOM 0 HB THR A 75 5.824 5.056 10.307 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.433 6.712 11.170 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.670 7.373 10.544 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.349 6.587 9.098 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.031 7.771 8.931 1.00 0.00 H new ATOM 1146 N PHE A 76 6.437 4.615 6.404 1.00 0.00 N ATOM 1147 CA PHE A 76 7.628 3.990 5.764 1.00 0.00 C ATOM 1148 C PHE A 76 8.885 4.414 6.533 1.00 0.00 C ATOM 1149 O PHE A 76 8.864 5.390 7.256 1.00 0.00 O ATOM 1150 CB PHE A 76 7.729 4.458 4.309 1.00 0.00 C ATOM 1151 CG PHE A 76 6.903 3.553 3.420 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.505 3.535 3.534 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.537 2.735 2.477 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.747 2.699 2.702 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.778 1.899 1.648 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.385 1.882 1.761 1.00 0.00 C ATOM 0 H PHE A 76 5.752 5.006 5.757 1.00 0.00 H new ATOM 0 HA PHE A 76 7.535 2.904 5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.378 5.486 4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.770 4.449 3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.013 4.164 4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.613 2.749 2.389 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.670 2.685 2.787 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.269 1.268 0.922 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.800 1.238 1.121 1.00 0.00 H new ATOM 1166 N PRO A 77 9.940 3.662 6.361 1.00 0.00 N ATOM 1167 CA PRO A 77 11.221 3.931 7.037 1.00 0.00 C ATOM 1168 C PRO A 77 11.963 5.096 6.386 1.00 0.00 C ATOM 1169 O PRO A 77 11.844 5.346 5.204 1.00 0.00 O ATOM 1170 CB PRO A 77 12.002 2.630 6.866 1.00 0.00 C ATOM 1171 CG PRO A 77 11.375 1.899 5.654 1.00 0.00 C ATOM 1172 CD PRO A 77 9.958 2.479 5.477 1.00 0.00 C ATOM 0 HA PRO A 77 11.087 4.215 8.081 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.059 2.832 6.693 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.937 2.017 7.765 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.973 2.055 4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.335 0.824 5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.766 2.754 4.440 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.193 1.757 5.762 1.00 0.00 H new ATOM 1180 N ALA A 78 12.739 5.799 7.160 1.00 0.00 N ATOM 1181 CA ALA A 78 13.508 6.948 6.607 1.00 0.00 C ATOM 1182 C ALA A 78 14.601 6.419 5.680 1.00 0.00 C ATOM 1183 O ALA A 78 15.227 7.163 4.951 1.00 0.00 O ATOM 1184 CB ALA A 78 14.147 7.735 7.753 1.00 0.00 C ATOM 0 H ALA A 78 12.875 5.627 8.156 1.00 0.00 H new ATOM 0 HA ALA A 78 12.839 7.603 6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.710 8.576 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.368 8.107 8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 78 14.820 7.084 8.311 1.00 0.00 H new ATOM 1190 N ASP A 79 14.833 5.135 5.700 1.00 0.00 N ATOM 1191 CA ASP A 79 15.880 4.555 4.818 1.00 0.00 C ATOM 1192 C ASP A 79 15.213 3.926 3.595 1.00 0.00 C ATOM 1193 O ASP A 79 15.815 3.147 2.883 1.00 0.00 O ATOM 1194 CB ASP A 79 16.659 3.484 5.585 1.00 0.00 C ATOM 1195 CG ASP A 79 17.857 4.127 6.286 1.00 0.00 C ATOM 1196 OD1 ASP A 79 17.665 5.142 6.934 1.00 0.00 O ATOM 1197 OD2 ASP A 79 18.947 3.592 6.164 1.00 0.00 O ATOM 0 H ASP A 79 14.341 4.464 6.290 1.00 0.00 H new ATOM 0 HA ASP A 79 16.566 5.339 4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.011 3.003 6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.999 2.707 4.901 1.00 0.00 H new ATOM 1202 N ALA A 80 13.969 4.259 3.351 1.00 0.00 N ATOM 1203 CA ALA A 80 13.252 3.686 2.174 1.00 0.00 C ATOM 1204 C ALA A 80 14.211 3.618 0.980 1.00 0.00 C ATOM 1205 O ALA A 80 14.586 4.637 0.434 1.00 0.00 O ATOM 1206 CB ALA A 80 12.065 4.581 1.817 1.00 0.00 C ATOM 0 H ALA A 80 13.420 4.904 3.919 1.00 0.00 H new ATOM 0 HA ALA A 80 12.895 2.685 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.540 4.164 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.384 4.637 2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.424 5.581 1.573 1.00 0.00 H new ATOM 1212 N PRO A 81 14.589 2.419 0.614 1.00 0.00 N ATOM 1213 CA PRO A 81 15.516 2.193 -0.508 1.00 0.00 C ATOM 1214 C PRO A 81 14.802 2.404 -1.844 1.00 0.00 C ATOM 1215 O PRO A 81 13.822 1.752 -2.147 1.00 0.00 O ATOM 1216 CB PRO A 81 15.948 0.735 -0.333 1.00 0.00 C ATOM 1217 CG PRO A 81 14.848 0.055 0.515 1.00 0.00 C ATOM 1218 CD PRO A 81 14.125 1.181 1.274 1.00 0.00 C ATOM 0 HA PRO A 81 16.362 2.880 -0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.054 0.242 -1.299 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.916 0.673 0.164 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.152 -0.494 -0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.282 -0.665 1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.042 1.075 1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.380 1.175 2.334 1.00 0.00 H new ATOM 1226 N ALA A 82 15.288 3.314 -2.642 1.00 0.00 N ATOM 1227 CA ALA A 82 14.642 3.573 -3.957 1.00 0.00 C ATOM 1228 C ALA A 82 14.297 2.241 -4.624 1.00 0.00 C ATOM 1229 O ALA A 82 15.079 1.311 -4.616 1.00 0.00 O ATOM 1230 CB ALA A 82 15.605 4.358 -4.850 1.00 0.00 C ATOM 0 H ALA A 82 16.105 3.889 -2.439 1.00 0.00 H new ATOM 0 HA ALA A 82 13.730 4.152 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.134 4.549 -5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.852 5.306 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.516 3.779 -5.000 1.00 0.00 H new ATOM 1236 N GLY A 83 13.132 2.139 -5.199 1.00 0.00 N ATOM 1237 CA GLY A 83 12.740 0.865 -5.862 1.00 0.00 C ATOM 1238 C GLY A 83 11.232 0.860 -6.114 1.00 0.00 C ATOM 1239 O GLY A 83 10.570 1.873 -6.001 1.00 0.00 O ATOM 0 H GLY A 83 12.435 2.882 -5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.277 0.754 -6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.017 0.017 -5.235 1.00 0.00 H new ATOM 1243 N GLU A 84 10.686 -0.274 -6.454 1.00 0.00 N ATOM 1244 CA GLU A 84 9.222 -0.350 -6.713 1.00 0.00 C ATOM 1245 C GLU A 84 8.586 -1.357 -5.754 1.00 0.00 C ATOM 1246 O GLU A 84 8.871 -2.538 -5.799 1.00 0.00 O ATOM 1247 CB GLU A 84 8.985 -0.797 -8.156 1.00 0.00 C ATOM 1248 CG GLU A 84 9.321 0.354 -9.106 1.00 0.00 C ATOM 1249 CD GLU A 84 8.177 0.547 -10.102 1.00 0.00 C ATOM 1250 OE1 GLU A 84 7.226 1.228 -9.757 1.00 0.00 O ATOM 1251 OE2 GLU A 84 8.272 0.011 -11.194 1.00 0.00 O ATOM 0 H GLU A 84 11.192 -1.153 -6.564 1.00 0.00 H new ATOM 0 HA GLU A 84 8.772 0.631 -6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.603 -1.665 -8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.947 -1.101 -8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.482 1.271 -8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.248 0.141 -9.638 1.00 0.00 H new ATOM 1258 N TYR A 85 7.726 -0.899 -4.888 1.00 0.00 N ATOM 1259 CA TYR A 85 7.068 -1.827 -3.927 1.00 0.00 C ATOM 1260 C TYR A 85 5.732 -2.283 -4.509 1.00 0.00 C ATOM 1261 O TYR A 85 5.230 -1.708 -5.454 1.00 0.00 O ATOM 1262 CB TYR A 85 6.828 -1.102 -2.602 1.00 0.00 C ATOM 1263 CG TYR A 85 8.151 -0.649 -2.031 1.00 0.00 C ATOM 1264 CD1 TYR A 85 8.846 0.412 -2.626 1.00 0.00 C ATOM 1265 CD2 TYR A 85 8.683 -1.292 -0.908 1.00 0.00 C ATOM 1266 CE1 TYR A 85 10.073 0.828 -2.097 1.00 0.00 C ATOM 1267 CE2 TYR A 85 9.910 -0.876 -0.380 1.00 0.00 C ATOM 1268 CZ TYR A 85 10.605 0.184 -0.974 1.00 0.00 C ATOM 1269 OH TYR A 85 11.815 0.594 -0.453 1.00 0.00 O ATOM 0 H TYR A 85 7.450 0.079 -4.804 1.00 0.00 H new ATOM 0 HA TYR A 85 7.707 -2.692 -3.754 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.174 -0.244 -2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.323 -1.764 -1.899 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.435 0.909 -3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.147 -2.109 -0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.609 1.646 -2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 85 10.321 -1.373 0.486 1.00 0.00 H new ATOM 0 HH TYR A 85 12.366 0.975 -1.168 1.00 0.00 H new ATOM 1279 N THR A 86 5.149 -3.312 -3.961 1.00 0.00 N ATOM 1280 CA THR A 86 3.849 -3.789 -4.502 1.00 0.00 C ATOM 1281 C THR A 86 2.960 -4.297 -3.368 1.00 0.00 C ATOM 1282 O THR A 86 3.075 -5.426 -2.932 1.00 0.00 O ATOM 1283 CB THR A 86 4.093 -4.920 -5.503 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.404 -4.801 -6.038 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.068 -4.829 -6.633 1.00 0.00 C ATOM 0 H THR A 86 5.514 -3.839 -3.168 1.00 0.00 H new ATOM 0 HA THR A 86 3.349 -2.959 -5.001 1.00 0.00 H new ATOM 0 HB THR A 86 3.992 -5.882 -5.000 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.460 -5.299 -6.880 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.241 -5.634 -7.347 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.063 -4.919 -6.221 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.168 -3.868 -7.138 1.00 0.00 H new ATOM 1293 N PHE A 87 2.060 -3.478 -2.901 1.00 0.00 N ATOM 1294 CA PHE A 87 1.149 -3.918 -1.814 1.00 0.00 C ATOM 1295 C PHE A 87 -0.211 -4.262 -2.419 1.00 0.00 C ATOM 1296 O PHE A 87 -0.551 -3.813 -3.495 1.00 0.00 O ATOM 1297 CB PHE A 87 0.987 -2.815 -0.766 1.00 0.00 C ATOM 1298 CG PHE A 87 1.163 -1.474 -1.420 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.448 -0.962 -1.616 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.046 -0.749 -1.840 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.619 0.278 -2.232 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.213 0.492 -2.458 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.501 1.008 -2.655 1.00 0.00 C ATOM 0 H PHE A 87 1.917 -2.522 -3.227 1.00 0.00 H new ATOM 0 HA PHE A 87 1.572 -4.795 -1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.002 -2.880 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.722 -2.943 0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.309 -1.526 -1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.946 -1.148 -1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.612 0.675 -2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.650 1.054 -2.784 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.631 1.968 -3.133 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.988 -5.063 -1.747 1.00 0.00 N ATOM 1314 CA TYR A 88 -2.317 -5.439 -2.299 1.00 0.00 C ATOM 1315 C TYR A 88 -3.217 -5.951 -1.171 1.00 0.00 C ATOM 1316 O TYR A 88 -3.113 -5.522 -0.039 1.00 0.00 O ATOM 1317 CB TYR A 88 -2.125 -6.540 -3.343 1.00 0.00 C ATOM 1318 CG TYR A 88 -1.549 -7.759 -2.667 1.00 0.00 C ATOM 1319 CD1 TYR A 88 -0.263 -7.705 -2.118 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -2.298 -8.937 -2.581 1.00 0.00 C ATOM 1321 CE1 TYR A 88 0.275 -8.829 -1.483 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -1.761 -10.063 -1.945 1.00 0.00 C ATOM 1323 CZ TYR A 88 -0.473 -10.010 -1.396 1.00 0.00 C ATOM 1324 OH TYR A 88 0.058 -11.120 -0.770 1.00 0.00 O ATOM 0 H TYR A 88 -0.761 -5.473 -0.841 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.785 -4.569 -2.760 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.078 -6.784 -3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.458 -6.197 -4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.314 -6.795 -2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.290 -8.978 -3.005 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.268 -8.786 -1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.340 -10.972 -1.878 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.592 -11.853 -0.797 1.00 0.00 H new ATOM 1334 N CYS A 89 -4.102 -6.865 -1.469 1.00 0.00 N ATOM 1335 CA CYS A 89 -5.006 -7.402 -0.414 1.00 0.00 C ATOM 1336 C CYS A 89 -5.037 -8.927 -0.492 1.00 0.00 C ATOM 1337 O CYS A 89 -4.697 -9.516 -1.498 1.00 0.00 O ATOM 1338 CB CYS A 89 -6.426 -6.880 -0.633 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.439 -5.073 -0.594 1.00 0.00 S ATOM 0 H CYS A 89 -4.237 -7.262 -2.399 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.637 -7.082 0.560 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.807 -7.233 -1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -7.089 -7.273 0.138 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.241 -4.625 -1.514 1.00 0.00 H new ATOM 1344 N GLU A 90 -5.462 -9.571 0.559 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.538 -11.055 0.538 1.00 0.00 C ATOM 1346 C GLU A 90 -6.788 -11.488 -0.252 1.00 0.00 C ATOM 1347 O GLU A 90 -6.699 -12.351 -1.102 1.00 0.00 O ATOM 1348 CB GLU A 90 -5.585 -11.589 1.979 1.00 0.00 C ATOM 1349 CG GLU A 90 -6.239 -12.974 2.012 1.00 0.00 C ATOM 1350 CD GLU A 90 -6.200 -13.523 3.439 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -5.489 -12.955 4.251 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -6.882 -14.502 3.696 1.00 0.00 O ATOM 0 H GLU A 90 -5.760 -9.132 1.431 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.656 -11.468 0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.575 -11.646 2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.145 -10.900 2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.270 -12.909 1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.716 -13.651 1.336 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.917 -10.876 0.040 1.00 0.00 N ATOM 1360 CA PRO A 91 -9.182 -11.190 -0.649 1.00 0.00 C ATOM 1361 C PRO A 91 -9.232 -10.502 -2.019 1.00 0.00 C ATOM 1362 O PRO A 91 -9.218 -11.151 -3.046 1.00 0.00 O ATOM 1363 CB PRO A 91 -10.254 -10.624 0.283 1.00 0.00 C ATOM 1364 CG PRO A 91 -9.559 -9.538 1.137 1.00 0.00 C ATOM 1365 CD PRO A 91 -8.047 -9.828 1.077 1.00 0.00 C ATOM 0 HA PRO A 91 -9.310 -12.256 -0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -11.080 -10.200 -0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.672 -11.407 0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.778 -8.543 0.750 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.918 -9.566 2.166 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.481 -8.935 0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.669 -10.172 2.040 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.289 -9.194 -2.047 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.338 -8.482 -3.358 1.00 0.00 C ATOM 1375 C HIS A 92 -8.144 -8.919 -4.212 1.00 0.00 C ATOM 1376 O HIS A 92 -7.100 -8.299 -4.198 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.270 -6.964 -3.140 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.189 -6.553 -2.018 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -11.544 -6.699 -1.837 1.00 0.00 N flip ATOM 1380 CD2 HIS A 92 -9.721 -5.883 -0.890 1.00 0.00 C flip ATOM 1381 CE1 HIS A 92 -11.907 -6.141 -0.626 1.00 0.00 C flip ATOM 1382 NE2 HIS A 92 -10.787 -5.664 -0.094 1.00 0.00 N flip ATOM 0 H HIS A 92 -9.304 -8.592 -1.223 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.272 -8.729 -3.863 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.247 -6.669 -2.907 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.550 -6.446 -4.057 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -12.182 -7.149 -2.494 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.700 -5.594 -0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.898 -6.101 -0.199 1.00 0.00 H new ATOM 1390 N ARG A 93 -8.287 -9.986 -4.953 1.00 0.00 N ATOM 1391 CA ARG A 93 -7.156 -10.461 -5.802 1.00 0.00 C ATOM 1392 C ARG A 93 -7.657 -10.725 -7.223 1.00 0.00 C ATOM 1393 O ARG A 93 -7.176 -11.606 -7.908 1.00 0.00 O ATOM 1394 CB ARG A 93 -6.589 -11.756 -5.215 1.00 0.00 C ATOM 1395 CG ARG A 93 -5.187 -11.496 -4.661 1.00 0.00 C ATOM 1396 CD ARG A 93 -4.453 -12.827 -4.489 1.00 0.00 C ATOM 1397 NE ARG A 93 -5.427 -13.889 -4.109 1.00 0.00 N ATOM 1398 CZ ARG A 93 -5.476 -15.002 -4.787 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -5.505 -14.972 -6.091 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -5.496 -16.147 -4.160 1.00 0.00 N ATOM 0 H ARG A 93 -9.137 -10.548 -5.007 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.377 -9.699 -5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.241 -12.125 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.550 -12.529 -5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.631 -10.847 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.252 -10.978 -3.704 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.948 -13.098 -5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.684 -12.733 -3.722 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.055 -13.745 -3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.489 -14.078 -6.581 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.543 -15.843 -6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.473 -16.171 -3.141 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.534 -17.018 -4.690 1.00 0.00 H new ATOM 1414 N GLY A 94 -8.620 -9.968 -7.672 1.00 0.00 N ATOM 1415 CA GLY A 94 -9.149 -10.176 -9.049 1.00 0.00 C ATOM 1416 C GLY A 94 -9.652 -8.845 -9.609 1.00 0.00 C ATOM 1417 O GLY A 94 -10.388 -8.805 -10.575 1.00 0.00 O ATOM 0 H GLY A 94 -9.063 -9.215 -7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.368 -10.582 -9.692 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.959 -10.905 -9.032 1.00 0.00 H new ATOM 1421 N ALA A 95 -9.258 -7.754 -9.012 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.712 -6.426 -9.513 1.00 0.00 C ATOM 1423 C ALA A 95 -8.543 -5.441 -9.478 1.00 0.00 C ATOM 1424 O ALA A 95 -8.708 -4.274 -9.181 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.849 -5.906 -8.631 1.00 0.00 C ATOM 0 H ALA A 95 -8.642 -7.725 -8.200 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.069 -6.528 -10.538 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.180 -4.935 -8.999 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.682 -6.608 -8.660 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.496 -5.804 -7.605 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.362 -5.902 -9.782 1.00 0.00 N ATOM 1432 CA GLY A 96 -6.178 -4.997 -9.773 1.00 0.00 C ATOM 1433 C GLY A 96 -6.105 -4.250 -8.439 1.00 0.00 C ATOM 1434 O GLY A 96 -6.031 -3.038 -8.401 1.00 0.00 O ATOM 0 H GLY A 96 -7.165 -6.870 -10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.266 -5.575 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.247 -4.285 -10.595 1.00 0.00 H new ATOM 1438 N MET A 97 -6.122 -4.961 -7.345 1.00 0.00 N ATOM 1439 CA MET A 97 -6.049 -4.286 -6.019 1.00 0.00 C ATOM 1440 C MET A 97 -4.629 -4.409 -5.463 1.00 0.00 C ATOM 1441 O MET A 97 -4.417 -4.914 -4.379 1.00 0.00 O ATOM 1442 CB MET A 97 -7.038 -4.946 -5.056 1.00 0.00 C ATOM 1443 CG MET A 97 -8.437 -4.374 -5.291 1.00 0.00 C ATOM 1444 SD MET A 97 -9.036 -3.585 -3.774 1.00 0.00 S ATOM 1445 CE MET A 97 -8.893 -1.868 -4.323 1.00 0.00 C ATOM 0 H MET A 97 -6.183 -5.979 -7.312 1.00 0.00 H new ATOM 0 HA MET A 97 -6.303 -3.232 -6.131 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.045 -6.025 -5.208 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.730 -4.771 -4.025 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.412 -3.649 -6.104 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.119 -5.168 -5.593 1.00 0.00 H new ATOM 0 HE1 MET A 97 -8.168 -1.346 -3.699 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.562 -1.844 -5.361 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.863 -1.378 -4.241 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.653 -3.948 -6.198 1.00 0.00 N ATOM 1456 CA VAL A 98 -2.247 -4.035 -5.714 1.00 0.00 C ATOM 1457 C VAL A 98 -1.536 -2.703 -5.975 1.00 0.00 C ATOM 1458 O VAL A 98 -1.022 -2.464 -7.050 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.522 -5.159 -6.456 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -1.758 -5.014 -7.959 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -0.022 -5.076 -6.166 1.00 0.00 C ATOM 0 H VAL A 98 -3.770 -3.514 -7.114 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.241 -4.245 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.906 -6.122 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.241 -5.815 -8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.826 -5.072 -8.167 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.375 -4.051 -8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.496 -5.877 -6.694 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.361 -4.112 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.148 -5.180 -5.094 1.00 0.00 H new ATOM 1471 N GLY A 99 -1.510 -1.833 -5.002 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.842 -0.514 -5.193 1.00 0.00 C ATOM 1473 C GLY A 99 0.675 -0.700 -5.257 1.00 0.00 C ATOM 1474 O GLY A 99 1.182 -1.799 -5.147 1.00 0.00 O ATOM 0 H GLY A 99 -1.924 -1.979 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.198 -0.046 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.100 0.156 -4.373 1.00 0.00 H new ATOM 1478 N LYS A 100 1.405 0.369 -5.438 1.00 0.00 N ATOM 1479 CA LYS A 100 2.890 0.259 -5.514 1.00 0.00 C ATOM 1480 C LYS A 100 3.528 1.589 -5.103 1.00 0.00 C ATOM 1481 O LYS A 100 3.156 2.639 -5.587 1.00 0.00 O ATOM 1482 CB LYS A 100 3.302 -0.066 -6.951 1.00 0.00 C ATOM 1483 CG LYS A 100 2.878 -1.493 -7.300 1.00 0.00 C ATOM 1484 CD LYS A 100 3.192 -1.771 -8.770 1.00 0.00 C ATOM 1485 CE LYS A 100 2.159 -1.071 -9.654 1.00 0.00 C ATOM 1486 NZ LYS A 100 0.998 -1.979 -9.875 1.00 0.00 N ATOM 0 H LYS A 100 1.036 1.315 -5.537 1.00 0.00 H new ATOM 0 HA LYS A 100 3.226 -0.531 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.839 0.640 -7.640 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.381 0.040 -7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.402 -2.206 -6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.812 -1.623 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.194 -1.416 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.180 -2.844 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.827 -0.147 -9.181 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.607 -0.797 -10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.295 -1.504 -10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.322 -2.849 -10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.566 -2.219 -8.960 1.00 0.00 H new ATOM 1500 N ILE A 101 4.496 1.554 -4.226 1.00 0.00 N ATOM 1501 CA ILE A 101 5.160 2.821 -3.808 1.00 0.00 C ATOM 1502 C ILE A 101 6.445 2.994 -4.629 1.00 0.00 C ATOM 1503 O ILE A 101 7.199 2.061 -4.823 1.00 0.00 O ATOM 1504 CB ILE A 101 5.470 2.770 -2.292 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.478 3.681 -1.553 1.00 0.00 C ATOM 1506 CG2 ILE A 101 6.906 3.240 -2.005 1.00 0.00 C ATOM 1507 CD1 ILE A 101 4.977 3.971 -0.131 1.00 0.00 C ATOM 0 H ILE A 101 4.853 0.707 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 101 4.505 3.673 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 101 5.373 1.740 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.355 4.616 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.498 3.205 -1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.096 3.194 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.612 2.594 -2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.029 4.266 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.264 4.618 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.076 3.035 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.946 4.467 -0.180 1.00 0.00 H new ATOM 1519 N THR A 102 6.701 4.181 -5.105 1.00 0.00 N ATOM 1520 CA THR A 102 7.937 4.412 -5.903 1.00 0.00 C ATOM 1521 C THR A 102 8.765 5.512 -5.238 1.00 0.00 C ATOM 1522 O THR A 102 8.482 6.686 -5.376 1.00 0.00 O ATOM 1523 CB THR A 102 7.563 4.837 -7.325 1.00 0.00 C ATOM 1524 OG1 THR A 102 6.151 4.795 -7.475 1.00 0.00 O ATOM 1525 CG2 THR A 102 8.214 3.883 -8.328 1.00 0.00 C ATOM 0 H THR A 102 6.108 5.001 -4.976 1.00 0.00 H new ATOM 0 HA THR A 102 8.519 3.492 -5.949 1.00 0.00 H new ATOM 0 HB THR A 102 7.916 5.852 -7.508 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.910 5.069 -8.385 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.949 4.184 -9.341 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.297 3.916 -8.211 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.861 2.868 -8.147 1.00 0.00 H new ATOM 1533 N VAL A 103 9.782 5.142 -4.512 1.00 0.00 N ATOM 1534 CA VAL A 103 10.623 6.165 -3.832 1.00 0.00 C ATOM 1535 C VAL A 103 11.896 6.405 -4.646 1.00 0.00 C ATOM 1536 O VAL A 103 12.631 5.488 -4.953 1.00 0.00 O ATOM 1537 CB VAL A 103 10.997 5.669 -2.433 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.247 6.867 -1.516 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.852 4.824 -1.867 1.00 0.00 C ATOM 0 H VAL A 103 10.067 4.175 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 103 10.065 7.098 -3.750 1.00 0.00 H new ATOM 0 HB VAL A 103 11.901 5.063 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.513 6.513 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.062 7.469 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.344 7.474 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.118 4.471 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.948 5.430 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.674 3.969 -2.519 1.00 0.00 H new ATOM 1549 N ALA A 104 12.165 7.633 -4.996 1.00 0.00 N ATOM 1550 CA ALA A 104 13.393 7.931 -5.785 1.00 0.00 C ATOM 1551 C ALA A 104 14.431 8.586 -4.873 1.00 0.00 C ATOM 1552 O ALA A 104 15.396 7.968 -4.470 1.00 0.00 O ATOM 1553 CB ALA A 104 13.049 8.880 -6.935 1.00 0.00 C ATOM 0 H ALA A 104 11.587 8.443 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 104 13.797 7.005 -6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.949 9.096 -7.510 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.308 8.413 -7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.644 9.808 -6.532 1.00 0.00 H new