USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 922 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 15 CYS SG : rot 160:sc= 0 USER MOD Set 1.2: A 34 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.21) USER MOD Set 2.1: A 29 ASN : amide:sc= 0.0808 X(o=0.16,f=-0.075) USER MOD Set 2.2: A 31 SER OG : rot -117:sc= 0.083 USER MOD Set 2.3: A 33 GLN : amide:sc= 0 X(o=0.16,f=0.16) USER MOD Set 3.1: A 18 GLN : amide:sc= -0.428 K(o=-0.43,f=-1.6!) USER MOD Set 3.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.571 USER MOD Single : A 3 SER OG : rot 180:sc= -0.217 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 9 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.6!) USER MOD Single : A 10 MET CE :methyl -116:sc= -5.05! (180deg=-10.5!) USER MOD Single : A 13 MET CE :methyl -168:sc= -1.04 (180deg=-1.27) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0.0469 (180deg=0.0469) USER MOD Single : A 20 MET CE :methyl 176:sc= -3.72! (180deg=-3.93!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 133:sc= -5.08! USER MOD Single : A 43 SER OG : rot -19:sc= 1.08 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0236 X(o=-0.024,f=-0.26) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 114:sc= 0.679 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -8.84! C(o=-8.8!,f=-8.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.463 K(o=-0.46,f=-7!) USER MOD Single : A 95 TYR OH : rot 30:sc= -1.3 USER MOD Single : A 98 GLN : amide:sc= -4.09! C(o=-4.1!,f=-7!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 175:sc= -1.8! (180deg=-1.85) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.602 K(o=0.6,f=-0.9) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.559 -22.476 -14.930 1.00 0.00 N ATOM 2 CA GLY A 1 0.135 -22.281 -14.717 1.00 0.00 C ATOM 3 C GLY A 1 -0.216 -22.391 -13.232 1.00 0.00 C ATOM 4 O GLY A 1 -0.070 -23.455 -12.632 1.00 0.00 O ATOM 0 H1 GLY A 1 1.772 -22.397 -15.945 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.091 -21.751 -14.407 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.835 -23.420 -14.591 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.162 -21.302 -15.093 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.426 -23.024 -15.283 1.00 0.00 H new ATOM 8 N SER A 2 -0.674 -21.276 -12.681 1.00 0.00 N ATOM 9 CA SER A 2 -1.047 -21.233 -11.277 1.00 0.00 C ATOM 10 C SER A 2 -1.555 -19.837 -10.913 1.00 0.00 C ATOM 11 O SER A 2 -0.775 -18.975 -10.510 1.00 0.00 O ATOM 12 CB SER A 2 0.131 -21.620 -10.381 1.00 0.00 C ATOM 13 OG SER A 2 1.271 -20.798 -10.614 1.00 0.00 O ATOM 0 H SER A 2 -0.795 -20.396 -13.182 1.00 0.00 H new ATOM 0 HA SER A 2 -1.845 -21.957 -11.113 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.167 -21.539 -9.336 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.394 -22.663 -10.558 1.00 0.00 H new ATOM 0 HG SER A 2 0.995 -19.858 -10.651 1.00 0.00 H new ATOM 19 N SER A 3 -2.858 -19.656 -11.068 1.00 0.00 N ATOM 20 CA SER A 3 -3.479 -18.379 -10.760 1.00 0.00 C ATOM 21 C SER A 3 -3.756 -18.280 -9.259 1.00 0.00 C ATOM 22 O SER A 3 -3.275 -17.362 -8.595 1.00 0.00 O ATOM 23 CB SER A 3 -4.774 -18.191 -11.552 1.00 0.00 C ATOM 24 OG SER A 3 -5.376 -16.924 -11.299 1.00 0.00 O ATOM 0 H SER A 3 -3.501 -20.373 -11.403 1.00 0.00 H new ATOM 0 HA SER A 3 -2.790 -17.585 -11.049 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.564 -18.286 -12.617 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.476 -18.984 -11.293 1.00 0.00 H new ATOM 0 HG SER A 3 -6.199 -16.842 -11.825 1.00 0.00 H new ATOM 30 N GLY A 4 -4.529 -19.237 -8.768 1.00 0.00 N ATOM 31 CA GLY A 4 -4.875 -19.268 -7.357 1.00 0.00 C ATOM 32 C GLY A 4 -6.346 -19.641 -7.162 1.00 0.00 C ATOM 33 O GLY A 4 -6.890 -20.449 -7.912 1.00 0.00 O ATOM 0 H GLY A 4 -4.925 -19.996 -9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.242 -19.988 -6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.681 -18.293 -6.910 1.00 0.00 H new ATOM 37 N SER A 5 -6.948 -19.032 -6.150 1.00 0.00 N ATOM 38 CA SER A 5 -8.346 -19.290 -5.847 1.00 0.00 C ATOM 39 C SER A 5 -8.844 -18.298 -4.793 1.00 0.00 C ATOM 40 O SER A 5 -9.929 -17.735 -4.930 1.00 0.00 O ATOM 41 CB SER A 5 -8.548 -20.726 -5.361 1.00 0.00 C ATOM 42 OG SER A 5 -7.446 -21.188 -4.585 1.00 0.00 O ATOM 0 H SER A 5 -6.494 -18.361 -5.530 1.00 0.00 H new ATOM 0 HA SER A 5 -8.924 -19.160 -6.762 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.459 -20.782 -4.766 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.687 -21.383 -6.220 1.00 0.00 H new ATOM 0 HG SER A 5 -7.615 -22.108 -4.292 1.00 0.00 H new ATOM 48 N SER A 6 -8.027 -18.114 -3.767 1.00 0.00 N ATOM 49 CA SER A 6 -8.371 -17.200 -2.691 1.00 0.00 C ATOM 50 C SER A 6 -7.294 -17.242 -1.604 1.00 0.00 C ATOM 51 O SER A 6 -6.495 -18.175 -1.553 1.00 0.00 O ATOM 52 CB SER A 6 -9.739 -17.540 -2.096 1.00 0.00 C ATOM 53 OG SER A 6 -9.838 -18.915 -1.735 1.00 0.00 O ATOM 0 H SER A 6 -7.127 -18.582 -3.658 1.00 0.00 H new ATOM 0 HA SER A 6 -8.424 -16.192 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.916 -16.921 -1.217 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.519 -17.298 -2.818 1.00 0.00 H new ATOM 0 HG SER A 6 -10.725 -19.091 -1.358 1.00 0.00 H new ATOM 59 N GLY A 7 -7.308 -16.218 -0.763 1.00 0.00 N ATOM 60 CA GLY A 7 -6.343 -16.126 0.319 1.00 0.00 C ATOM 61 C GLY A 7 -6.593 -14.881 1.172 1.00 0.00 C ATOM 62 O GLY A 7 -7.739 -14.553 1.478 1.00 0.00 O ATOM 0 H GLY A 7 -7.972 -15.445 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.405 -17.017 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.334 -16.094 -0.091 1.00 0.00 H new ATOM 66 N GLU A 8 -5.502 -14.220 1.532 1.00 0.00 N ATOM 67 CA GLU A 8 -5.589 -13.018 2.344 1.00 0.00 C ATOM 68 C GLU A 8 -5.668 -11.779 1.451 1.00 0.00 C ATOM 69 O GLU A 8 -4.646 -11.281 0.982 1.00 0.00 O ATOM 70 CB GLU A 8 -4.407 -12.923 3.311 1.00 0.00 C ATOM 71 CG GLU A 8 -4.673 -13.728 4.584 1.00 0.00 C ATOM 72 CD GLU A 8 -3.859 -15.023 4.595 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.578 -15.526 3.485 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.536 -15.482 5.712 1.00 0.00 O ATOM 0 H GLU A 8 -4.553 -14.494 1.276 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.500 -13.071 2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.504 -13.293 2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.226 -11.879 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.419 -13.128 5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.735 -13.962 4.655 1.00 0.00 H new ATOM 81 N GLN A 9 -6.892 -11.316 1.242 1.00 0.00 N ATOM 82 CA GLN A 9 -7.118 -10.144 0.413 1.00 0.00 C ATOM 83 C GLN A 9 -7.268 -8.897 1.287 1.00 0.00 C ATOM 84 O GLN A 9 -7.721 -8.985 2.427 1.00 0.00 O ATOM 85 CB GLN A 9 -8.342 -10.335 -0.484 1.00 0.00 C ATOM 86 CG GLN A 9 -8.197 -11.589 -1.350 1.00 0.00 C ATOM 87 CD GLN A 9 -9.419 -12.499 -1.206 1.00 0.00 C ATOM 88 OE1 GLN A 9 -10.215 -12.373 -0.289 1.00 0.00 O ATOM 89 NE2 GLN A 9 -9.523 -13.419 -2.161 1.00 0.00 N ATOM 0 H GLN A 9 -7.738 -11.731 1.633 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.252 -10.008 -0.234 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.239 -10.415 0.130 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.470 -9.461 -1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.074 -11.302 -2.394 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.298 -12.133 -1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.821 -13.469 -2.899 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.305 -14.074 -2.155 1.00 0.00 H new ATOM 98 N MET A 10 -6.879 -7.765 0.719 1.00 0.00 N ATOM 99 CA MET A 10 -6.964 -6.502 1.431 1.00 0.00 C ATOM 100 C MET A 10 -7.024 -5.325 0.456 1.00 0.00 C ATOM 101 O MET A 10 -6.269 -5.279 -0.514 1.00 0.00 O ATOM 102 CB MET A 10 -5.746 -6.348 2.344 1.00 0.00 C ATOM 103 CG MET A 10 -5.714 -4.959 2.985 1.00 0.00 C ATOM 104 SD MET A 10 -5.390 -5.101 4.735 1.00 0.00 S ATOM 105 CE MET A 10 -5.605 -3.400 5.230 1.00 0.00 C ATOM 0 H MET A 10 -6.504 -7.697 -0.227 1.00 0.00 H new ATOM 0 HA MET A 10 -7.877 -6.503 2.026 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.771 -7.111 3.122 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.834 -6.509 1.770 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.944 -4.349 2.513 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.666 -4.453 2.823 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.659 -3.008 5.604 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.929 -2.810 4.373 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.358 -3.342 6.016 1.00 0.00 H new ATOM 115 N GLU A 11 -7.929 -4.402 0.747 1.00 0.00 N ATOM 116 CA GLU A 11 -8.097 -3.228 -0.093 1.00 0.00 C ATOM 117 C GLU A 11 -8.580 -2.042 0.745 1.00 0.00 C ATOM 118 O GLU A 11 -9.522 -2.172 1.526 1.00 0.00 O ATOM 119 CB GLU A 11 -9.060 -3.513 -1.247 1.00 0.00 C ATOM 120 CG GLU A 11 -10.307 -4.249 -0.752 1.00 0.00 C ATOM 121 CD GLU A 11 -11.134 -4.778 -1.926 1.00 0.00 C ATOM 122 OE1 GLU A 11 -10.576 -5.596 -2.689 1.00 0.00 O ATOM 123 OE2 GLU A 11 -12.304 -4.352 -2.034 1.00 0.00 O ATOM 0 H GLU A 11 -8.553 -4.443 1.552 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.130 -2.972 -0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.351 -2.576 -1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.557 -4.112 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.013 -5.077 -0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.915 -3.576 -0.148 1.00 0.00 H new ATOM 130 N GLY A 12 -7.914 -0.913 0.552 1.00 0.00 N ATOM 131 CA GLY A 12 -8.264 0.295 1.280 1.00 0.00 C ATOM 132 C GLY A 12 -7.485 1.500 0.749 1.00 0.00 C ATOM 133 O GLY A 12 -6.518 1.340 0.006 1.00 0.00 O ATOM 0 H GLY A 12 -7.134 -0.809 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.334 0.481 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.052 0.159 2.341 1.00 0.00 H new ATOM 137 N MET A 13 -7.936 2.680 1.150 1.00 0.00 N ATOM 138 CA MET A 13 -7.293 3.911 0.723 1.00 0.00 C ATOM 139 C MET A 13 -5.924 4.073 1.387 1.00 0.00 C ATOM 140 O MET A 13 -5.835 4.237 2.603 1.00 0.00 O ATOM 141 CB MET A 13 -8.181 5.103 1.087 1.00 0.00 C ATOM 142 CG MET A 13 -7.718 6.371 0.367 1.00 0.00 C ATOM 143 SD MET A 13 -8.803 6.723 -1.006 1.00 0.00 S ATOM 144 CE MET A 13 -7.746 6.250 -2.365 1.00 0.00 C ATOM 0 H MET A 13 -8.739 2.809 1.766 1.00 0.00 H new ATOM 0 HA MET A 13 -7.150 3.869 -0.357 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.215 4.886 0.820 1.00 0.00 H new ATOM 0 HB3 MET A 13 -8.157 5.263 2.165 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.711 7.212 1.061 1.00 0.00 H new ATOM 0 HG3 MET A 13 -6.696 6.244 0.010 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.179 6.601 -3.302 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.760 6.695 -2.231 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.653 5.164 -2.393 1.00 0.00 H new ATOM 154 N LEU A 14 -4.891 4.021 0.559 1.00 0.00 N ATOM 155 CA LEU A 14 -3.530 4.160 1.050 1.00 0.00 C ATOM 156 C LEU A 14 -2.789 5.193 0.199 1.00 0.00 C ATOM 157 O LEU A 14 -3.147 5.425 -0.954 1.00 0.00 O ATOM 158 CB LEU A 14 -2.838 2.796 1.103 1.00 0.00 C ATOM 159 CG LEU A 14 -2.594 2.222 2.500 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.894 2.169 3.306 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.913 0.855 2.420 1.00 0.00 C ATOM 0 H LEU A 14 -4.969 3.885 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.530 4.532 2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.440 2.083 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.878 2.877 0.593 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.914 2.890 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.692 1.757 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.300 3.175 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.617 1.537 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.751 0.470 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.548 0.164 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.954 0.955 1.911 1.00 0.00 H new ATOM 173 N CYS A 15 -1.768 5.786 0.802 1.00 0.00 N ATOM 174 CA CYS A 15 -0.973 6.789 0.114 1.00 0.00 C ATOM 175 C CYS A 15 0.254 6.100 -0.486 1.00 0.00 C ATOM 176 O CYS A 15 1.256 5.901 0.200 1.00 0.00 O ATOM 177 CB CYS A 15 -0.584 7.939 1.045 1.00 0.00 C ATOM 178 SG CYS A 15 -1.357 9.496 0.474 1.00 0.00 S ATOM 0 H CYS A 15 -1.474 5.591 1.759 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.563 7.239 -0.685 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.903 7.717 2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.500 8.049 1.068 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.389 10.349 1.454 1.00 0.00 H new ATOM 184 N ARG A 16 0.136 5.755 -1.760 1.00 0.00 N ATOM 185 CA ARG A 16 1.224 5.093 -2.460 1.00 0.00 C ATOM 186 C ARG A 16 2.156 6.128 -3.092 1.00 0.00 C ATOM 187 O ARG A 16 1.734 6.915 -3.938 1.00 0.00 O ATOM 188 CB ARG A 16 0.691 4.163 -3.551 1.00 0.00 C ATOM 189 CG ARG A 16 1.835 3.427 -4.251 1.00 0.00 C ATOM 190 CD ARG A 16 1.638 3.424 -5.768 1.00 0.00 C ATOM 191 NE ARG A 16 1.972 4.754 -6.325 1.00 0.00 N ATOM 192 CZ ARG A 16 2.080 5.015 -7.635 1.00 0.00 C ATOM 193 NH1 ARG A 16 1.880 4.039 -8.531 1.00 0.00 N ATOM 194 NH2 ARG A 16 2.387 6.252 -8.048 1.00 0.00 N ATOM 0 H ARG A 16 -0.696 5.921 -2.326 1.00 0.00 H new ATOM 0 HA ARG A 16 1.776 4.500 -1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.003 3.440 -3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.125 4.741 -4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.784 3.904 -4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.890 2.401 -3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.269 2.661 -6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.606 3.169 -6.008 1.00 0.00 H new ATOM 0 HE ARG A 16 2.130 5.520 -5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.646 3.098 -8.216 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.962 4.237 -9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.538 6.995 -7.365 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.469 6.451 -9.045 1.00 0.00 H new ATOM 208 N LYS A 17 3.408 6.094 -2.657 1.00 0.00 N ATOM 209 CA LYS A 17 4.403 7.020 -3.170 1.00 0.00 C ATOM 210 C LYS A 17 5.588 6.229 -3.730 1.00 0.00 C ATOM 211 O LYS A 17 6.429 5.746 -2.974 1.00 0.00 O ATOM 212 CB LYS A 17 4.795 8.035 -2.095 1.00 0.00 C ATOM 213 CG LYS A 17 5.813 9.041 -2.636 1.00 0.00 C ATOM 214 CD LYS A 17 6.997 9.192 -1.679 1.00 0.00 C ATOM 215 CE LYS A 17 8.195 9.830 -2.384 1.00 0.00 C ATOM 216 NZ LYS A 17 9.091 10.479 -1.400 1.00 0.00 N ATOM 0 H LYS A 17 3.755 5.440 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 17 3.991 7.605 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.907 8.562 -1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.215 7.515 -1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.170 8.713 -3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.332 10.008 -2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.704 9.805 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.279 8.215 -1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.745 9.070 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.848 10.566 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.899 10.907 -1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.568 11.218 -0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.437 9.768 -0.724 1.00 0.00 H new ATOM 230 N GLN A 18 5.615 6.122 -5.051 1.00 0.00 N ATOM 231 CA GLN A 18 6.682 5.398 -5.720 1.00 0.00 C ATOM 232 C GLN A 18 8.028 6.081 -5.467 1.00 0.00 C ATOM 233 O GLN A 18 8.281 7.170 -5.979 1.00 0.00 O ATOM 234 CB GLN A 18 6.404 5.275 -7.220 1.00 0.00 C ATOM 235 CG GLN A 18 7.540 4.535 -7.929 1.00 0.00 C ATOM 236 CD GLN A 18 7.028 3.813 -9.178 1.00 0.00 C ATOM 237 OE1 GLN A 18 5.881 3.939 -9.573 1.00 0.00 O ATOM 238 NE2 GLN A 18 7.941 3.052 -9.775 1.00 0.00 N ATOM 0 H GLN A 18 4.916 6.524 -5.675 1.00 0.00 H new ATOM 0 HA GLN A 18 6.725 4.390 -5.307 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.465 4.744 -7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.285 6.268 -7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.321 5.242 -8.208 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.991 3.814 -7.247 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.884 2.991 -9.391 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.698 2.529 -10.617 1.00 0.00 H new ATOM 247 N GLU A 19 8.855 5.413 -4.676 1.00 0.00 N ATOM 248 CA GLU A 19 10.167 5.942 -4.348 1.00 0.00 C ATOM 249 C GLU A 19 11.176 5.572 -5.437 1.00 0.00 C ATOM 250 O GLU A 19 11.795 6.448 -6.038 1.00 0.00 O ATOM 251 CB GLU A 19 10.632 5.445 -2.977 1.00 0.00 C ATOM 252 CG GLU A 19 9.787 6.054 -1.857 1.00 0.00 C ATOM 253 CD GLU A 19 10.356 7.403 -1.412 1.00 0.00 C ATOM 254 OE1 GLU A 19 10.934 8.089 -2.282 1.00 0.00 O ATOM 255 OE2 GLU A 19 10.200 7.717 -0.212 1.00 0.00 O ATOM 0 H GLU A 19 8.641 4.510 -4.253 1.00 0.00 H new ATOM 0 HA GLU A 19 10.097 7.029 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.564 4.358 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.680 5.704 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.761 6.184 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.755 5.371 -1.008 1.00 0.00 H new ATOM 262 N MET A 20 11.310 4.272 -5.657 1.00 0.00 N ATOM 263 CA MET A 20 12.233 3.775 -6.663 1.00 0.00 C ATOM 264 C MET A 20 11.498 2.957 -7.726 1.00 0.00 C ATOM 265 O MET A 20 10.446 2.380 -7.452 1.00 0.00 O ATOM 266 CB MET A 20 13.298 2.903 -5.993 1.00 0.00 C ATOM 267 CG MET A 20 14.134 3.721 -5.007 1.00 0.00 C ATOM 268 SD MET A 20 15.222 4.822 -5.895 1.00 0.00 S ATOM 269 CE MET A 20 16.442 3.654 -6.473 1.00 0.00 C ATOM 0 H MET A 20 10.795 3.548 -5.156 1.00 0.00 H new ATOM 0 HA MET A 20 12.704 4.629 -7.150 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.819 2.075 -5.470 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.947 2.468 -6.752 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.479 4.295 -4.351 1.00 0.00 H new ATOM 0 HG3 MET A 20 14.717 3.054 -4.372 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.163 4.166 -7.110 1.00 0.00 H new ATOM 0 HE2 MET A 20 16.959 3.215 -5.619 1.00 0.00 H new ATOM 0 HE3 MET A 20 15.950 2.866 -7.043 1.00 0.00 H new ATOM 279 N GLU A 21 12.079 2.932 -8.916 1.00 0.00 N ATOM 280 CA GLU A 21 11.492 2.194 -10.021 1.00 0.00 C ATOM 281 C GLU A 21 12.293 0.919 -10.293 1.00 0.00 C ATOM 282 O GLU A 21 11.847 0.048 -11.039 1.00 0.00 O ATOM 283 CB GLU A 21 11.403 3.064 -11.276 1.00 0.00 C ATOM 284 CG GLU A 21 11.213 2.204 -12.527 1.00 0.00 C ATOM 285 CD GLU A 21 10.556 3.009 -13.651 1.00 0.00 C ATOM 286 OE1 GLU A 21 9.312 3.118 -13.618 1.00 0.00 O ATOM 287 OE2 GLU A 21 11.314 3.497 -14.517 1.00 0.00 O ATOM 0 H GLU A 21 12.951 3.412 -9.139 1.00 0.00 H new ATOM 0 HA GLU A 21 10.477 1.910 -9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.571 3.762 -11.181 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.310 3.660 -11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.178 1.825 -12.862 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.597 1.338 -12.287 1.00 0.00 H new ATOM 294 N ALA A 22 13.462 0.849 -9.673 1.00 0.00 N ATOM 295 CA ALA A 22 14.330 -0.305 -9.839 1.00 0.00 C ATOM 296 C ALA A 22 15.659 -0.044 -9.128 1.00 0.00 C ATOM 297 O ALA A 22 15.899 1.058 -8.637 1.00 0.00 O ATOM 298 CB ALA A 22 14.513 -0.595 -11.330 1.00 0.00 C ATOM 0 H ALA A 22 13.829 1.573 -9.055 1.00 0.00 H new ATOM 0 HA ALA A 22 13.883 -1.190 -9.387 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.164 -1.460 -11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.543 -0.802 -11.782 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.963 0.271 -11.817 1.00 0.00 H new ATOM 304 N PHE A 23 16.488 -1.077 -9.095 1.00 0.00 N ATOM 305 CA PHE A 23 17.787 -0.974 -8.452 1.00 0.00 C ATOM 306 C PHE A 23 18.525 0.286 -8.906 1.00 0.00 C ATOM 307 O PHE A 23 18.857 0.425 -10.083 1.00 0.00 O ATOM 308 CB PHE A 23 18.594 -2.204 -8.874 1.00 0.00 C ATOM 309 CG PHE A 23 17.897 -3.535 -8.584 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.481 -3.823 -7.322 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.695 -4.430 -9.588 1.00 0.00 C ATOM 312 CE1 PHE A 23 16.834 -5.059 -7.052 1.00 0.00 C ATOM 313 CE2 PHE A 23 17.049 -5.665 -9.318 1.00 0.00 C ATOM 314 CZ PHE A 23 16.632 -5.953 -8.056 1.00 0.00 C ATOM 0 H PHE A 23 16.285 -1.990 -9.503 1.00 0.00 H new ATOM 0 HA PHE A 23 17.663 -0.920 -7.370 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.803 -2.140 -9.942 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.555 -2.189 -8.360 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.642 -3.112 -6.525 1.00 0.00 H new ATOM 0 HD2 PHE A 23 18.026 -4.201 -10.590 1.00 0.00 H new ATOM 0 HE1 PHE A 23 16.503 -5.288 -6.050 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.889 -6.376 -10.115 1.00 0.00 H new ATOM 0 HZ PHE A 23 16.140 -6.892 -7.851 1.00 0.00 H new ATOM 324 N GLY A 24 18.761 1.173 -7.950 1.00 0.00 N ATOM 325 CA GLY A 24 19.454 2.417 -8.238 1.00 0.00 C ATOM 326 C GLY A 24 18.660 3.271 -9.228 1.00 0.00 C ATOM 327 O GLY A 24 19.176 4.252 -9.761 1.00 0.00 O ATOM 0 H GLY A 24 18.484 1.055 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.608 2.974 -7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.441 2.201 -8.648 1.00 0.00 H new ATOM 331 N LYS A 25 17.416 2.867 -9.444 1.00 0.00 N ATOM 332 CA LYS A 25 16.546 3.583 -10.361 1.00 0.00 C ATOM 333 C LYS A 25 15.614 4.497 -9.564 1.00 0.00 C ATOM 334 O LYS A 25 15.002 4.067 -8.587 1.00 0.00 O ATOM 335 CB LYS A 25 15.810 2.602 -11.277 1.00 0.00 C ATOM 336 CG LYS A 25 14.672 3.300 -12.025 1.00 0.00 C ATOM 337 CD LYS A 25 15.125 3.751 -13.415 1.00 0.00 C ATOM 338 CE LYS A 25 15.677 5.178 -13.375 1.00 0.00 C ATOM 339 NZ LYS A 25 16.276 5.538 -14.680 1.00 0.00 N ATOM 0 H LYS A 25 16.991 2.053 -9.000 1.00 0.00 H new ATOM 0 HA LYS A 25 17.132 4.222 -11.021 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.510 2.172 -11.993 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.410 1.777 -10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.823 2.622 -12.117 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.331 4.162 -11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.890 3.072 -13.790 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.286 3.701 -14.109 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.877 5.877 -13.130 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.427 5.263 -12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.646 6.509 -14.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.052 4.881 -14.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.551 5.477 -15.423 1.00 0.00 H new ATOM 353 N LYS A 26 15.535 5.742 -10.010 1.00 0.00 N ATOM 354 CA LYS A 26 14.687 6.721 -9.350 1.00 0.00 C ATOM 355 C LYS A 26 13.369 6.847 -10.116 1.00 0.00 C ATOM 356 O LYS A 26 13.358 6.836 -11.346 1.00 0.00 O ATOM 357 CB LYS A 26 15.431 8.048 -9.184 1.00 0.00 C ATOM 358 CG LYS A 26 15.439 8.840 -10.493 1.00 0.00 C ATOM 359 CD LYS A 26 16.186 10.165 -10.327 1.00 0.00 C ATOM 360 CE LYS A 26 17.413 10.221 -11.239 1.00 0.00 C ATOM 361 NZ LYS A 26 18.575 9.578 -10.584 1.00 0.00 N ATOM 0 H LYS A 26 16.044 6.096 -10.820 1.00 0.00 H new ATOM 0 HA LYS A 26 14.439 6.392 -8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.957 8.639 -8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.455 7.857 -8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.911 8.248 -11.277 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.415 9.033 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.518 10.995 -10.559 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.495 10.285 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.196 9.719 -12.182 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.650 11.258 -11.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.399 9.625 -11.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.791 10.074 -9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.351 8.583 -10.379 1.00 0.00 H new ATOM 375 N ALA A 27 12.289 6.964 -9.357 1.00 0.00 N ATOM 376 CA ALA A 27 10.969 7.092 -9.949 1.00 0.00 C ATOM 377 C ALA A 27 10.860 8.444 -10.657 1.00 0.00 C ATOM 378 O ALA A 27 11.473 9.422 -10.231 1.00 0.00 O ATOM 379 CB ALA A 27 9.904 6.914 -8.865 1.00 0.00 C ATOM 0 H ALA A 27 12.302 6.973 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 27 10.807 6.315 -10.696 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.913 7.010 -9.309 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.005 5.927 -8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.034 7.678 -8.099 1.00 0.00 H new ATOM 385 N ALA A 28 10.076 8.457 -11.725 1.00 0.00 N ATOM 386 CA ALA A 28 9.880 9.673 -12.495 1.00 0.00 C ATOM 387 C ALA A 28 9.396 10.788 -11.565 1.00 0.00 C ATOM 388 O ALA A 28 10.167 11.674 -11.200 1.00 0.00 O ATOM 389 CB ALA A 28 8.900 9.401 -13.638 1.00 0.00 C ATOM 0 H ALA A 28 9.569 7.644 -12.075 1.00 0.00 H new ATOM 0 HA ALA A 28 10.819 10.000 -12.941 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.753 10.313 -14.216 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.303 8.622 -14.286 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.945 9.073 -13.228 1.00 0.00 H new ATOM 395 N ASN A 29 8.123 10.706 -11.208 1.00 0.00 N ATOM 396 CA ASN A 29 7.527 11.697 -10.328 1.00 0.00 C ATOM 397 C ASN A 29 8.123 11.551 -8.926 1.00 0.00 C ATOM 398 O ASN A 29 8.933 12.375 -8.504 1.00 0.00 O ATOM 399 CB ASN A 29 6.014 11.500 -10.222 1.00 0.00 C ATOM 400 CG ASN A 29 5.267 12.786 -10.585 1.00 0.00 C ATOM 401 OD1 ASN A 29 5.555 13.863 -10.089 1.00 0.00 O ATOM 402 ND2 ASN A 29 4.294 12.613 -11.475 1.00 0.00 N ATOM 0 H ASN A 29 7.487 9.968 -11.512 1.00 0.00 H new ATOM 0 HA ASN A 29 7.734 12.684 -10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.701 10.694 -10.886 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.753 11.197 -9.208 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.736 13.410 -11.782 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.106 11.684 -11.850 1.00 0.00 H new ATOM 409 N ARG A 30 7.698 10.498 -8.245 1.00 0.00 N ATOM 410 CA ARG A 30 8.179 10.234 -6.899 1.00 0.00 C ATOM 411 C ARG A 30 7.502 11.173 -5.899 1.00 0.00 C ATOM 412 O ARG A 30 8.161 11.732 -5.024 1.00 0.00 O ATOM 413 CB ARG A 30 9.696 10.413 -6.811 1.00 0.00 C ATOM 414 CG ARG A 30 10.326 9.336 -5.927 1.00 0.00 C ATOM 415 CD ARG A 30 11.843 9.512 -5.844 1.00 0.00 C ATOM 416 NE ARG A 30 12.372 9.969 -7.148 1.00 0.00 N ATOM 417 CZ ARG A 30 12.458 11.255 -7.515 1.00 0.00 C ATOM 418 NH1 ARG A 30 12.052 12.219 -6.678 1.00 0.00 N ATOM 419 NH2 ARG A 30 12.951 11.577 -8.719 1.00 0.00 N ATOM 0 H ARG A 30 7.026 9.817 -8.599 1.00 0.00 H new ATOM 0 HA ARG A 30 7.932 9.201 -6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.129 10.367 -7.810 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.926 11.399 -6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.896 9.384 -4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.092 8.350 -6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.091 10.236 -5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.312 8.569 -5.562 1.00 0.00 H new ATOM 0 HE ARG A 30 12.691 9.261 -7.809 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.677 11.974 -5.761 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.117 13.198 -6.957 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.261 10.843 -9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.016 12.556 -8.998 1.00 0.00 H new ATOM 433 N SER A 31 6.196 11.318 -6.063 1.00 0.00 N ATOM 434 CA SER A 31 5.422 12.181 -5.186 1.00 0.00 C ATOM 435 C SER A 31 4.332 11.370 -4.483 1.00 0.00 C ATOM 436 O SER A 31 3.957 10.294 -4.947 1.00 0.00 O ATOM 437 CB SER A 31 4.801 13.343 -5.964 1.00 0.00 C ATOM 438 OG SER A 31 4.605 13.021 -7.338 1.00 0.00 O ATOM 0 H SER A 31 5.653 10.852 -6.790 1.00 0.00 H new ATOM 0 HA SER A 31 6.095 12.599 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.845 13.610 -5.514 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.446 14.218 -5.885 1.00 0.00 H new ATOM 0 HG SER A 31 5.154 13.613 -7.894 1.00 0.00 H new ATOM 444 N TRP A 32 3.855 11.916 -3.374 1.00 0.00 N ATOM 445 CA TRP A 32 2.816 11.256 -2.602 1.00 0.00 C ATOM 446 C TRP A 32 1.494 11.418 -3.354 1.00 0.00 C ATOM 447 O TRP A 32 1.144 12.521 -3.771 1.00 0.00 O ATOM 448 CB TRP A 32 2.763 11.804 -1.174 1.00 0.00 C ATOM 449 CG TRP A 32 3.857 11.255 -0.256 1.00 0.00 C ATOM 450 CD1 TRP A 32 5.056 11.790 0.010 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.802 10.034 0.512 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.775 11.007 0.890 1.00 0.00 N ATOM 453 CE2 TRP A 32 4.989 9.905 1.204 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.783 9.071 0.618 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.268 8.826 2.051 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.079 7.998 1.468 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.268 7.854 2.172 1.00 0.00 C ATOM 0 H TRP A 32 4.169 12.808 -2.992 1.00 0.00 H new ATOM 0 HA TRP A 32 3.029 10.192 -2.498 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.844 12.890 -1.209 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.790 11.571 -0.742 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.415 12.717 -0.411 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.711 11.201 1.245 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.847 9.152 0.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.205 8.748 2.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.330 7.228 1.584 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.420 6.996 2.810 1.00 0.00 H new ATOM 468 N GLN A 33 0.795 10.303 -3.504 1.00 0.00 N ATOM 469 CA GLN A 33 -0.482 10.307 -4.198 1.00 0.00 C ATOM 470 C GLN A 33 -1.415 9.253 -3.600 1.00 0.00 C ATOM 471 O GLN A 33 -1.102 8.063 -3.612 1.00 0.00 O ATOM 472 CB GLN A 33 -0.290 10.082 -5.699 1.00 0.00 C ATOM 473 CG GLN A 33 0.376 11.293 -6.355 1.00 0.00 C ATOM 474 CD GLN A 33 0.731 11.000 -7.814 1.00 0.00 C ATOM 475 OE1 GLN A 33 -0.109 11.008 -8.698 1.00 0.00 O ATOM 476 NE2 GLN A 33 2.020 10.742 -8.016 1.00 0.00 N ATOM 0 H GLN A 33 1.089 9.390 -3.157 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.942 11.286 -4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.321 9.194 -5.862 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.256 9.895 -6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.293 12.152 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.278 11.559 -5.804 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.671 10.752 -7.231 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.357 10.535 -8.956 1.00 0.00 H new ATOM 485 N ASN A 34 -2.543 9.727 -3.092 1.00 0.00 N ATOM 486 CA ASN A 34 -3.524 8.840 -2.490 1.00 0.00 C ATOM 487 C ASN A 34 -4.010 7.838 -3.539 1.00 0.00 C ATOM 488 O ASN A 34 -4.811 8.182 -4.407 1.00 0.00 O ATOM 489 CB ASN A 34 -4.738 9.622 -1.985 1.00 0.00 C ATOM 490 CG ASN A 34 -4.749 9.691 -0.457 1.00 0.00 C ATOM 491 OD1 ASN A 34 -4.373 10.681 0.149 1.00 0.00 O ATOM 492 ND2 ASN A 34 -5.199 8.586 0.131 1.00 0.00 N ATOM 0 H ASN A 34 -2.800 10.714 -3.085 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.049 8.332 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.723 10.631 -2.398 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.653 9.147 -2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.245 8.532 1.149 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.498 7.793 -0.436 1.00 0.00 H new ATOM 499 N VAL A 35 -3.505 6.618 -3.425 1.00 0.00 N ATOM 500 CA VAL A 35 -3.878 5.564 -4.353 1.00 0.00 C ATOM 501 C VAL A 35 -4.502 4.404 -3.576 1.00 0.00 C ATOM 502 O VAL A 35 -3.909 3.899 -2.624 1.00 0.00 O ATOM 503 CB VAL A 35 -2.663 5.143 -5.182 1.00 0.00 C ATOM 504 CG1 VAL A 35 -3.006 3.966 -6.098 1.00 0.00 C ATOM 505 CG2 VAL A 35 -2.114 6.322 -5.988 1.00 0.00 C ATOM 0 H VAL A 35 -2.841 6.336 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.627 5.923 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.884 4.816 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.125 3.686 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.328 3.117 -5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.809 4.255 -6.776 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.251 5.996 -6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.886 6.692 -6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.814 7.119 -5.308 1.00 0.00 H new ATOM 515 N TYR A 36 -5.692 4.014 -4.011 1.00 0.00 N ATOM 516 CA TYR A 36 -6.403 2.923 -3.367 1.00 0.00 C ATOM 517 C TYR A 36 -5.700 1.587 -3.618 1.00 0.00 C ATOM 518 O TYR A 36 -5.619 1.128 -4.756 1.00 0.00 O ATOM 519 CB TYR A 36 -7.790 2.884 -4.013 1.00 0.00 C ATOM 520 CG TYR A 36 -8.873 2.270 -3.124 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.216 2.878 -1.934 1.00 0.00 C ATOM 522 CD2 TYR A 36 -9.507 1.107 -3.513 1.00 0.00 C ATOM 523 CE1 TYR A 36 -10.236 2.300 -1.098 1.00 0.00 C ATOM 524 CE2 TYR A 36 -10.527 0.529 -2.677 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.841 1.154 -1.510 1.00 0.00 C ATOM 526 OH TYR A 36 -11.804 0.608 -0.720 1.00 0.00 O ATOM 0 H TYR A 36 -6.181 4.434 -4.801 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.448 3.077 -2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.085 3.899 -4.278 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.731 2.316 -4.942 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.719 3.787 -1.629 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.238 0.631 -4.444 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.514 2.766 -0.164 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.031 -0.380 -2.970 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.149 -0.207 -1.141 1.00 0.00 H new ATOM 536 N CYS A 37 -5.209 1.001 -2.536 1.00 0.00 N ATOM 537 CA CYS A 37 -4.515 -0.273 -2.624 1.00 0.00 C ATOM 538 C CYS A 37 -5.562 -1.388 -2.665 1.00 0.00 C ATOM 539 O CYS A 37 -6.471 -1.422 -1.837 1.00 0.00 O ATOM 540 CB CYS A 37 -3.527 -0.460 -1.471 1.00 0.00 C ATOM 541 SG CYS A 37 -1.821 -0.145 -2.052 1.00 0.00 S ATOM 0 H CYS A 37 -5.278 1.385 -1.593 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.918 -0.303 -3.535 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.774 0.220 -0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.604 -1.473 -1.076 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.212 0.634 -1.208 1.00 0.00 H new ATOM 547 N VAL A 38 -5.400 -2.273 -3.638 1.00 0.00 N ATOM 548 CA VAL A 38 -6.319 -3.386 -3.798 1.00 0.00 C ATOM 549 C VAL A 38 -5.521 -4.676 -3.999 1.00 0.00 C ATOM 550 O VAL A 38 -4.962 -4.904 -5.071 1.00 0.00 O ATOM 551 CB VAL A 38 -7.293 -3.101 -4.943 1.00 0.00 C ATOM 552 CG1 VAL A 38 -8.125 -4.340 -5.277 1.00 0.00 C ATOM 553 CG2 VAL A 38 -8.193 -1.908 -4.613 1.00 0.00 C ATOM 0 H VAL A 38 -4.645 -2.241 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.923 -3.514 -2.900 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.707 -2.844 -5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.809 -4.110 -6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.463 -5.153 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.697 -4.642 -4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.876 -1.727 -5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.767 -2.123 -3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.578 -1.023 -4.449 1.00 0.00 H new ATOM 563 N LEU A 39 -5.494 -5.487 -2.951 1.00 0.00 N ATOM 564 CA LEU A 39 -4.774 -6.748 -3.000 1.00 0.00 C ATOM 565 C LEU A 39 -5.760 -7.883 -3.285 1.00 0.00 C ATOM 566 O LEU A 39 -6.865 -7.900 -2.745 1.00 0.00 O ATOM 567 CB LEU A 39 -3.959 -6.949 -1.721 1.00 0.00 C ATOM 568 CG LEU A 39 -2.994 -8.137 -1.720 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.540 -7.662 -1.764 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.260 -9.058 -0.528 1.00 0.00 C ATOM 0 H LEU A 39 -5.959 -5.295 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.050 -6.742 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.386 -6.041 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.651 -7.068 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.170 -8.721 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.875 -8.526 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.375 -7.079 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.333 -7.043 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.561 -9.894 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.128 -8.500 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.281 -9.437 -0.582 1.00 0.00 H new ATOM 582 N ARG A 40 -5.325 -8.803 -4.133 1.00 0.00 N ATOM 583 CA ARG A 40 -6.155 -9.939 -4.496 1.00 0.00 C ATOM 584 C ARG A 40 -5.323 -10.990 -5.233 1.00 0.00 C ATOM 585 O ARG A 40 -4.442 -10.650 -6.021 1.00 0.00 O ATOM 586 CB ARG A 40 -7.322 -9.506 -5.386 1.00 0.00 C ATOM 587 CG ARG A 40 -8.623 -10.184 -4.953 1.00 0.00 C ATOM 588 CD ARG A 40 -9.447 -9.263 -4.050 1.00 0.00 C ATOM 589 NE ARG A 40 -10.524 -10.034 -3.390 1.00 0.00 N ATOM 590 CZ ARG A 40 -11.686 -10.355 -3.976 1.00 0.00 C ATOM 591 NH1 ARG A 40 -11.927 -9.975 -5.238 1.00 0.00 N ATOM 592 NH2 ARG A 40 -12.606 -11.057 -3.301 1.00 0.00 N ATOM 0 H ARG A 40 -4.408 -8.785 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.554 -10.366 -3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.439 -8.423 -5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.105 -9.757 -6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.207 -10.454 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.396 -11.110 -4.424 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.803 -8.805 -3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.877 -8.452 -4.638 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.373 -10.340 -2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.226 -9.442 -5.753 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.811 -10.219 -5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.422 -11.347 -2.341 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.490 -11.301 -3.747 1.00 0.00 H new ATOM 606 N ARG A 41 -5.633 -12.247 -4.952 1.00 0.00 N ATOM 607 CA ARG A 41 -4.925 -13.351 -5.578 1.00 0.00 C ATOM 608 C ARG A 41 -3.413 -13.146 -5.462 1.00 0.00 C ATOM 609 O ARG A 41 -2.650 -13.656 -6.281 1.00 0.00 O ATOM 610 CB ARG A 41 -5.304 -13.481 -7.055 1.00 0.00 C ATOM 611 CG ARG A 41 -5.858 -14.874 -7.358 1.00 0.00 C ATOM 612 CD ARG A 41 -6.070 -15.064 -8.862 1.00 0.00 C ATOM 613 NE ARG A 41 -7.382 -14.509 -9.262 1.00 0.00 N ATOM 614 CZ ARG A 41 -7.587 -13.227 -9.592 1.00 0.00 C ATOM 615 NH1 ARG A 41 -6.566 -12.359 -9.573 1.00 0.00 N ATOM 616 NH2 ARG A 41 -8.812 -12.812 -9.943 1.00 0.00 N ATOM 0 H ARG A 41 -6.365 -12.526 -4.299 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.211 -14.266 -5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.048 -12.726 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.429 -13.290 -7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.169 -15.632 -6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.803 -15.016 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.272 -14.569 -9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.022 -16.124 -9.113 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.181 -15.143 -9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.633 -12.675 -9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.722 -11.383 -9.824 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.589 -13.472 -9.959 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.967 -11.836 -10.194 1.00 0.00 H new ATOM 630 N GLY A 42 -3.026 -12.398 -4.439 1.00 0.00 N ATOM 631 CA GLY A 42 -1.620 -12.119 -4.206 1.00 0.00 C ATOM 632 C GLY A 42 -1.082 -11.116 -5.229 1.00 0.00 C ATOM 633 O GLY A 42 -0.029 -11.336 -5.824 1.00 0.00 O ATOM 0 H GLY A 42 -3.662 -11.977 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.486 -11.724 -3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.048 -13.045 -4.264 1.00 0.00 H new ATOM 637 N SER A 43 -1.832 -10.037 -5.402 1.00 0.00 N ATOM 638 CA SER A 43 -1.444 -9.000 -6.343 1.00 0.00 C ATOM 639 C SER A 43 -2.018 -7.652 -5.902 1.00 0.00 C ATOM 640 O SER A 43 -3.221 -7.529 -5.678 1.00 0.00 O ATOM 641 CB SER A 43 -1.912 -9.338 -7.760 1.00 0.00 C ATOM 642 OG SER A 43 -3.333 -9.416 -7.848 1.00 0.00 O ATOM 0 H SER A 43 -2.706 -9.859 -4.907 1.00 0.00 H new ATOM 0 HA SER A 43 -0.356 -8.939 -6.354 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.547 -8.580 -8.453 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.477 -10.288 -8.069 1.00 0.00 H new ATOM 0 HG SER A 43 -3.710 -9.546 -6.953 1.00 0.00 H new ATOM 648 N LEU A 44 -1.130 -6.675 -5.790 1.00 0.00 N ATOM 649 CA LEU A 44 -1.533 -5.341 -5.379 1.00 0.00 C ATOM 650 C LEU A 44 -1.905 -4.522 -6.617 1.00 0.00 C ATOM 651 O LEU A 44 -1.102 -4.382 -7.538 1.00 0.00 O ATOM 652 CB LEU A 44 -0.446 -4.694 -4.518 1.00 0.00 C ATOM 653 CG LEU A 44 -0.821 -3.371 -3.847 1.00 0.00 C ATOM 654 CD1 LEU A 44 -2.045 -3.541 -2.945 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.372 -2.783 -3.090 1.00 0.00 C ATOM 0 H LEU A 44 -0.133 -6.781 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.421 -5.388 -4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.155 -5.402 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.432 -4.526 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.092 -2.658 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.290 -2.586 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.891 -3.883 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.827 -4.276 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.079 -1.843 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.697 -3.485 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.191 -2.602 -3.786 1.00 0.00 H new ATOM 667 N GLY A 45 -3.124 -4.002 -6.598 1.00 0.00 N ATOM 668 CA GLY A 45 -3.612 -3.201 -7.707 1.00 0.00 C ATOM 669 C GLY A 45 -3.943 -1.778 -7.252 1.00 0.00 C ATOM 670 O GLY A 45 -4.671 -1.587 -6.279 1.00 0.00 O ATOM 0 H GLY A 45 -3.787 -4.120 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.860 -3.169 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.501 -3.666 -8.133 1.00 0.00 H new ATOM 674 N PHE A 46 -3.393 -0.816 -7.977 1.00 0.00 N ATOM 675 CA PHE A 46 -3.620 0.584 -7.660 1.00 0.00 C ATOM 676 C PHE A 46 -4.818 1.134 -8.436 1.00 0.00 C ATOM 677 O PHE A 46 -4.950 0.893 -9.635 1.00 0.00 O ATOM 678 CB PHE A 46 -2.362 1.347 -8.079 1.00 0.00 C ATOM 679 CG PHE A 46 -1.069 0.797 -7.473 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.932 0.717 -6.122 1.00 0.00 C ATOM 681 CD2 PHE A 46 -0.058 0.389 -8.285 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.268 0.206 -5.559 1.00 0.00 C ATOM 683 CE2 PHE A 46 1.142 -0.121 -7.722 1.00 0.00 C ATOM 684 CZ PHE A 46 1.279 -0.202 -6.371 1.00 0.00 C ATOM 0 H PHE A 46 -2.790 -0.978 -8.784 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.828 0.696 -6.596 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.280 1.323 -9.166 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.471 2.392 -7.790 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.735 1.042 -5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.167 0.453 -9.358 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.377 0.142 -4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.946 -0.445 -8.367 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.191 -0.591 -5.943 1.00 0.00 H new ATOM 694 N TYR A 47 -5.662 1.863 -7.720 1.00 0.00 N ATOM 695 CA TYR A 47 -6.845 2.450 -8.326 1.00 0.00 C ATOM 696 C TYR A 47 -7.057 3.884 -7.838 1.00 0.00 C ATOM 697 O TYR A 47 -6.766 4.201 -6.686 1.00 0.00 O ATOM 698 CB TYR A 47 -8.024 1.588 -7.870 1.00 0.00 C ATOM 699 CG TYR A 47 -7.960 0.139 -8.355 1.00 0.00 C ATOM 700 CD1 TYR A 47 -7.089 -0.751 -7.759 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.773 -0.279 -9.389 1.00 0.00 C ATOM 702 CE1 TYR A 47 -7.029 -2.115 -8.216 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.713 -1.643 -9.846 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.844 -2.494 -9.237 1.00 0.00 C ATOM 705 OH TYR A 47 -7.787 -3.782 -9.668 1.00 0.00 O ATOM 0 H TYR A 47 -5.550 2.060 -6.726 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.745 2.481 -9.411 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.065 1.594 -6.781 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.950 2.039 -8.227 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.453 -0.424 -6.950 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.454 0.417 -9.855 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.352 -2.821 -7.758 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.344 -1.983 -10.654 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.425 -3.910 -10.401 1.00 0.00 H new ATOM 715 N LYS A 48 -7.564 4.713 -8.739 1.00 0.00 N ATOM 716 CA LYS A 48 -7.819 6.106 -8.414 1.00 0.00 C ATOM 717 C LYS A 48 -8.380 6.200 -6.994 1.00 0.00 C ATOM 718 O LYS A 48 -7.812 6.882 -6.142 1.00 0.00 O ATOM 719 CB LYS A 48 -8.717 6.748 -9.474 1.00 0.00 C ATOM 720 CG LYS A 48 -8.992 8.216 -9.144 1.00 0.00 C ATOM 721 CD LYS A 48 -9.402 8.992 -10.397 1.00 0.00 C ATOM 722 CE LYS A 48 -10.925 9.066 -10.522 1.00 0.00 C ATOM 723 NZ LYS A 48 -11.310 9.851 -11.716 1.00 0.00 N ATOM 0 H LYS A 48 -7.805 4.447 -9.694 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.890 6.676 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.241 6.674 -10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.659 6.203 -9.536 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.782 8.282 -8.396 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.101 8.667 -8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.987 9.999 -10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.984 8.510 -11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.339 8.060 -10.592 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.347 9.523 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.347 9.891 -11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.931 10.816 -11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.923 9.398 -12.569 1.00 0.00 H new ATOM 737 N ASP A 49 -9.488 5.505 -6.783 1.00 0.00 N ATOM 738 CA ASP A 49 -10.133 5.501 -5.481 1.00 0.00 C ATOM 739 C ASP A 49 -11.050 4.282 -5.374 1.00 0.00 C ATOM 740 O ASP A 49 -11.129 3.477 -6.301 1.00 0.00 O ATOM 741 CB ASP A 49 -10.988 6.755 -5.286 1.00 0.00 C ATOM 742 CG ASP A 49 -11.427 7.446 -6.578 1.00 0.00 C ATOM 743 OD1 ASP A 49 -11.864 6.714 -7.492 1.00 0.00 O ATOM 744 OD2 ASP A 49 -11.316 8.690 -6.623 1.00 0.00 O ATOM 0 H ASP A 49 -9.956 4.940 -7.492 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.354 5.474 -4.719 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.877 6.485 -4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.427 7.469 -4.683 1.00 0.00 H new ATOM 749 N ALA A 50 -11.721 4.183 -4.235 1.00 0.00 N ATOM 750 CA ALA A 50 -12.629 3.075 -3.995 1.00 0.00 C ATOM 751 C ALA A 50 -13.731 3.086 -5.057 1.00 0.00 C ATOM 752 O ALA A 50 -14.357 2.059 -5.318 1.00 0.00 O ATOM 753 CB ALA A 50 -13.188 3.171 -2.574 1.00 0.00 C ATOM 0 H ALA A 50 -11.653 4.853 -3.468 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.103 2.124 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.869 2.339 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.368 3.130 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.725 4.112 -2.457 1.00 0.00 H new ATOM 759 N LYS A 51 -13.935 4.258 -5.640 1.00 0.00 N ATOM 760 CA LYS A 51 -14.951 4.416 -6.667 1.00 0.00 C ATOM 761 C LYS A 51 -14.406 3.899 -8.000 1.00 0.00 C ATOM 762 O LYS A 51 -15.170 3.640 -8.929 1.00 0.00 O ATOM 763 CB LYS A 51 -15.437 5.866 -6.722 1.00 0.00 C ATOM 764 CG LYS A 51 -16.170 6.247 -5.435 1.00 0.00 C ATOM 765 CD LYS A 51 -17.645 5.849 -5.505 1.00 0.00 C ATOM 766 CE LYS A 51 -18.305 5.944 -4.128 1.00 0.00 C ATOM 767 NZ LYS A 51 -18.477 4.595 -3.542 1.00 0.00 N ATOM 0 H LYS A 51 -13.414 5.107 -5.421 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.831 3.819 -6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.588 6.533 -6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.101 5.999 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.697 5.756 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.087 7.321 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.167 6.498 -6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -17.733 4.831 -5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.694 6.559 -3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.274 6.435 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.926 4.677 -2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.078 4.020 -4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.548 4.140 -3.440 1.00 0.00 H new ATOM 781 N ALA A 52 -13.089 3.764 -8.053 1.00 0.00 N ATOM 782 CA ALA A 52 -12.433 3.283 -9.257 1.00 0.00 C ATOM 783 C ALA A 52 -12.181 1.780 -9.129 1.00 0.00 C ATOM 784 O ALA A 52 -12.099 1.072 -10.132 1.00 0.00 O ATOM 785 CB ALA A 52 -11.144 4.074 -9.487 1.00 0.00 C ATOM 0 H ALA A 52 -12.458 3.979 -7.281 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.069 3.437 -10.129 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.652 3.713 -10.390 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.382 5.132 -9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.479 3.942 -8.634 1.00 0.00 H new ATOM 791 N ALA A 53 -12.064 1.335 -7.886 1.00 0.00 N ATOM 792 CA ALA A 53 -11.822 -0.071 -7.613 1.00 0.00 C ATOM 793 C ALA A 53 -13.114 -0.859 -7.839 1.00 0.00 C ATOM 794 O ALA A 53 -13.090 -1.947 -8.413 1.00 0.00 O ATOM 795 CB ALA A 53 -11.283 -0.230 -6.190 1.00 0.00 C ATOM 0 H ALA A 53 -12.132 1.924 -7.056 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.069 -0.470 -8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.102 -1.285 -5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.350 0.325 -6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.013 0.157 -5.479 1.00 0.00 H new ATOM 801 N SER A 54 -14.212 -0.280 -7.375 1.00 0.00 N ATOM 802 CA SER A 54 -15.511 -0.914 -7.518 1.00 0.00 C ATOM 803 C SER A 54 -15.932 -0.916 -8.989 1.00 0.00 C ATOM 804 O SER A 54 -16.700 -1.777 -9.417 1.00 0.00 O ATOM 805 CB SER A 54 -16.566 -0.208 -6.665 1.00 0.00 C ATOM 806 OG SER A 54 -17.593 -1.100 -6.240 1.00 0.00 O ATOM 0 H SER A 54 -14.228 0.622 -6.899 1.00 0.00 H new ATOM 0 HA SER A 54 -15.430 -1.943 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.088 0.237 -5.792 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.008 0.608 -7.237 1.00 0.00 H new ATOM 0 HG SER A 54 -18.246 -0.612 -5.697 1.00 0.00 H new ATOM 812 N ALA A 55 -15.412 0.057 -9.722 1.00 0.00 N ATOM 813 CA ALA A 55 -15.725 0.178 -11.136 1.00 0.00 C ATOM 814 C ALA A 55 -14.680 -0.585 -11.952 1.00 0.00 C ATOM 815 O ALA A 55 -14.763 -0.639 -13.178 1.00 0.00 O ATOM 816 CB ALA A 55 -15.796 1.658 -11.518 1.00 0.00 C ATOM 0 H ALA A 55 -14.776 0.769 -9.364 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.698 -0.262 -11.353 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.031 1.749 -12.579 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.573 2.148 -10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.835 2.132 -11.317 1.00 0.00 H new ATOM 822 N GLY A 56 -13.720 -1.157 -11.239 1.00 0.00 N ATOM 823 CA GLY A 56 -12.661 -1.915 -11.882 1.00 0.00 C ATOM 824 C GLY A 56 -11.861 -1.033 -12.844 1.00 0.00 C ATOM 825 O GLY A 56 -11.461 -1.482 -13.917 1.00 0.00 O ATOM 0 H GLY A 56 -13.654 -1.110 -10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.996 -2.331 -11.125 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.090 -2.756 -12.426 1.00 0.00 H new ATOM 829 N VAL A 57 -11.652 0.206 -12.424 1.00 0.00 N ATOM 830 CA VAL A 57 -10.908 1.155 -13.234 1.00 0.00 C ATOM 831 C VAL A 57 -9.524 1.369 -12.618 1.00 0.00 C ATOM 832 O VAL A 57 -9.406 1.909 -11.519 1.00 0.00 O ATOM 833 CB VAL A 57 -11.703 2.454 -13.382 1.00 0.00 C ATOM 834 CG1 VAL A 57 -10.956 3.457 -14.264 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.105 2.178 -13.931 1.00 0.00 C ATOM 0 H VAL A 57 -11.985 0.575 -11.533 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.760 0.764 -14.241 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.811 2.896 -12.391 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.543 4.371 -14.353 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.990 3.688 -13.815 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.802 3.027 -15.254 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.650 3.117 -14.027 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.026 1.703 -14.909 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.639 1.517 -13.249 1.00 0.00 H new ATOM 845 N PRO A 58 -8.484 0.923 -13.373 1.00 0.00 N ATOM 846 CA PRO A 58 -7.112 1.060 -12.912 1.00 0.00 C ATOM 847 C PRO A 58 -6.632 2.507 -13.044 1.00 0.00 C ATOM 848 O PRO A 58 -6.827 3.138 -14.082 1.00 0.00 O ATOM 849 CB PRO A 58 -6.312 0.089 -13.765 1.00 0.00 C ATOM 850 CG PRO A 58 -7.178 -0.212 -14.977 1.00 0.00 C ATOM 851 CD PRO A 58 -8.586 0.279 -14.679 1.00 0.00 C ATOM 0 HA PRO A 58 -6.998 0.827 -11.853 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.359 0.526 -14.064 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.085 -0.822 -13.211 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.780 0.284 -15.863 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.183 -1.282 -15.186 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.931 0.979 -15.440 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.298 -0.546 -14.659 1.00 0.00 H new ATOM 859 N TYR A 59 -6.013 2.991 -11.977 1.00 0.00 N ATOM 860 CA TYR A 59 -5.503 4.351 -11.960 1.00 0.00 C ATOM 861 C TYR A 59 -4.490 4.571 -13.085 1.00 0.00 C ATOM 862 O TYR A 59 -3.432 3.945 -13.103 1.00 0.00 O ATOM 863 CB TYR A 59 -4.797 4.520 -10.613 1.00 0.00 C ATOM 864 CG TYR A 59 -4.850 5.945 -10.057 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.162 6.999 -10.891 1.00 0.00 C ATOM 866 CD2 TYR A 59 -4.585 6.175 -8.722 1.00 0.00 C ATOM 867 CE1 TYR A 59 -5.212 8.340 -10.367 1.00 0.00 C ATOM 868 CE2 TYR A 59 -4.635 7.515 -8.199 1.00 0.00 C ATOM 869 CZ TYR A 59 -4.946 8.532 -9.047 1.00 0.00 C ATOM 870 OH TYR A 59 -4.992 9.798 -8.553 1.00 0.00 O ATOM 0 H TYR A 59 -5.853 2.465 -11.118 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.313 5.066 -12.100 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.249 3.842 -9.890 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.754 4.222 -10.721 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.369 6.819 -11.936 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.340 5.350 -8.070 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.455 9.174 -11.008 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.430 7.709 -7.156 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.782 9.784 -7.596 1.00 0.00 H new ATOM 880 N HIS A 60 -4.850 5.463 -13.996 1.00 0.00 N ATOM 881 CA HIS A 60 -3.985 5.774 -15.122 1.00 0.00 C ATOM 882 C HIS A 60 -3.606 4.482 -15.849 1.00 0.00 C ATOM 883 O HIS A 60 -2.612 4.442 -16.573 1.00 0.00 O ATOM 884 CB HIS A 60 -2.766 6.578 -14.665 1.00 0.00 C ATOM 885 CG HIS A 60 -3.057 8.036 -14.399 1.00 0.00 C ATOM 886 ND1 HIS A 60 -2.186 9.050 -14.757 1.00 0.00 N ATOM 887 CD2 HIS A 60 -4.129 8.638 -13.809 1.00 0.00 C ATOM 888 CE1 HIS A 60 -2.720 10.207 -14.392 1.00 0.00 C ATOM 889 NE2 HIS A 60 -3.924 9.949 -13.805 1.00 0.00 N ATOM 0 H HIS A 60 -5.729 5.980 -13.978 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.518 6.406 -15.832 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.365 6.127 -13.757 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.990 6.506 -15.427 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.998 8.133 -13.412 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.279 11.183 -14.534 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.562 10.649 -13.425 1.00 0.00 H new ATOM 897 N GLY A 61 -4.416 3.457 -15.630 1.00 0.00 N ATOM 898 CA GLY A 61 -4.178 2.168 -16.255 1.00 0.00 C ATOM 899 C GLY A 61 -2.868 1.552 -15.759 1.00 0.00 C ATOM 900 O GLY A 61 -2.112 0.977 -16.541 1.00 0.00 O ATOM 0 H GLY A 61 -5.238 3.493 -15.028 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.007 1.495 -16.035 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.141 2.286 -17.338 1.00 0.00 H new ATOM 904 N GLU A 62 -2.639 1.692 -14.461 1.00 0.00 N ATOM 905 CA GLU A 62 -1.434 1.157 -13.851 1.00 0.00 C ATOM 906 C GLU A 62 -1.684 -0.263 -13.340 1.00 0.00 C ATOM 907 O GLU A 62 -2.138 -0.450 -12.212 1.00 0.00 O ATOM 908 CB GLU A 62 -0.939 2.066 -12.725 1.00 0.00 C ATOM 909 CG GLU A 62 -0.307 3.341 -13.287 1.00 0.00 C ATOM 910 CD GLU A 62 0.199 4.244 -12.160 1.00 0.00 C ATOM 911 OE1 GLU A 62 -0.637 4.610 -11.307 1.00 0.00 O ATOM 912 OE2 GLU A 62 1.411 4.549 -12.178 1.00 0.00 O ATOM 0 H GLU A 62 -3.268 2.169 -13.815 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.653 1.117 -14.610 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.771 2.326 -12.071 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.209 1.532 -12.116 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.519 3.081 -13.948 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.039 3.880 -13.889 1.00 0.00 H new ATOM 919 N VAL A 63 -1.376 -1.228 -14.194 1.00 0.00 N ATOM 920 CA VAL A 63 -1.561 -2.626 -13.843 1.00 0.00 C ATOM 921 C VAL A 63 -1.075 -2.856 -12.411 1.00 0.00 C ATOM 922 O VAL A 63 -0.400 -2.004 -11.836 1.00 0.00 O ATOM 923 CB VAL A 63 -0.856 -3.520 -14.865 1.00 0.00 C ATOM 924 CG1 VAL A 63 -1.837 -4.016 -15.929 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.327 -2.793 -15.506 1.00 0.00 C ATOM 0 H VAL A 63 -0.999 -1.069 -15.129 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.618 -2.891 -13.874 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.467 -4.390 -14.336 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.310 -4.649 -16.643 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.631 -4.590 -15.452 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.269 -3.163 -16.451 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.810 -3.451 -16.228 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.029 -1.896 -16.013 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.044 -2.513 -14.734 1.00 0.00 H new ATOM 935 N PRO A 64 -1.448 -4.043 -11.861 1.00 0.00 N ATOM 936 CA PRO A 64 -1.057 -4.396 -10.507 1.00 0.00 C ATOM 937 C PRO A 64 0.420 -4.793 -10.448 1.00 0.00 C ATOM 938 O PRO A 64 1.029 -5.085 -11.476 1.00 0.00 O ATOM 939 CB PRO A 64 -1.992 -5.527 -10.110 1.00 0.00 C ATOM 940 CG PRO A 64 -2.557 -6.077 -11.410 1.00 0.00 C ATOM 941 CD PRO A 64 -2.247 -5.077 -12.512 1.00 0.00 C ATOM 0 HA PRO A 64 -1.146 -3.561 -9.812 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.457 -6.300 -9.559 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.789 -5.165 -9.460 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.115 -7.047 -11.639 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.633 -6.230 -11.324 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.698 -5.546 -13.329 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.160 -4.662 -12.938 1.00 0.00 H new ATOM 949 N VAL A 65 0.952 -4.790 -9.235 1.00 0.00 N ATOM 950 CA VAL A 65 2.346 -5.145 -9.029 1.00 0.00 C ATOM 951 C VAL A 65 2.424 -6.528 -8.378 1.00 0.00 C ATOM 952 O VAL A 65 1.858 -6.747 -7.308 1.00 0.00 O ATOM 953 CB VAL A 65 3.048 -4.059 -8.211 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.359 -2.836 -9.076 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.214 -3.668 -6.989 1.00 0.00 C ATOM 0 H VAL A 65 0.443 -4.547 -8.385 1.00 0.00 H new ATOM 0 HA VAL A 65 2.870 -5.204 -9.983 1.00 0.00 H new ATOM 0 HB VAL A 65 3.994 -4.467 -7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.858 -2.079 -8.470 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.010 -3.129 -9.899 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.431 -2.427 -9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.735 -2.895 -6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.246 -3.288 -7.316 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.066 -4.542 -6.355 1.00 0.00 H new ATOM 965 N SER A 66 3.130 -7.424 -9.051 1.00 0.00 N ATOM 966 CA SER A 66 3.289 -8.780 -8.551 1.00 0.00 C ATOM 967 C SER A 66 4.130 -8.771 -7.273 1.00 0.00 C ATOM 968 O SER A 66 5.195 -8.157 -7.230 1.00 0.00 O ATOM 969 CB SER A 66 3.935 -9.683 -9.604 1.00 0.00 C ATOM 970 OG SER A 66 2.962 -10.373 -10.384 1.00 0.00 O ATOM 0 H SER A 66 3.598 -7.238 -9.938 1.00 0.00 H new ATOM 0 HA SER A 66 2.300 -9.179 -8.326 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.566 -9.082 -10.259 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.585 -10.407 -9.112 1.00 0.00 H new ATOM 0 HG SER A 66 3.414 -10.937 -11.046 1.00 0.00 H new ATOM 976 N LEU A 67 3.619 -9.458 -6.262 1.00 0.00 N ATOM 977 CA LEU A 67 4.310 -9.537 -4.986 1.00 0.00 C ATOM 978 C LEU A 67 5.141 -10.821 -4.939 1.00 0.00 C ATOM 979 O LEU A 67 5.364 -11.381 -3.867 1.00 0.00 O ATOM 980 CB LEU A 67 3.316 -9.405 -3.830 1.00 0.00 C ATOM 981 CG LEU A 67 2.400 -8.181 -3.869 1.00 0.00 C ATOM 982 CD1 LEU A 67 1.153 -8.401 -3.011 1.00 0.00 C ATOM 983 CD2 LEU A 67 3.158 -6.915 -3.464 1.00 0.00 C ATOM 0 H LEU A 67 2.735 -9.965 -6.300 1.00 0.00 H new ATOM 0 HA LEU A 67 5.004 -8.704 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.693 -10.299 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.877 -9.385 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 67 2.063 -8.040 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.519 -7.515 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.601 -9.262 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.450 -8.582 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.483 -6.060 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.544 -7.030 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.988 -6.752 -4.152 1.00 0.00 H new ATOM 995 N ALA A 68 5.577 -11.249 -6.115 1.00 0.00 N ATOM 996 CA ALA A 68 6.379 -12.456 -6.222 1.00 0.00 C ATOM 997 C ALA A 68 7.823 -12.139 -5.829 1.00 0.00 C ATOM 998 O ALA A 68 8.545 -11.483 -6.579 1.00 0.00 O ATOM 999 CB ALA A 68 6.270 -13.017 -7.641 1.00 0.00 C ATOM 0 H ALA A 68 5.390 -10.781 -7.002 1.00 0.00 H new ATOM 0 HA ALA A 68 6.012 -13.223 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.872 -13.922 -7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.229 -13.253 -7.860 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.632 -12.276 -8.354 1.00 0.00 H new ATOM 1005 N ARG A 69 8.203 -12.621 -4.655 1.00 0.00 N ATOM 1006 CA ARG A 69 9.549 -12.398 -4.154 1.00 0.00 C ATOM 1007 C ARG A 69 9.697 -10.959 -3.655 1.00 0.00 C ATOM 1008 O ARG A 69 10.808 -10.434 -3.586 1.00 0.00 O ATOM 1009 CB ARG A 69 10.592 -12.664 -5.241 1.00 0.00 C ATOM 1010 CG ARG A 69 10.278 -13.956 -5.998 1.00 0.00 C ATOM 1011 CD ARG A 69 11.561 -14.706 -6.358 1.00 0.00 C ATOM 1012 NE ARG A 69 12.185 -14.098 -7.555 1.00 0.00 N ATOM 1013 CZ ARG A 69 13.160 -14.676 -8.270 1.00 0.00 C ATOM 1014 NH1 ARG A 69 13.629 -15.879 -7.914 1.00 0.00 N ATOM 1015 NH2 ARG A 69 13.666 -14.050 -9.341 1.00 0.00 N ATOM 0 H ARG A 69 7.602 -13.165 -4.036 1.00 0.00 H new ATOM 0 HA ARG A 69 9.716 -13.091 -3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.617 -11.827 -5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.582 -12.734 -4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.639 -14.594 -5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.721 -13.724 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.257 -14.675 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.337 -15.756 -6.548 1.00 0.00 H new ATOM 0 HE ARG A 69 11.852 -13.182 -7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.244 -16.356 -7.098 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.371 -16.319 -8.458 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.309 -13.134 -9.612 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.408 -14.490 -9.885 1.00 0.00 H new ATOM 1029 N ALA A 70 8.563 -10.363 -3.319 1.00 0.00 N ATOM 1030 CA ALA A 70 8.553 -8.995 -2.828 1.00 0.00 C ATOM 1031 C ALA A 70 8.639 -9.006 -1.301 1.00 0.00 C ATOM 1032 O ALA A 70 8.209 -9.962 -0.658 1.00 0.00 O ATOM 1033 CB ALA A 70 7.301 -8.279 -3.337 1.00 0.00 C ATOM 0 H ALA A 70 7.644 -10.802 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 70 9.417 -8.446 -3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.294 -7.253 -2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.303 -8.273 -4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.413 -8.800 -2.978 1.00 0.00 H new ATOM 1039 N GLN A 71 9.196 -7.930 -0.764 1.00 0.00 N ATOM 1040 CA GLN A 71 9.343 -7.803 0.676 1.00 0.00 C ATOM 1041 C GLN A 71 8.477 -6.656 1.199 1.00 0.00 C ATOM 1042 O GLN A 71 8.416 -5.591 0.587 1.00 0.00 O ATOM 1043 CB GLN A 71 10.810 -7.603 1.062 1.00 0.00 C ATOM 1044 CG GLN A 71 11.559 -8.937 1.080 1.00 0.00 C ATOM 1045 CD GLN A 71 12.054 -9.270 2.489 1.00 0.00 C ATOM 1046 OE1 GLN A 71 11.377 -9.052 3.480 1.00 0.00 O ATOM 1047 NE2 GLN A 71 13.270 -9.808 2.522 1.00 0.00 N ATOM 0 H GLN A 71 9.551 -7.138 -1.300 1.00 0.00 H new ATOM 0 HA GLN A 71 9.003 -8.729 1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.286 -6.924 0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.871 -7.134 2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.903 -9.731 0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.405 -8.892 0.395 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.783 -9.964 1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.690 -10.065 3.415 1.00 0.00 H new ATOM 1056 N GLY A 72 7.829 -6.911 2.326 1.00 0.00 N ATOM 1057 CA GLY A 72 6.969 -5.913 2.939 1.00 0.00 C ATOM 1058 C GLY A 72 7.385 -5.645 4.387 1.00 0.00 C ATOM 1059 O GLY A 72 7.335 -6.543 5.226 1.00 0.00 O ATOM 0 H GLY A 72 7.882 -7.795 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.015 -4.987 2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.934 -6.253 2.911 1.00 0.00 H new ATOM 1063 N SER A 73 7.785 -4.407 4.635 1.00 0.00 N ATOM 1064 CA SER A 73 8.209 -4.010 5.967 1.00 0.00 C ATOM 1065 C SER A 73 7.641 -2.631 6.307 1.00 0.00 C ATOM 1066 O SER A 73 7.237 -1.885 5.416 1.00 0.00 O ATOM 1067 CB SER A 73 9.735 -3.999 6.079 1.00 0.00 C ATOM 1068 OG SER A 73 10.295 -5.293 5.874 1.00 0.00 O ATOM 0 H SER A 73 7.825 -3.665 3.936 1.00 0.00 H new ATOM 0 HA SER A 73 7.825 -4.740 6.680 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.147 -3.305 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.024 -3.631 7.064 1.00 0.00 H new ATOM 0 HG SER A 73 11.271 -5.243 5.952 1.00 0.00 H new ATOM 1074 N VAL A 74 7.629 -2.333 7.598 1.00 0.00 N ATOM 1075 CA VAL A 74 7.118 -1.056 8.067 1.00 0.00 C ATOM 1076 C VAL A 74 8.210 0.007 7.929 1.00 0.00 C ATOM 1077 O VAL A 74 9.384 -0.321 7.765 1.00 0.00 O ATOM 1078 CB VAL A 74 6.597 -1.195 9.499 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.037 -2.598 9.744 1.00 0.00 C ATOM 1080 CG2 VAL A 74 7.689 -0.855 10.515 1.00 0.00 C ATOM 0 H VAL A 74 7.965 -2.954 8.334 1.00 0.00 H new ATOM 0 HA VAL A 74 6.273 -0.736 7.457 1.00 0.00 H new ATOM 0 HB VAL A 74 5.784 -0.482 9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.673 -2.671 10.769 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.216 -2.788 9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.823 -3.336 9.585 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.293 -0.962 11.525 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.533 -1.533 10.383 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.021 0.172 10.362 1.00 0.00 H new ATOM 1090 N ALA A 75 7.783 1.260 8.000 1.00 0.00 N ATOM 1091 CA ALA A 75 8.710 2.373 7.884 1.00 0.00 C ATOM 1092 C ALA A 75 8.460 3.359 9.027 1.00 0.00 C ATOM 1093 O ALA A 75 8.136 4.522 8.789 1.00 0.00 O ATOM 1094 CB ALA A 75 8.557 3.024 6.508 1.00 0.00 C ATOM 0 H ALA A 75 6.808 1.528 8.136 1.00 0.00 H new ATOM 0 HA ALA A 75 9.740 2.026 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.252 3.859 6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.773 2.290 5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.536 3.388 6.389 1.00 0.00 H new ATOM 1100 N PHE A 76 8.620 2.859 10.244 1.00 0.00 N ATOM 1101 CA PHE A 76 8.415 3.681 11.424 1.00 0.00 C ATOM 1102 C PHE A 76 9.287 4.937 11.374 1.00 0.00 C ATOM 1103 O PHE A 76 8.827 6.029 11.705 1.00 0.00 O ATOM 1104 CB PHE A 76 8.825 2.838 12.633 1.00 0.00 C ATOM 1105 CG PHE A 76 7.787 1.791 13.043 1.00 0.00 C ATOM 1106 CD1 PHE A 76 6.463 2.105 13.028 1.00 0.00 C ATOM 1107 CD2 PHE A 76 8.187 0.548 13.422 1.00 0.00 C ATOM 1108 CE1 PHE A 76 5.500 1.134 13.409 1.00 0.00 C ATOM 1109 CE2 PHE A 76 7.223 -0.423 13.802 1.00 0.00 C ATOM 1110 CZ PHE A 76 5.900 -0.109 13.788 1.00 0.00 C ATOM 0 H PHE A 76 8.889 1.894 10.438 1.00 0.00 H new ATOM 0 HA PHE A 76 7.373 3.996 11.482 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.765 2.334 12.409 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.011 3.500 13.478 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.145 3.092 12.726 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.238 0.299 13.434 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.449 1.383 13.398 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.541 -1.411 14.102 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.167 -0.847 14.078 1.00 0.00 H new ATOM 1120 N ASP A 77 10.530 4.741 10.959 1.00 0.00 N ATOM 1121 CA ASP A 77 11.470 5.844 10.862 1.00 0.00 C ATOM 1122 C ASP A 77 10.752 7.072 10.297 1.00 0.00 C ATOM 1123 O ASP A 77 10.854 8.165 10.852 1.00 0.00 O ATOM 1124 CB ASP A 77 12.628 5.500 9.923 1.00 0.00 C ATOM 1125 CG ASP A 77 14.006 5.453 10.587 1.00 0.00 C ATOM 1126 OD1 ASP A 77 14.359 6.462 11.235 1.00 0.00 O ATOM 1127 OD2 ASP A 77 14.676 4.409 10.431 1.00 0.00 O ATOM 0 H ASP A 77 10.908 3.834 10.686 1.00 0.00 H new ATOM 0 HA ASP A 77 11.861 6.042 11.860 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.429 4.531 9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.654 6.234 9.118 1.00 0.00 H new ATOM 1132 N TYR A 78 10.043 6.850 9.200 1.00 0.00 N ATOM 1133 CA TYR A 78 9.308 7.924 8.554 1.00 0.00 C ATOM 1134 C TYR A 78 8.613 8.812 9.588 1.00 0.00 C ATOM 1135 O TYR A 78 7.575 8.441 10.133 1.00 0.00 O ATOM 1136 CB TYR A 78 8.247 7.247 7.685 1.00 0.00 C ATOM 1137 CG TYR A 78 7.557 8.189 6.697 1.00 0.00 C ATOM 1138 CD1 TYR A 78 7.962 9.505 6.601 1.00 0.00 C ATOM 1139 CD2 TYR A 78 6.529 7.724 5.902 1.00 0.00 C ATOM 1140 CE1 TYR A 78 7.312 10.392 5.671 1.00 0.00 C ATOM 1141 CE2 TYR A 78 5.880 8.611 4.972 1.00 0.00 C ATOM 1142 CZ TYR A 78 6.303 9.902 4.903 1.00 0.00 C ATOM 1143 OH TYR A 78 5.690 10.740 4.025 1.00 0.00 O ATOM 0 H TYR A 78 9.962 5.942 8.742 1.00 0.00 H new ATOM 0 HA TYR A 78 9.982 8.555 7.974 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.713 6.433 7.130 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.492 6.801 8.333 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.766 9.869 7.223 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.211 6.695 5.978 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.619 11.424 5.586 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.075 8.259 4.343 1.00 0.00 H new ATOM 0 HH TYR A 78 5.881 10.450 3.108 1.00 0.00 H new ATOM 1153 N ARG A 79 9.213 9.969 9.827 1.00 0.00 N ATOM 1154 CA ARG A 79 8.664 10.913 10.785 1.00 0.00 C ATOM 1155 C ARG A 79 7.810 11.960 10.069 1.00 0.00 C ATOM 1156 O ARG A 79 8.266 13.075 9.821 1.00 0.00 O ATOM 1157 CB ARG A 79 9.778 11.618 11.563 1.00 0.00 C ATOM 1158 CG ARG A 79 10.014 10.943 12.916 1.00 0.00 C ATOM 1159 CD ARG A 79 11.508 10.726 13.166 1.00 0.00 C ATOM 1160 NE ARG A 79 11.760 9.313 13.528 1.00 0.00 N ATOM 1161 CZ ARG A 79 11.371 8.752 14.681 1.00 0.00 C ATOM 1162 NH1 ARG A 79 10.710 9.480 15.591 1.00 0.00 N ATOM 1163 NH2 ARG A 79 11.643 7.463 14.924 1.00 0.00 N ATOM 0 H ARG A 79 10.074 10.274 9.373 1.00 0.00 H new ATOM 0 HA ARG A 79 8.045 10.353 11.486 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.699 11.604 10.980 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.514 12.664 11.716 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.594 11.558 13.712 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.494 9.986 12.945 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.076 10.988 12.274 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.850 11.382 13.966 1.00 0.00 H new ATOM 0 HE ARG A 79 12.261 8.730 12.858 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.503 10.461 15.406 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.414 9.053 16.469 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.146 6.909 14.231 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.347 7.036 15.802 1.00 0.00 H new ATOM 1177 N LYS A 80 6.584 11.565 9.758 1.00 0.00 N ATOM 1178 CA LYS A 80 5.661 12.456 9.075 1.00 0.00 C ATOM 1179 C LYS A 80 4.276 11.808 9.027 1.00 0.00 C ATOM 1180 O LYS A 80 3.320 12.335 9.595 1.00 0.00 O ATOM 1181 CB LYS A 80 6.208 12.842 7.700 1.00 0.00 C ATOM 1182 CG LYS A 80 7.009 14.143 7.774 1.00 0.00 C ATOM 1183 CD LYS A 80 6.650 15.076 6.615 1.00 0.00 C ATOM 1184 CE LYS A 80 6.030 16.376 7.131 1.00 0.00 C ATOM 1185 NZ LYS A 80 6.570 17.537 6.388 1.00 0.00 N ATOM 0 H LYS A 80 6.208 10.640 9.966 1.00 0.00 H new ATOM 0 HA LYS A 80 5.557 13.392 9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.842 12.041 7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.384 12.958 6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.811 14.643 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.076 13.919 7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.544 15.301 6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.951 14.576 5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.946 16.338 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.239 16.488 8.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.139 18.412 6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.601 17.581 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.349 17.435 5.377 1.00 0.00 H new ATOM 1199 N ARG A 81 4.211 10.675 8.343 1.00 0.00 N ATOM 1200 CA ARG A 81 2.958 9.950 8.213 1.00 0.00 C ATOM 1201 C ARG A 81 2.903 8.801 9.222 1.00 0.00 C ATOM 1202 O ARG A 81 3.861 8.041 9.356 1.00 0.00 O ATOM 1203 CB ARG A 81 2.792 9.387 6.800 1.00 0.00 C ATOM 1204 CG ARG A 81 2.221 10.445 5.853 1.00 0.00 C ATOM 1205 CD ARG A 81 2.480 10.069 4.392 1.00 0.00 C ATOM 1206 NE ARG A 81 1.469 10.707 3.519 1.00 0.00 N ATOM 1207 CZ ARG A 81 1.473 12.006 3.191 1.00 0.00 C ATOM 1208 NH1 ARG A 81 2.433 12.813 3.661 1.00 0.00 N ATOM 1209 NH2 ARG A 81 0.516 12.498 2.392 1.00 0.00 N ATOM 0 H ARG A 81 5.006 10.241 7.873 1.00 0.00 H new ATOM 0 HA ARG A 81 2.147 10.651 8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.756 9.041 6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.131 8.521 6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.149 10.549 6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.673 11.413 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.480 10.388 4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.443 8.986 4.274 1.00 0.00 H new ATOM 0 HE ARG A 81 0.723 10.121 3.144 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.162 12.439 4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.436 13.802 3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.215 11.884 2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.519 13.487 2.142 1.00 0.00 H new ATOM 1223 N LYS A 82 1.772 8.710 9.906 1.00 0.00 N ATOM 1224 CA LYS A 82 1.579 7.666 10.898 1.00 0.00 C ATOM 1225 C LYS A 82 1.162 6.372 10.197 1.00 0.00 C ATOM 1226 O LYS A 82 0.559 6.409 9.125 1.00 0.00 O ATOM 1227 CB LYS A 82 0.594 8.127 11.975 1.00 0.00 C ATOM 1228 CG LYS A 82 1.230 9.180 12.884 1.00 0.00 C ATOM 1229 CD LYS A 82 0.175 9.851 13.767 1.00 0.00 C ATOM 1230 CE LYS A 82 0.832 10.693 14.863 1.00 0.00 C ATOM 1231 NZ LYS A 82 -0.179 11.143 15.846 1.00 0.00 N ATOM 0 H LYS A 82 0.980 9.342 9.793 1.00 0.00 H new ATOM 0 HA LYS A 82 2.513 7.459 11.420 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.299 8.539 11.504 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.275 7.272 12.571 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.990 8.714 13.510 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.734 9.933 12.278 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.468 10.483 13.155 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.462 9.091 14.220 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.602 10.109 15.366 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.326 11.557 14.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.283 11.713 16.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.900 11.718 15.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.632 10.315 16.282 1.00 0.00 H new ATOM 1245 N HIS A 83 1.500 5.258 10.829 1.00 0.00 N ATOM 1246 CA HIS A 83 1.169 3.955 10.279 1.00 0.00 C ATOM 1247 C HIS A 83 1.575 3.901 8.806 1.00 0.00 C ATOM 1248 O HIS A 83 0.721 3.936 7.921 1.00 0.00 O ATOM 1249 CB HIS A 83 -0.311 3.633 10.499 1.00 0.00 C ATOM 1250 CG HIS A 83 -1.099 4.760 11.123 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -1.200 4.936 12.492 1.00 0.00 N ATOM 1252 CD2 HIS A 83 -1.821 5.767 10.551 1.00 0.00 C ATOM 1253 CE1 HIS A 83 -1.951 6.003 12.722 1.00 0.00 C ATOM 1254 NE2 HIS A 83 -2.336 6.516 11.518 1.00 0.00 N ATOM 0 H HIS A 83 2.000 5.231 11.718 1.00 0.00 H new ATOM 0 HA HIS A 83 1.731 3.182 10.803 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.762 3.375 9.541 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.390 2.752 11.136 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.951 5.927 9.491 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.213 6.398 13.693 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.923 7.339 11.383 1.00 0.00 H new ATOM 1262 N VAL A 84 2.879 3.818 8.587 1.00 0.00 N ATOM 1263 CA VAL A 84 3.409 3.759 7.235 1.00 0.00 C ATOM 1264 C VAL A 84 4.408 2.605 7.134 1.00 0.00 C ATOM 1265 O VAL A 84 5.154 2.340 8.075 1.00 0.00 O ATOM 1266 CB VAL A 84 4.016 5.111 6.852 1.00 0.00 C ATOM 1267 CG1 VAL A 84 4.495 5.104 5.399 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.022 6.247 7.097 1.00 0.00 C ATOM 0 H VAL A 84 3.584 3.790 9.323 1.00 0.00 H new ATOM 0 HA VAL A 84 2.611 3.562 6.519 1.00 0.00 H new ATOM 0 HB VAL A 84 4.883 5.282 7.490 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.922 6.076 5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.253 4.331 5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.652 4.900 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.478 7.196 6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.127 6.083 6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.751 6.272 8.153 1.00 0.00 H new ATOM 1278 N PHE A 85 4.391 1.949 5.983 1.00 0.00 N ATOM 1279 CA PHE A 85 5.286 0.829 5.745 1.00 0.00 C ATOM 1280 C PHE A 85 5.842 0.864 4.321 1.00 0.00 C ATOM 1281 O PHE A 85 5.168 1.320 3.398 1.00 0.00 O ATOM 1282 CB PHE A 85 4.462 -0.447 5.928 1.00 0.00 C ATOM 1283 CG PHE A 85 3.217 -0.517 5.042 1.00 0.00 C ATOM 1284 CD1 PHE A 85 2.127 0.241 5.340 1.00 0.00 C ATOM 1285 CD2 PHE A 85 3.199 -1.335 3.956 1.00 0.00 C ATOM 1286 CE1 PHE A 85 0.971 0.177 4.518 1.00 0.00 C ATOM 1287 CE2 PHE A 85 2.043 -1.399 3.134 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.954 -0.642 3.432 1.00 0.00 C ATOM 0 H PHE A 85 3.771 2.172 5.204 1.00 0.00 H new ATOM 0 HA PHE A 85 6.129 0.872 6.435 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.095 -1.309 5.716 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.157 -0.524 6.972 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.141 0.892 6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.064 -1.936 3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.106 0.778 4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.029 -2.049 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.075 -0.691 2.806 1.00 0.00 H new ATOM 1298 N LYS A 86 7.066 0.376 4.186 1.00 0.00 N ATOM 1299 CA LYS A 86 7.721 0.345 2.889 1.00 0.00 C ATOM 1300 C LYS A 86 7.515 -1.030 2.251 1.00 0.00 C ATOM 1301 O LYS A 86 7.476 -2.042 2.948 1.00 0.00 O ATOM 1302 CB LYS A 86 9.191 0.748 3.021 1.00 0.00 C ATOM 1303 CG LYS A 86 9.849 0.881 1.646 1.00 0.00 C ATOM 1304 CD LYS A 86 11.307 1.327 1.777 1.00 0.00 C ATOM 1305 CE LYS A 86 11.399 2.836 2.013 1.00 0.00 C ATOM 1306 NZ LYS A 86 12.699 3.357 1.536 1.00 0.00 N ATOM 0 H LYS A 86 7.622 -0.001 4.954 1.00 0.00 H new ATOM 0 HA LYS A 86 7.273 1.078 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.266 1.694 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.724 0.004 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.803 -0.074 1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.297 1.602 1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.781 0.796 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.855 1.063 0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.585 3.342 1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.282 3.052 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.745 4.382 1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.471 2.887 2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.796 3.168 0.518 1.00 0.00 H new ATOM 1320 N LEU A 87 7.389 -1.022 0.932 1.00 0.00 N ATOM 1321 CA LEU A 87 7.189 -2.257 0.192 1.00 0.00 C ATOM 1322 C LEU A 87 8.173 -2.311 -0.978 1.00 0.00 C ATOM 1323 O LEU A 87 7.989 -1.623 -1.981 1.00 0.00 O ATOM 1324 CB LEU A 87 5.725 -2.397 -0.229 1.00 0.00 C ATOM 1325 CG LEU A 87 5.406 -3.561 -1.170 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.526 -4.902 -0.444 1.00 0.00 C ATOM 1327 CD2 LEU A 87 4.032 -3.381 -1.819 1.00 0.00 C ATOM 0 H LEU A 87 7.421 -0.180 0.357 1.00 0.00 H new ATOM 0 HA LEU A 87 7.399 -3.119 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.118 -2.505 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.416 -1.470 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 87 6.143 -3.563 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.294 -5.712 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.543 -5.024 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.827 -4.927 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.830 -4.222 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.266 -3.338 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.019 -2.454 -2.393 1.00 0.00 H new ATOM 1339 N GLY A 88 9.197 -3.135 -0.810 1.00 0.00 N ATOM 1340 CA GLY A 88 10.211 -3.287 -1.840 1.00 0.00 C ATOM 1341 C GLY A 88 9.959 -4.544 -2.675 1.00 0.00 C ATOM 1342 O GLY A 88 10.039 -5.660 -2.164 1.00 0.00 O ATOM 0 H GLY A 88 9.346 -3.704 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.212 -2.410 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.197 -3.344 -1.379 1.00 0.00 H new ATOM 1346 N LEU A 89 9.660 -4.321 -3.946 1.00 0.00 N ATOM 1347 CA LEU A 89 9.396 -5.422 -4.857 1.00 0.00 C ATOM 1348 C LEU A 89 10.707 -6.147 -5.168 1.00 0.00 C ATOM 1349 O LEU A 89 11.762 -5.776 -4.656 1.00 0.00 O ATOM 1350 CB LEU A 89 8.660 -4.922 -6.102 1.00 0.00 C ATOM 1351 CG LEU A 89 7.350 -4.172 -5.851 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.410 -4.292 -7.052 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.688 -4.643 -4.555 1.00 0.00 C ATOM 0 H LEU A 89 9.595 -3.394 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 89 8.731 -6.150 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.330 -4.266 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.448 -5.778 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 89 7.581 -3.114 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.487 -3.750 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.891 -3.869 -7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.182 -5.343 -7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.759 -4.094 -4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.472 -5.709 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.360 -4.462 -3.716 1.00 0.00 H new ATOM 1365 N GLN A 90 10.597 -7.168 -6.005 1.00 0.00 N ATOM 1366 CA GLN A 90 11.761 -7.949 -6.390 1.00 0.00 C ATOM 1367 C GLN A 90 12.429 -7.333 -7.621 1.00 0.00 C ATOM 1368 O GLN A 90 13.433 -7.850 -8.110 1.00 0.00 O ATOM 1369 CB GLN A 90 11.382 -9.409 -6.644 1.00 0.00 C ATOM 1370 CG GLN A 90 10.283 -9.514 -7.703 1.00 0.00 C ATOM 1371 CD GLN A 90 10.428 -10.801 -8.518 1.00 0.00 C ATOM 1372 OE1 GLN A 90 11.431 -11.494 -8.459 1.00 0.00 O ATOM 1373 NE2 GLN A 90 9.374 -11.082 -9.278 1.00 0.00 N ATOM 0 H GLN A 90 9.720 -7.473 -6.427 1.00 0.00 H new ATOM 0 HA GLN A 90 12.475 -7.932 -5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.261 -9.965 -6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.042 -9.867 -5.715 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.306 -9.493 -7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.330 -8.651 -8.368 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.566 -10.459 -9.280 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.373 -11.921 -9.859 1.00 0.00 H new ATOM 1382 N ASP A 91 11.846 -6.239 -8.087 1.00 0.00 N ATOM 1383 CA ASP A 91 12.372 -5.548 -9.251 1.00 0.00 C ATOM 1384 C ASP A 91 12.991 -4.219 -8.814 1.00 0.00 C ATOM 1385 O ASP A 91 13.169 -3.315 -9.629 1.00 0.00 O ATOM 1386 CB ASP A 91 11.262 -5.243 -10.259 1.00 0.00 C ATOM 1387 CG ASP A 91 11.035 -6.324 -11.318 1.00 0.00 C ATOM 1388 OD1 ASP A 91 11.819 -7.298 -11.312 1.00 0.00 O ATOM 1389 OD2 ASP A 91 10.083 -6.153 -12.109 1.00 0.00 O ATOM 0 H ASP A 91 11.014 -5.814 -7.679 1.00 0.00 H new ATOM 0 HA ASP A 91 13.116 -6.193 -9.718 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.330 -5.087 -9.715 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.497 -4.306 -10.763 1.00 0.00 H new ATOM 1394 N GLY A 92 13.303 -4.143 -7.528 1.00 0.00 N ATOM 1395 CA GLY A 92 13.899 -2.940 -6.973 1.00 0.00 C ATOM 1396 C GLY A 92 12.890 -1.790 -6.947 1.00 0.00 C ATOM 1397 O GLY A 92 13.272 -0.623 -7.015 1.00 0.00 O ATOM 0 H GLY A 92 13.154 -4.895 -6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.255 -3.139 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.767 -2.653 -7.566 1.00 0.00 H new ATOM 1401 N LYS A 93 11.622 -2.160 -6.847 1.00 0.00 N ATOM 1402 CA LYS A 93 10.555 -1.175 -6.811 1.00 0.00 C ATOM 1403 C LYS A 93 10.089 -0.987 -5.366 1.00 0.00 C ATOM 1404 O LYS A 93 9.365 -1.824 -4.829 1.00 0.00 O ATOM 1405 CB LYS A 93 9.431 -1.565 -7.773 1.00 0.00 C ATOM 1406 CG LYS A 93 9.072 -0.401 -8.698 1.00 0.00 C ATOM 1407 CD LYS A 93 7.854 -0.741 -9.560 1.00 0.00 C ATOM 1408 CE LYS A 93 8.278 -1.155 -10.970 1.00 0.00 C ATOM 1409 NZ LYS A 93 8.044 -0.050 -11.927 1.00 0.00 N ATOM 0 H LYS A 93 11.309 -3.129 -6.790 1.00 0.00 H new ATOM 0 HA LYS A 93 10.919 -0.208 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.739 -2.425 -8.368 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.551 -1.868 -7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.865 0.489 -8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.922 -0.166 -9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.289 -1.549 -9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.191 0.122 -9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.333 -1.429 -10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.718 -2.037 -11.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.337 -0.348 -12.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.033 0.193 -11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.597 0.782 -11.639 1.00 0.00 H new ATOM 1423 N GLU A 94 10.523 0.118 -4.777 1.00 0.00 N ATOM 1424 CA GLU A 94 10.159 0.427 -3.405 1.00 0.00 C ATOM 1425 C GLU A 94 8.991 1.415 -3.374 1.00 0.00 C ATOM 1426 O GLU A 94 9.043 2.462 -4.017 1.00 0.00 O ATOM 1427 CB GLU A 94 11.360 0.973 -2.629 1.00 0.00 C ATOM 1428 CG GLU A 94 12.089 -0.148 -1.886 1.00 0.00 C ATOM 1429 CD GLU A 94 13.582 0.158 -1.759 1.00 0.00 C ATOM 1430 OE1 GLU A 94 14.142 0.671 -2.752 1.00 0.00 O ATOM 1431 OE2 GLU A 94 14.130 -0.128 -0.673 1.00 0.00 O ATOM 0 H GLU A 94 11.123 0.810 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 94 9.842 -0.495 -2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.048 1.466 -3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.025 1.728 -1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.655 -0.274 -0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.951 -1.090 -2.417 1.00 0.00 H new ATOM 1438 N TYR A 95 7.966 1.046 -2.621 1.00 0.00 N ATOM 1439 CA TYR A 95 6.787 1.886 -2.499 1.00 0.00 C ATOM 1440 C TYR A 95 6.548 2.287 -1.041 1.00 0.00 C ATOM 1441 O TYR A 95 7.095 1.672 -0.127 1.00 0.00 O ATOM 1442 CB TYR A 95 5.610 1.036 -2.981 1.00 0.00 C ATOM 1443 CG TYR A 95 5.523 0.899 -4.502 1.00 0.00 C ATOM 1444 CD1 TYR A 95 5.020 1.936 -5.261 1.00 0.00 C ATOM 1445 CD2 TYR A 95 5.948 -0.262 -5.116 1.00 0.00 C ATOM 1446 CE1 TYR A 95 4.939 1.807 -6.693 1.00 0.00 C ATOM 1447 CE2 TYR A 95 5.866 -0.391 -6.548 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.366 0.650 -7.265 1.00 0.00 C ATOM 1449 OH TYR A 95 5.289 0.529 -8.618 1.00 0.00 O ATOM 0 H TYR A 95 7.927 0.177 -2.089 1.00 0.00 H new ATOM 0 HA TYR A 95 6.907 2.801 -3.080 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.689 0.042 -2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.683 1.475 -2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.687 2.844 -4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.342 -1.074 -4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.548 2.611 -7.299 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.194 -1.294 -7.041 1.00 0.00 H new ATOM 0 HH TYR A 95 5.384 1.412 -9.031 1.00 0.00 H new ATOM 1459 N LEU A 96 5.730 3.315 -0.870 1.00 0.00 N ATOM 1460 CA LEU A 96 5.412 3.804 0.460 1.00 0.00 C ATOM 1461 C LEU A 96 3.895 3.949 0.597 1.00 0.00 C ATOM 1462 O LEU A 96 3.272 4.713 -0.139 1.00 0.00 O ATOM 1463 CB LEU A 96 6.181 5.094 0.755 1.00 0.00 C ATOM 1464 CG LEU A 96 7.617 4.919 1.253 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.270 6.274 1.532 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.666 3.998 2.474 1.00 0.00 C ATOM 0 H LEU A 96 5.278 3.823 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 96 5.734 3.087 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.203 5.696 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.625 5.662 1.501 1.00 0.00 H new ATOM 0 HG LEU A 96 8.195 4.439 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.290 6.121 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.288 6.865 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.698 6.803 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.698 3.891 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.068 4.427 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.267 3.019 2.208 1.00 0.00 H new ATOM 1478 N PHE A 97 3.344 3.203 1.544 1.00 0.00 N ATOM 1479 CA PHE A 97 1.912 3.238 1.786 1.00 0.00 C ATOM 1480 C PHE A 97 1.610 3.660 3.225 1.00 0.00 C ATOM 1481 O PHE A 97 2.207 3.142 4.167 1.00 0.00 O ATOM 1482 CB PHE A 97 1.385 1.819 1.562 1.00 0.00 C ATOM 1483 CG PHE A 97 1.578 1.302 0.135 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.706 1.667 -0.844 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.620 0.479 -0.155 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.885 1.187 -2.168 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.799 -0.001 -1.480 1.00 0.00 C ATOM 1488 CZ PHE A 97 1.927 0.363 -2.458 1.00 0.00 C ATOM 0 H PHE A 97 3.864 2.571 2.153 1.00 0.00 H new ATOM 0 HA PHE A 97 1.439 3.957 1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.887 1.143 2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.323 1.794 1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.122 2.321 -0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.312 0.190 0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.193 1.476 -2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.627 -0.655 -1.711 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.062 -0.002 -3.465 1.00 0.00 H new ATOM 1498 N GLN A 98 0.682 4.598 3.350 1.00 0.00 N ATOM 1499 CA GLN A 98 0.293 5.096 4.659 1.00 0.00 C ATOM 1500 C GLN A 98 -1.114 4.612 5.014 1.00 0.00 C ATOM 1501 O GLN A 98 -2.098 5.074 4.438 1.00 0.00 O ATOM 1502 CB GLN A 98 0.377 6.623 4.712 1.00 0.00 C ATOM 1503 CG GLN A 98 -0.139 7.154 6.051 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.343 8.670 5.997 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -0.444 9.271 4.941 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.396 9.251 7.192 1.00 0.00 N ATOM 0 H GLN A 98 0.188 5.026 2.567 1.00 0.00 H new ATOM 0 HA GLN A 98 0.990 4.701 5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.410 6.939 4.565 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.207 7.051 3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.081 6.665 6.302 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.569 6.907 6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.304 8.688 8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.528 10.260 7.263 1.00 0.00 H new ATOM 1515 N ALA A 99 -1.166 3.687 5.962 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.436 3.135 6.400 1.00 0.00 C ATOM 1517 C ALA A 99 -3.199 4.195 7.197 1.00 0.00 C ATOM 1518 O ALA A 99 -2.675 5.275 7.462 1.00 0.00 O ATOM 1519 CB ALA A 99 -2.187 1.862 7.213 1.00 0.00 C ATOM 0 H ALA A 99 -0.348 3.306 6.439 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.051 2.859 5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.140 1.448 7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.668 1.131 6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.575 2.100 8.083 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.426 3.848 7.557 1.00 0.00 N ATOM 1526 CA LYS A 100 -5.267 4.756 8.319 1.00 0.00 C ATOM 1527 C LYS A 100 -4.809 4.767 9.778 1.00 0.00 C ATOM 1528 O LYS A 100 -4.841 5.806 10.435 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.744 4.396 8.140 1.00 0.00 C ATOM 1530 CG LYS A 100 -7.205 3.420 9.225 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.684 3.069 9.053 1.00 0.00 C ATOM 1532 CE LYS A 100 -9.049 1.822 9.862 1.00 0.00 C ATOM 1533 NZ LYS A 100 -10.326 1.248 9.381 1.00 0.00 N ATOM 0 H LYS A 100 -4.858 2.951 7.335 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.163 5.775 7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.350 5.301 8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.897 3.951 7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.604 2.512 9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.044 3.861 10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.300 3.909 9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.901 2.899 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.255 1.080 9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.133 2.078 10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.559 0.403 9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.084 1.952 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.233 0.985 8.379 1.00 0.00 H new ATOM 1547 N ASP A 101 -4.393 3.598 10.243 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.928 3.459 11.612 1.00 0.00 C ATOM 1549 C ASP A 101 -2.958 2.279 11.701 1.00 0.00 C ATOM 1550 O ASP A 101 -2.666 1.635 10.694 1.00 0.00 O ATOM 1551 CB ASP A 101 -5.094 3.185 12.564 1.00 0.00 C ATOM 1552 CG ASP A 101 -6.111 4.321 12.685 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.676 5.436 13.046 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -7.301 4.050 12.414 1.00 0.00 O ATOM 0 H ASP A 101 -4.368 2.738 9.695 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.439 4.390 11.898 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.613 2.287 12.229 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.692 2.970 13.554 1.00 0.00 H new ATOM 1559 N GLU A 102 -2.487 2.031 12.914 1.00 0.00 N ATOM 1560 CA GLU A 102 -1.556 0.940 13.146 1.00 0.00 C ATOM 1561 C GLU A 102 -2.167 -0.386 12.689 1.00 0.00 C ATOM 1562 O GLU A 102 -1.502 -1.188 12.036 1.00 0.00 O ATOM 1563 CB GLU A 102 -1.144 0.875 14.618 1.00 0.00 C ATOM 1564 CG GLU A 102 -0.129 1.970 14.952 1.00 0.00 C ATOM 1565 CD GLU A 102 -0.130 2.280 16.451 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -0.078 1.306 17.232 1.00 0.00 O ATOM 1567 OE2 GLU A 102 -0.183 3.485 16.780 1.00 0.00 O ATOM 0 H GLU A 102 -2.733 2.567 13.747 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.657 1.125 12.558 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.025 0.985 15.251 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.715 -0.103 14.836 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.867 1.654 14.643 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.365 2.874 14.390 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.428 -0.575 13.050 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.137 -1.790 12.685 1.00 0.00 C ATOM 1576 C ALA A 103 -4.117 -1.949 11.163 1.00 0.00 C ATOM 1577 O ALA A 103 -3.478 -2.860 10.639 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.559 -1.740 13.248 1.00 0.00 C ATOM 0 H ALA A 103 -3.977 0.093 13.591 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.647 -2.664 13.114 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.091 -2.651 12.974 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.518 -1.656 14.334 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.083 -0.877 12.837 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.824 -1.048 10.497 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.896 -1.077 9.046 1.00 0.00 C ATOM 1586 C GLU A 104 -3.539 -1.465 8.455 1.00 0.00 C ATOM 1587 O GLU A 104 -3.465 -2.312 7.566 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.370 0.268 8.494 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.541 0.208 6.974 1.00 0.00 C ATOM 1590 CD GLU A 104 -7.017 0.310 6.584 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.716 -0.715 6.733 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -7.413 1.412 6.145 1.00 0.00 O ATOM 0 H GLU A 104 -5.352 -0.293 10.935 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.627 -1.831 8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.317 0.543 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.650 1.045 8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.981 1.020 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.124 -0.725 6.594 1.00 0.00 H new ATOM 1599 N MET A 105 -2.500 -0.827 8.973 1.00 0.00 N ATOM 1600 CA MET A 105 -1.150 -1.095 8.507 1.00 0.00 C ATOM 1601 C MET A 105 -0.775 -2.562 8.727 1.00 0.00 C ATOM 1602 O MET A 105 -0.680 -3.332 7.773 1.00 0.00 O ATOM 1603 CB MET A 105 -0.164 -0.198 9.258 1.00 0.00 C ATOM 1604 CG MET A 105 1.256 -0.367 8.712 1.00 0.00 C ATOM 1605 SD MET A 105 1.961 -1.893 9.310 1.00 0.00 S ATOM 1606 CE MET A 105 3.134 -1.251 10.493 1.00 0.00 C ATOM 0 H MET A 105 -2.566 -0.125 9.711 1.00 0.00 H new ATOM 0 HA MET A 105 -1.106 -0.885 7.438 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.471 0.844 9.166 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.181 -0.442 10.320 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.238 -0.367 7.622 1.00 0.00 H new ATOM 0 HG3 MET A 105 1.876 0.475 9.020 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.602 -2.078 11.027 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.899 -0.676 9.971 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.618 -0.606 11.204 1.00 0.00 H new ATOM 1616 N SER A 106 -0.572 -2.904 9.991 1.00 0.00 N ATOM 1617 CA SER A 106 -0.210 -4.265 10.348 1.00 0.00 C ATOM 1618 C SER A 106 -0.912 -5.256 9.418 1.00 0.00 C ATOM 1619 O SER A 106 -0.273 -6.140 8.850 1.00 0.00 O ATOM 1620 CB SER A 106 -0.564 -4.565 11.807 1.00 0.00 C ATOM 1621 OG SER A 106 0.598 -4.714 12.618 1.00 0.00 O ATOM 0 H SER A 106 -0.651 -2.262 10.780 1.00 0.00 H new ATOM 0 HA SER A 106 0.869 -4.372 10.234 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.182 -3.759 12.203 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.159 -5.477 11.856 1.00 0.00 H new ATOM 0 HG SER A 106 0.330 -4.903 13.542 1.00 0.00 H new ATOM 1627 N SER A 107 -2.218 -5.073 9.289 1.00 0.00 N ATOM 1628 CA SER A 107 -3.015 -5.940 8.437 1.00 0.00 C ATOM 1629 C SER A 107 -2.424 -5.973 7.026 1.00 0.00 C ATOM 1630 O SER A 107 -2.181 -7.045 6.475 1.00 0.00 O ATOM 1631 CB SER A 107 -4.473 -5.479 8.391 1.00 0.00 C ATOM 1632 OG SER A 107 -5.357 -6.450 8.943 1.00 0.00 O ATOM 0 H SER A 107 -2.744 -4.337 9.760 1.00 0.00 H new ATOM 0 HA SER A 107 -2.994 -6.946 8.857 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.575 -4.543 8.940 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.757 -5.276 7.358 1.00 0.00 H new ATOM 0 HG SER A 107 -6.278 -6.118 8.897 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.209 -4.784 6.481 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.651 -4.663 5.145 1.00 0.00 C ATOM 1640 C TRP A 108 -0.384 -5.519 5.083 1.00 0.00 C ATOM 1641 O TRP A 108 -0.232 -6.344 4.183 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.400 -3.197 4.786 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.561 -2.531 4.045 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.315 -1.500 4.450 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -3.072 -2.893 2.745 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.271 -1.172 3.511 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -4.119 -2.047 2.441 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.664 -3.903 1.856 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.844 -2.123 1.246 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.399 -3.966 0.666 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.455 -3.122 0.345 1.00 0.00 C ATOM 0 H TRP A 108 -2.411 -3.896 6.941 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.356 -5.029 4.398 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.198 -2.639 5.700 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.504 -3.133 4.169 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -3.190 -0.990 5.394 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.962 -0.425 3.587 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.848 -4.577 2.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.659 -1.448 1.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.126 -4.724 -0.053 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.974 -3.236 -0.595 1.00 0.00 H new ATOM 1662 N LEU A 109 0.493 -5.292 6.049 1.00 0.00 N ATOM 1663 CA LEU A 109 1.742 -6.033 6.115 1.00 0.00 C ATOM 1664 C LEU A 109 1.440 -7.532 6.159 1.00 0.00 C ATOM 1665 O LEU A 109 2.026 -8.309 5.406 1.00 0.00 O ATOM 1666 CB LEU A 109 2.594 -5.543 7.288 1.00 0.00 C ATOM 1667 CG LEU A 109 3.526 -4.366 6.995 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.780 -4.831 6.252 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.789 -3.258 6.239 1.00 0.00 C ATOM 0 H LEU A 109 0.364 -4.606 6.793 1.00 0.00 H new ATOM 0 HA LEU A 109 2.338 -5.854 5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.927 -5.259 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.197 -6.377 7.647 1.00 0.00 H new ATOM 0 HG LEU A 109 3.853 -3.945 7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.425 -3.975 6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.316 -5.557 6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.493 -5.293 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.474 -2.433 6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.414 -3.650 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.953 -2.901 6.841 1.00 0.00 H new ATOM 1681 N ARG A 110 0.525 -7.893 7.047 1.00 0.00 N ATOM 1682 CA ARG A 110 0.138 -9.285 7.198 1.00 0.00 C ATOM 1683 C ARG A 110 -0.423 -9.826 5.881 1.00 0.00 C ATOM 1684 O ARG A 110 -0.117 -10.950 5.487 1.00 0.00 O ATOM 1685 CB ARG A 110 -0.912 -9.449 8.298 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.483 -10.868 8.305 1.00 0.00 C ATOM 1687 CD ARG A 110 -2.445 -11.067 9.478 1.00 0.00 C ATOM 1688 NE ARG A 110 -3.782 -10.533 9.132 1.00 0.00 N ATOM 1689 CZ ARG A 110 -4.833 -10.546 9.962 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -4.711 -11.066 11.191 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -6.008 -10.039 9.563 1.00 0.00 N ATOM 0 H ARG A 110 0.041 -7.246 7.669 1.00 0.00 H new ATOM 0 HA ARG A 110 1.029 -9.848 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.465 -9.228 9.268 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.717 -8.730 8.147 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.004 -11.059 7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.670 -11.591 8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.520 -12.127 9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.061 -10.562 10.364 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.911 -10.130 8.204 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.817 -11.452 11.495 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.512 -11.076 11.823 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.101 -9.643 8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.809 -10.049 10.195 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.236 -9.001 5.238 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.843 -9.382 3.974 1.00 0.00 C ATOM 1707 C VAL A 111 -0.765 -9.431 2.890 1.00 0.00 C ATOM 1708 O VAL A 111 -0.543 -10.475 2.277 1.00 0.00 O ATOM 1709 CB VAL A 111 -2.989 -8.426 3.635 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.770 -8.918 2.415 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -3.915 -8.232 4.837 1.00 0.00 C ATOM 0 H VAL A 111 -1.489 -8.070 5.569 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.279 -10.379 4.044 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.555 -7.457 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.579 -8.221 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.102 -8.981 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.187 -9.903 2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.721 -7.548 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.337 -9.193 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.348 -7.816 5.670 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.123 -8.290 2.686 1.00 0.00 N ATOM 1722 CA VAL A 112 0.927 -8.191 1.686 1.00 0.00 C ATOM 1723 C VAL A 112 1.888 -9.371 1.842 1.00 0.00 C ATOM 1724 O VAL A 112 2.330 -9.951 0.852 1.00 0.00 O ATOM 1725 CB VAL A 112 1.625 -6.833 1.794 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.826 -6.758 0.849 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.644 -5.690 1.526 1.00 0.00 C ATOM 0 H VAL A 112 -0.309 -7.426 3.196 1.00 0.00 H new ATOM 0 HA VAL A 112 0.505 -8.247 0.682 1.00 0.00 H new ATOM 0 HB VAL A 112 1.994 -6.725 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.304 -5.783 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.541 -7.540 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.490 -6.897 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.165 -4.736 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.232 -5.792 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.165 -5.726 2.256 1.00 0.00 H new ATOM 1737 N ASN A 113 2.183 -9.691 3.094 1.00 0.00 N ATOM 1738 CA ASN A 113 3.083 -10.792 3.392 1.00 0.00 C ATOM 1739 C ASN A 113 2.397 -12.114 3.046 1.00 0.00 C ATOM 1740 O ASN A 113 3.036 -13.034 2.537 1.00 0.00 O ATOM 1741 CB ASN A 113 3.443 -10.821 4.879 1.00 0.00 C ATOM 1742 CG ASN A 113 4.712 -10.010 5.152 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.826 -10.484 5.004 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.481 -8.765 5.559 1.00 0.00 N ATOM 0 H ASN A 113 1.815 -9.207 3.913 1.00 0.00 H new ATOM 0 HA ASN A 113 3.990 -10.655 2.803 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.617 -10.418 5.465 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.590 -11.852 5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.262 -8.144 5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.523 -8.432 5.662 1.00 0.00 H new ATOM 1751 N ALA A 114 1.105 -12.168 3.335 1.00 0.00 N ATOM 1752 CA ALA A 114 0.326 -13.363 3.060 1.00 0.00 C ATOM 1753 C ALA A 114 0.217 -13.559 1.547 1.00 0.00 C ATOM 1754 O ALA A 114 -0.102 -14.651 1.080 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.043 -13.245 3.733 1.00 0.00 C ATOM 0 H ALA A 114 0.578 -11.403 3.757 1.00 0.00 H new ATOM 0 HA ALA A 114 0.817 -14.245 3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.628 -14.141 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -0.911 -13.137 4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.566 -12.372 3.342 1.00 0.00 H new ATOM 1761 N ALA A 115 0.489 -12.484 0.822 1.00 0.00 N ATOM 1762 CA ALA A 115 0.426 -12.524 -0.629 1.00 0.00 C ATOM 1763 C ALA A 115 1.799 -12.907 -1.185 1.00 0.00 C ATOM 1764 O ALA A 115 1.895 -13.702 -2.119 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.060 -11.172 -1.156 1.00 0.00 C ATOM 0 H ALA A 115 0.754 -11.580 1.213 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.286 -13.279 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.107 -11.202 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.051 -10.960 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.632 -10.390 -0.844 1.00 0.00 H new ATOM 1771 N ILE A 116 2.827 -12.324 -0.587 1.00 0.00 N ATOM 1772 CA ILE A 116 4.191 -12.595 -1.010 1.00 0.00 C ATOM 1773 C ILE A 116 4.476 -14.091 -0.872 1.00 0.00 C ATOM 1774 O ILE A 116 4.911 -14.735 -1.826 1.00 0.00 O ATOM 1775 CB ILE A 116 5.175 -11.708 -0.245 1.00 0.00 C ATOM 1776 CG1 ILE A 116 5.077 -10.253 -0.708 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.602 -12.250 -0.356 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.656 -9.303 0.343 1.00 0.00 C ATOM 0 H ILE A 116 2.743 -11.665 0.187 1.00 0.00 H new ATOM 0 HA ILE A 116 4.321 -12.342 -2.062 1.00 0.00 H new ATOM 0 HB ILE A 116 4.904 -11.729 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.613 -10.130 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.035 -9.998 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.282 -11.601 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.642 -13.257 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.900 -12.279 -1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.574 -8.275 -0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.102 -9.411 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.705 -9.545 0.514 1.00 0.00 H new ATOM 1790 N ALA A 117 4.218 -14.603 0.323 1.00 0.00 N ATOM 1791 CA ALA A 117 4.441 -16.012 0.598 1.00 0.00 C ATOM 1792 C ALA A 117 3.703 -16.854 -0.445 1.00 0.00 C ATOM 1793 O ALA A 117 4.249 -17.827 -0.961 1.00 0.00 O ATOM 1794 CB ALA A 117 3.995 -16.330 2.026 1.00 0.00 C ATOM 0 H ALA A 117 3.857 -14.067 1.112 1.00 0.00 H new ATOM 0 HA ALA A 117 5.501 -16.254 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.162 -17.387 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.570 -15.728 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.935 -16.102 2.135 1.00 0.00 H new ATOM 1800 N SER A 118 2.473 -16.448 -0.723 1.00 0.00 N ATOM 1801 CA SER A 118 1.655 -17.153 -1.695 1.00 0.00 C ATOM 1802 C SER A 118 2.053 -16.739 -3.113 1.00 0.00 C ATOM 1803 O SER A 118 1.238 -16.195 -3.856 1.00 0.00 O ATOM 1804 CB SER A 118 0.167 -16.883 -1.461 1.00 0.00 C ATOM 1805 OG SER A 118 -0.427 -17.862 -0.613 1.00 0.00 O ATOM 0 H SER A 118 2.023 -15.640 -0.292 1.00 0.00 H new ATOM 0 HA SER A 118 1.826 -18.223 -1.575 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.043 -15.895 -1.016 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.354 -16.869 -2.418 1.00 0.00 H new ATOM 0 HG SER A 118 -1.376 -17.653 -0.487 1.00 0.00 H new ATOM 1811 N GLY A 119 3.306 -17.014 -3.445 1.00 0.00 N ATOM 1812 CA GLY A 119 3.822 -16.677 -4.761 1.00 0.00 C ATOM 1813 C GLY A 119 3.769 -17.886 -5.697 1.00 0.00 C ATOM 1814 O GLY A 119 3.077 -18.864 -5.415 1.00 0.00 O ATOM 0 H GLY A 119 3.979 -17.466 -2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 119 3.240 -15.859 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 119 4.850 -16.325 -4.673 1.00 0.00 H new ATOM 1818 N PRO A 120 4.527 -17.777 -6.820 1.00 0.00 N ATOM 1819 CA PRO A 120 4.573 -18.850 -7.800 1.00 0.00 C ATOM 1820 C PRO A 120 5.425 -20.016 -7.295 1.00 0.00 C ATOM 1821 O PRO A 120 6.516 -20.261 -7.809 1.00 0.00 O ATOM 1822 CB PRO A 120 5.130 -18.208 -9.060 1.00 0.00 C ATOM 1823 CG PRO A 120 5.808 -16.925 -8.610 1.00 0.00 C ATOM 1824 CD PRO A 120 5.359 -16.634 -7.187 1.00 0.00 C ATOM 0 HA PRO A 120 3.593 -19.288 -7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 120 5.839 -18.871 -9.555 1.00 0.00 H new ATOM 0 HB3 PRO A 120 4.335 -17.999 -9.776 1.00 0.00 H new ATOM 0 HG2 PRO A 120 6.892 -17.030 -8.654 1.00 0.00 H new ATOM 0 HG3 PRO A 120 5.541 -16.100 -9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 120 6.212 -16.533 -6.516 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.797 -15.701 -7.132 1.00 0.00 H new ATOM 1832 N SER A 121 4.895 -20.706 -6.296 1.00 0.00 N ATOM 1833 CA SER A 121 5.594 -21.841 -5.716 1.00 0.00 C ATOM 1834 C SER A 121 4.745 -23.106 -5.861 1.00 0.00 C ATOM 1835 O SER A 121 3.565 -23.031 -6.198 1.00 0.00 O ATOM 1836 CB SER A 121 5.926 -21.590 -4.244 1.00 0.00 C ATOM 1837 OG SER A 121 4.761 -21.597 -3.425 1.00 0.00 O ATOM 0 H SER A 121 3.990 -20.501 -5.873 1.00 0.00 H new ATOM 0 HA SER A 121 6.533 -21.977 -6.253 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.620 -22.354 -3.894 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.433 -20.630 -4.145 1.00 0.00 H new ATOM 0 HG SER A 121 5.016 -21.435 -2.493 1.00 0.00 H new ATOM 1843 N SER A 122 5.381 -24.239 -5.598 1.00 0.00 N ATOM 1844 CA SER A 122 4.699 -25.518 -5.695 1.00 0.00 C ATOM 1845 C SER A 122 4.694 -26.213 -4.332 1.00 0.00 C ATOM 1846 O SER A 122 5.439 -25.826 -3.431 1.00 0.00 O ATOM 1847 CB SER A 122 5.358 -26.415 -6.745 1.00 0.00 C ATOM 1848 OG SER A 122 4.418 -27.286 -7.368 1.00 0.00 O ATOM 0 H SER A 122 6.360 -24.297 -5.318 1.00 0.00 H new ATOM 0 HA SER A 122 3.671 -25.334 -6.006 1.00 0.00 H new ATOM 0 HB2 SER A 122 5.836 -25.795 -7.503 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.144 -27.006 -6.275 1.00 0.00 H new ATOM 0 HG SER A 122 4.877 -27.841 -8.033 1.00 0.00 H new ATOM 1854 N GLY A 123 3.847 -27.225 -4.222 1.00 0.00 N ATOM 1855 CA GLY A 123 3.735 -27.977 -2.983 1.00 0.00 C ATOM 1856 C GLY A 123 3.612 -29.476 -3.261 1.00 0.00 C ATOM 1857 O GLY A 123 4.396 -30.273 -2.748 1.00 0.00 O ATOM 0 H GLY A 123 3.231 -27.542 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 123 4.609 -27.790 -2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.865 -27.635 -2.423 1.00 0.00 H new TER 1861 GLY A 123