USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 777 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 72 LYS NZ :NH3+ -112:sc= 1.14 (180deg=-0.866) USER MOD Set 1.2: A 75 THR OG1 : rot 80:sc= 0.962 USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 38 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.87) USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= -0.214 USER MOD Set 3.2: A 23 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 21 THR OG1 : rot 146:sc= 0.914 USER MOD Set 4.2: A 24 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 1 GLY N :NH3+ -177:sc= 0 (180deg=-0.00711) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00751 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -170:sc= -0.416 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 14 ASN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.5) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 21:sc= -0.287 USER MOD Single : A 43 SER OG : rot -7:sc= 0.179 USER MOD Single : A 44 TYR OH : rot 15:sc= -0.215 USER MOD Single : A 45 THR OG1 : rot 138:sc= 1.45 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.149 F(o=-0.76,f=-0.15) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0.781 K(o=0.78,f=-4.8!) USER MOD Single : A 55 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD Single : A 58 GLN : amide:sc= -0.046 K(o=-0.046,f=-1.1) USER MOD Single : A 59 ASN : amide:sc= -4.68! C(o=-4.7!,f=-6.8!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0694 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0724 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 41:sc= 1.96 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 119:sc= -1.79 USER MOD Single : A 86 SER OG : rot 180:sc= -0.172 USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= -0.135 (180deg=-0.752) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 73:sc= -2.59! USER MOD Single : A 95 SER OG : rot 157:sc= 1.18 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -108:sc= -2.04! USER MOD Single : A 100 THR OG1 : rot -145:sc= 0.11 USER MOD Single : A 101 MET CE :methyl -163:sc= -0.165 (180deg=-0.702) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.249 -22.631 -19.225 1.00 0.00 N ATOM 2 CA GLY A 1 8.021 -23.823 -18.926 1.00 0.00 C ATOM 3 C GLY A 1 7.597 -24.477 -17.625 1.00 0.00 C ATOM 4 O GLY A 1 7.457 -25.698 -17.553 1.00 0.00 O ATOM 0 H1 GLY A 1 7.542 -22.250 -20.147 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.237 -22.871 -19.255 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.414 -21.917 -18.487 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.910 -24.538 -19.741 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.078 -23.563 -18.871 1.00 0.00 H new ATOM 8 N SER A 2 7.393 -23.663 -16.594 1.00 0.00 N ATOM 9 CA SER A 2 6.988 -24.170 -15.289 1.00 0.00 C ATOM 10 C SER A 2 5.603 -23.652 -14.910 1.00 0.00 C ATOM 11 O SER A 2 5.474 -22.656 -14.198 1.00 0.00 O ATOM 12 CB SER A 2 8.006 -23.763 -14.222 1.00 0.00 C ATOM 13 OG SER A 2 7.503 -24.002 -12.919 1.00 0.00 O ATOM 0 H SER A 2 7.502 -22.650 -16.638 1.00 0.00 H new ATOM 0 HA SER A 2 6.947 -25.258 -15.346 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.931 -24.321 -14.366 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.251 -22.707 -14.333 1.00 0.00 H new ATOM 0 HG SER A 2 8.173 -23.735 -12.256 1.00 0.00 H new ATOM 19 N SER A 3 4.570 -24.335 -15.393 1.00 0.00 N ATOM 20 CA SER A 3 3.195 -23.943 -15.109 1.00 0.00 C ATOM 21 C SER A 3 2.899 -24.040 -13.616 1.00 0.00 C ATOM 22 O SER A 3 3.048 -25.100 -13.009 1.00 0.00 O ATOM 23 CB SER A 3 2.219 -24.824 -15.892 1.00 0.00 C ATOM 24 OG SER A 3 0.888 -24.631 -15.447 1.00 0.00 O ATOM 0 H SER A 3 4.659 -25.162 -15.983 1.00 0.00 H new ATOM 0 HA SER A 3 3.068 -22.906 -15.420 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.288 -24.592 -16.955 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.496 -25.872 -15.776 1.00 0.00 H new ATOM 0 HG SER A 3 0.284 -25.204 -15.964 1.00 0.00 H new ATOM 30 N GLY A 4 2.479 -22.924 -13.028 1.00 0.00 N ATOM 31 CA GLY A 4 2.169 -22.903 -11.611 1.00 0.00 C ATOM 32 C GLY A 4 1.973 -21.496 -11.081 1.00 0.00 C ATOM 33 O GLY A 4 2.938 -20.753 -10.902 1.00 0.00 O ATOM 0 H GLY A 4 2.348 -22.034 -13.508 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.265 -23.485 -11.431 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.975 -23.387 -11.059 1.00 0.00 H new ATOM 37 N SER A 5 0.721 -21.129 -10.830 1.00 0.00 N ATOM 38 CA SER A 5 0.401 -19.800 -10.322 1.00 0.00 C ATOM 39 C SER A 5 -0.285 -19.888 -8.962 1.00 0.00 C ATOM 40 O SER A 5 -1.197 -20.691 -8.765 1.00 0.00 O ATOM 41 CB SER A 5 -0.497 -19.055 -11.311 1.00 0.00 C ATOM 42 OG SER A 5 0.171 -18.835 -12.541 1.00 0.00 O ATOM 0 H SER A 5 -0.089 -21.733 -10.970 1.00 0.00 H new ATOM 0 HA SER A 5 1.334 -19.250 -10.204 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.406 -19.630 -11.485 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.801 -18.100 -10.883 1.00 0.00 H new ATOM 0 HG SER A 5 -0.425 -18.359 -13.156 1.00 0.00 H new ATOM 48 N SER A 6 0.162 -19.056 -8.026 1.00 0.00 N ATOM 49 CA SER A 6 -0.405 -19.042 -6.683 1.00 0.00 C ATOM 50 C SER A 6 -0.490 -17.617 -6.144 1.00 0.00 C ATOM 51 O SER A 6 0.336 -16.766 -6.474 1.00 0.00 O ATOM 52 CB SER A 6 0.437 -19.905 -5.742 1.00 0.00 C ATOM 53 OG SER A 6 1.650 -19.256 -5.402 1.00 0.00 O ATOM 0 H SER A 6 0.915 -18.383 -8.173 1.00 0.00 H new ATOM 0 HA SER A 6 -1.413 -19.453 -6.737 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.130 -20.120 -4.836 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.654 -20.862 -6.217 1.00 0.00 H new ATOM 0 HG SER A 6 2.237 -19.885 -4.933 1.00 0.00 H new ATOM 59 N GLY A 7 -1.496 -17.364 -5.312 1.00 0.00 N ATOM 60 CA GLY A 7 -1.671 -16.042 -4.740 1.00 0.00 C ATOM 61 C GLY A 7 -3.068 -15.496 -4.961 1.00 0.00 C ATOM 62 O GLY A 7 -3.855 -16.039 -5.737 1.00 0.00 O ATOM 0 H GLY A 7 -2.193 -18.051 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.465 -16.082 -3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.944 -15.360 -5.180 1.00 0.00 H new ATOM 66 N PRO A 8 -3.394 -14.396 -4.265 1.00 0.00 N ATOM 67 CA PRO A 8 -4.707 -13.753 -4.371 1.00 0.00 C ATOM 68 C PRO A 8 -4.915 -13.079 -5.723 1.00 0.00 C ATOM 69 O PRO A 8 -3.966 -12.588 -6.335 1.00 0.00 O ATOM 70 CB PRO A 8 -4.683 -12.710 -3.252 1.00 0.00 C ATOM 71 CG PRO A 8 -3.238 -12.412 -3.043 1.00 0.00 C ATOM 72 CD PRO A 8 -2.506 -13.696 -3.322 1.00 0.00 C ATOM 0 HA PRO A 8 -5.521 -14.473 -4.284 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.235 -11.814 -3.534 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.144 -13.095 -2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.903 -11.618 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.053 -12.071 -2.024 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.523 -13.512 -3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.349 -14.275 -2.412 1.00 0.00 H new ATOM 80 N SER A 9 -6.162 -13.057 -6.183 1.00 0.00 N ATOM 81 CA SER A 9 -6.493 -12.446 -7.465 1.00 0.00 C ATOM 82 C SER A 9 -7.443 -11.267 -7.275 1.00 0.00 C ATOM 83 O SER A 9 -8.146 -10.866 -8.201 1.00 0.00 O ATOM 84 CB SER A 9 -7.126 -13.479 -8.399 1.00 0.00 C ATOM 85 OG SER A 9 -8.359 -13.949 -7.879 1.00 0.00 O ATOM 0 H SER A 9 -6.959 -13.455 -5.687 1.00 0.00 H new ATOM 0 HA SER A 9 -5.570 -12.079 -7.913 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.288 -13.035 -9.381 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.443 -14.317 -8.536 1.00 0.00 H new ATOM 0 HG SER A 9 -8.744 -14.607 -8.495 1.00 0.00 H new ATOM 91 N GLY A 10 -7.456 -10.715 -6.065 1.00 0.00 N ATOM 92 CA GLY A 10 -8.322 -9.587 -5.774 1.00 0.00 C ATOM 93 C GLY A 10 -7.694 -8.611 -4.798 1.00 0.00 C ATOM 94 O GLY A 10 -7.494 -8.935 -3.627 1.00 0.00 O ATOM 0 H GLY A 10 -6.883 -11.029 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.560 -9.066 -6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.263 -9.952 -5.363 1.00 0.00 H new ATOM 98 N PHE A 11 -7.382 -7.413 -5.280 1.00 0.00 N ATOM 99 CA PHE A 11 -6.771 -6.388 -4.443 1.00 0.00 C ATOM 100 C PHE A 11 -7.790 -5.801 -3.470 1.00 0.00 C ATOM 101 O PHE A 11 -8.999 -5.847 -3.696 1.00 0.00 O ATOM 102 CB PHE A 11 -6.179 -5.275 -5.311 1.00 0.00 C ATOM 103 CG PHE A 11 -7.107 -4.803 -6.394 1.00 0.00 C ATOM 104 CD1 PHE A 11 -7.192 -5.483 -7.597 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.895 -3.678 -6.207 1.00 0.00 C ATOM 106 CE1 PHE A 11 -8.045 -5.050 -8.595 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.749 -3.240 -7.201 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.825 -3.927 -8.396 1.00 0.00 C ATOM 0 H PHE A 11 -7.542 -7.128 -6.246 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.971 -6.855 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.916 -4.430 -4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.255 -5.632 -5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.585 -6.362 -7.758 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.841 -3.138 -5.274 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.102 -5.589 -9.529 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.356 -2.361 -7.043 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.493 -3.587 -9.174 1.00 0.00 H new ATOM 118 N PRO A 12 -7.291 -5.236 -2.360 1.00 0.00 N ATOM 119 CA PRO A 12 -8.140 -4.630 -1.331 1.00 0.00 C ATOM 120 C PRO A 12 -8.800 -3.341 -1.808 1.00 0.00 C ATOM 121 O PRO A 12 -8.509 -2.853 -2.900 1.00 0.00 O ATOM 122 CB PRO A 12 -7.161 -4.339 -0.190 1.00 0.00 C ATOM 123 CG PRO A 12 -5.835 -4.203 -0.855 1.00 0.00 C ATOM 124 CD PRO A 12 -5.860 -5.146 -2.026 1.00 0.00 C ATOM 0 HA PRO A 12 -8.965 -5.283 -1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.433 -3.427 0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.156 -5.146 0.543 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.667 -3.177 -1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.027 -4.455 -0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.275 -4.764 -2.863 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.446 -6.120 -1.766 1.00 0.00 H new ATOM 132 N GLN A 13 -9.688 -2.795 -0.984 1.00 0.00 N ATOM 133 CA GLN A 13 -10.388 -1.562 -1.324 1.00 0.00 C ATOM 134 C GLN A 13 -10.270 -0.541 -0.198 1.00 0.00 C ATOM 135 O GLN A 13 -9.591 -0.779 0.800 1.00 0.00 O ATOM 136 CB GLN A 13 -11.862 -1.851 -1.612 1.00 0.00 C ATOM 137 CG GLN A 13 -12.106 -3.224 -2.219 1.00 0.00 C ATOM 138 CD GLN A 13 -11.797 -3.270 -3.702 1.00 0.00 C ATOM 139 OE1 GLN A 13 -11.259 -2.316 -4.266 1.00 0.00 O ATOM 140 NE2 GLN A 13 -12.135 -4.382 -4.344 1.00 0.00 N ATOM 0 H GLN A 13 -9.940 -3.187 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.924 -1.146 -2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.428 -1.767 -0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.247 -1.090 -2.290 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.492 -3.960 -1.701 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.146 -3.508 -2.060 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.579 -5.148 -3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.951 -4.470 -5.343 1.00 0.00 H new ATOM 149 N ASN A 14 -10.934 0.598 -0.366 1.00 0.00 N ATOM 150 CA ASN A 14 -10.902 1.657 0.637 1.00 0.00 C ATOM 151 C ASN A 14 -9.470 2.112 0.901 1.00 0.00 C ATOM 152 O ASN A 14 -9.147 2.579 1.994 1.00 0.00 O ATOM 153 CB ASN A 14 -11.545 1.175 1.939 1.00 0.00 C ATOM 154 CG ASN A 14 -13.036 1.449 1.983 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.538 2.058 2.928 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.751 0.999 0.959 1.00 0.00 N ATOM 0 H ASN A 14 -11.501 0.812 -1.187 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.469 2.505 0.253 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.371 0.105 2.052 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.063 1.667 2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.759 1.153 0.934 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.292 0.499 0.197 1.00 0.00 H new ATOM 163 N LEU A 15 -8.616 1.974 -0.106 1.00 0.00 N ATOM 164 CA LEU A 15 -7.217 2.372 0.016 1.00 0.00 C ATOM 165 C LEU A 15 -7.069 3.885 -0.104 1.00 0.00 C ATOM 166 O LEU A 15 -7.159 4.443 -1.198 1.00 0.00 O ATOM 167 CB LEU A 15 -6.374 1.679 -1.055 1.00 0.00 C ATOM 168 CG LEU A 15 -4.858 1.806 -0.903 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.409 1.260 0.444 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.145 1.085 -2.037 1.00 0.00 C ATOM 0 H LEU A 15 -8.867 1.589 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.863 2.068 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.631 0.620 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.656 2.082 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.595 2.863 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.327 1.359 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.893 1.821 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.685 0.208 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.067 1.186 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.414 0.029 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.442 1.522 -2.990 1.00 0.00 H new ATOM 182 N HIS A 16 -6.840 4.544 1.028 1.00 0.00 N ATOM 183 CA HIS A 16 -6.676 5.993 1.049 1.00 0.00 C ATOM 184 C HIS A 16 -5.800 6.423 2.222 1.00 0.00 C ATOM 185 O HIS A 16 -5.278 5.588 2.960 1.00 0.00 O ATOM 186 CB HIS A 16 -8.039 6.680 1.136 1.00 0.00 C ATOM 187 CG HIS A 16 -8.954 6.070 2.153 1.00 0.00 C ATOM 188 ND1 HIS A 16 -10.055 5.312 1.815 1.00 0.00 N ATOM 189 CD2 HIS A 16 -8.925 6.109 3.505 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.665 4.912 2.917 1.00 0.00 C ATOM 191 NE2 HIS A 16 -9.999 5.382 3.956 1.00 0.00 N ATOM 0 H HIS A 16 -6.764 4.098 1.942 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.185 6.293 0.123 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.891 7.733 1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.519 6.642 0.158 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.193 6.617 4.116 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.557 4.304 2.960 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.243 5.230 4.935 1.00 0.00 H new ATOM 200 N VAL A 17 -5.643 7.733 2.387 1.00 0.00 N ATOM 201 CA VAL A 17 -4.831 8.275 3.470 1.00 0.00 C ATOM 202 C VAL A 17 -5.701 8.948 4.526 1.00 0.00 C ATOM 203 O VAL A 17 -6.393 9.927 4.244 1.00 0.00 O ATOM 204 CB VAL A 17 -3.801 9.292 2.945 1.00 0.00 C ATOM 205 CG1 VAL A 17 -3.181 10.069 4.097 1.00 0.00 C ATOM 206 CG2 VAL A 17 -2.727 8.589 2.127 1.00 0.00 C ATOM 0 H VAL A 17 -6.067 8.438 1.784 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.303 7.434 3.920 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.315 10.000 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.456 10.783 3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.962 10.604 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.680 9.377 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.008 9.323 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.215 7.857 2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.188 8.083 1.279 1.00 0.00 H new ATOM 216 N THR A 18 -5.661 8.417 5.744 1.00 0.00 N ATOM 217 CA THR A 18 -6.446 8.966 6.843 1.00 0.00 C ATOM 218 C THR A 18 -5.869 10.293 7.321 1.00 0.00 C ATOM 219 O THR A 18 -6.581 11.123 7.885 1.00 0.00 O ATOM 220 CB THR A 18 -6.509 7.988 8.031 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.451 8.457 9.002 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.141 7.834 8.678 1.00 0.00 C ATOM 0 H THR A 18 -5.093 7.607 5.994 1.00 0.00 H new ATOM 0 HA THR A 18 -7.454 9.128 6.462 1.00 0.00 H new ATOM 0 HB THR A 18 -6.828 7.015 7.656 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.486 7.829 9.753 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.210 7.139 9.515 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.433 7.449 7.944 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.798 8.803 9.040 1.00 0.00 H new ATOM 230 N GLY A 19 -4.574 10.487 7.092 1.00 0.00 N ATOM 231 CA GLY A 19 -3.923 11.717 7.506 1.00 0.00 C ATOM 232 C GLY A 19 -2.446 11.734 7.167 1.00 0.00 C ATOM 233 O GLY A 19 -1.619 11.239 7.934 1.00 0.00 O ATOM 0 H GLY A 19 -3.964 9.815 6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.413 12.563 7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.047 11.846 8.581 1.00 0.00 H new ATOM 237 N LEU A 20 -2.113 12.304 6.014 1.00 0.00 N ATOM 238 CA LEU A 20 -0.724 12.382 5.573 1.00 0.00 C ATOM 239 C LEU A 20 0.089 13.287 6.493 1.00 0.00 C ATOM 240 O LEU A 20 -0.462 13.965 7.361 1.00 0.00 O ATOM 241 CB LEU A 20 -0.654 12.901 4.136 1.00 0.00 C ATOM 242 CG LEU A 20 -1.427 14.188 3.848 1.00 0.00 C ATOM 243 CD1 LEU A 20 -2.873 13.875 3.496 1.00 0.00 C ATOM 244 CD2 LEU A 20 -1.359 15.130 5.042 1.00 0.00 C ATOM 0 H LEU A 20 -2.785 12.719 5.368 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.299 11.379 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.393 13.065 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.026 12.121 3.471 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.965 14.683 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.407 14.803 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.903 13.239 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.347 13.358 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.915 16.041 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.795 14.643 5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.319 15.381 5.249 1.00 0.00 H new ATOM 256 N THR A 21 1.404 13.294 6.296 1.00 0.00 N ATOM 257 CA THR A 21 2.293 14.116 7.107 1.00 0.00 C ATOM 258 C THR A 21 3.455 14.652 6.278 1.00 0.00 C ATOM 259 O THR A 21 3.866 14.036 5.294 1.00 0.00 O ATOM 260 CB THR A 21 2.854 13.326 8.304 1.00 0.00 C ATOM 261 OG1 THR A 21 1.912 12.329 8.717 1.00 0.00 O ATOM 262 CG2 THR A 21 3.161 14.253 9.469 1.00 0.00 C ATOM 0 H THR A 21 1.876 12.740 5.582 1.00 0.00 H new ATOM 0 HA THR A 21 1.699 14.951 7.479 1.00 0.00 H new ATOM 0 HB THR A 21 3.780 12.844 7.991 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.393 11.539 9.040 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.556 13.672 10.302 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.900 14.993 9.160 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.248 14.760 9.781 1.00 0.00 H new ATOM 270 N THR A 22 3.982 15.804 6.680 1.00 0.00 N ATOM 271 CA THR A 22 5.096 16.424 5.974 1.00 0.00 C ATOM 272 C THR A 22 6.122 15.381 5.545 1.00 0.00 C ATOM 273 O THR A 22 6.501 15.314 4.376 1.00 0.00 O ATOM 274 CB THR A 22 5.793 17.485 6.846 1.00 0.00 C ATOM 275 OG1 THR A 22 6.353 16.871 8.012 1.00 0.00 O ATOM 276 CG2 THR A 22 4.814 18.574 7.259 1.00 0.00 C ATOM 0 H THR A 22 3.655 16.327 7.492 1.00 0.00 H new ATOM 0 HA THR A 22 4.681 16.908 5.090 1.00 0.00 H new ATOM 0 HB THR A 22 6.590 17.940 6.258 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.796 17.552 8.560 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.329 19.312 7.874 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.413 19.059 6.369 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.998 18.132 7.830 1.00 0.00 H new ATOM 284 N SER A 23 6.569 14.570 6.499 1.00 0.00 N ATOM 285 CA SER A 23 7.554 13.532 6.219 1.00 0.00 C ATOM 286 C SER A 23 6.893 12.158 6.153 1.00 0.00 C ATOM 287 O SER A 23 7.204 11.347 5.281 1.00 0.00 O ATOM 288 CB SER A 23 8.646 13.534 7.291 1.00 0.00 C ATOM 289 OG SER A 23 9.418 14.720 7.230 1.00 0.00 O ATOM 0 H SER A 23 6.265 14.612 7.472 1.00 0.00 H new ATOM 0 HA SER A 23 8.005 13.746 5.250 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.192 13.442 8.278 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.294 12.668 7.157 1.00 0.00 H new ATOM 0 HG SER A 23 10.108 14.698 7.926 1.00 0.00 H new ATOM 295 N THR A 24 5.977 11.904 7.083 1.00 0.00 N ATOM 296 CA THR A 24 5.272 10.629 7.133 1.00 0.00 C ATOM 297 C THR A 24 3.901 10.734 6.475 1.00 0.00 C ATOM 298 O THR A 24 3.471 11.818 6.078 1.00 0.00 O ATOM 299 CB THR A 24 5.098 10.140 8.583 1.00 0.00 C ATOM 300 OG1 THR A 24 4.157 10.973 9.271 1.00 0.00 O ATOM 301 CG2 THR A 24 6.427 10.151 9.321 1.00 0.00 C ATOM 0 H THR A 24 5.706 12.565 7.812 1.00 0.00 H new ATOM 0 HA THR A 24 5.880 9.909 6.586 1.00 0.00 H new ATOM 0 HB THR A 24 4.725 9.116 8.556 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.050 10.655 10.192 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.279 9.802 10.343 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.132 9.494 8.811 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.825 11.166 9.339 1.00 0.00 H new ATOM 309 N THR A 25 3.216 9.600 6.362 1.00 0.00 N ATOM 310 CA THR A 25 1.893 9.564 5.752 1.00 0.00 C ATOM 311 C THR A 25 1.097 8.357 6.235 1.00 0.00 C ATOM 312 O THR A 25 1.469 7.213 5.974 1.00 0.00 O ATOM 313 CB THR A 25 1.984 9.524 4.215 1.00 0.00 C ATOM 314 OG1 THR A 25 2.118 10.852 3.697 1.00 0.00 O ATOM 315 CG2 THR A 25 0.751 8.863 3.617 1.00 0.00 C ATOM 0 H THR A 25 3.556 8.694 6.685 1.00 0.00 H new ATOM 0 HA THR A 25 1.381 10.477 6.054 1.00 0.00 H new ATOM 0 HB THR A 25 2.861 8.937 3.940 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.456 11.445 4.400 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.838 8.846 2.531 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.668 7.842 3.990 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.138 9.426 3.901 1.00 0.00 H new ATOM 323 N GLU A 26 0.001 8.619 6.940 1.00 0.00 N ATOM 324 CA GLU A 26 -0.847 7.552 7.458 1.00 0.00 C ATOM 325 C GLU A 26 -1.620 6.874 6.331 1.00 0.00 C ATOM 326 O GLU A 26 -1.767 7.431 5.242 1.00 0.00 O ATOM 327 CB GLU A 26 -1.822 8.106 8.499 1.00 0.00 C ATOM 328 CG GLU A 26 -1.256 8.135 9.909 1.00 0.00 C ATOM 329 CD GLU A 26 -2.327 7.985 10.971 1.00 0.00 C ATOM 330 OE1 GLU A 26 -3.255 8.821 11.000 1.00 0.00 O ATOM 331 OE2 GLU A 26 -2.238 7.033 11.774 1.00 0.00 O ATOM 0 H GLU A 26 -0.320 9.560 7.165 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.204 6.810 7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.111 9.117 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.729 7.501 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.525 7.334 10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.725 9.074 10.064 1.00 0.00 H new ATOM 338 N LEU A 27 -2.110 5.669 6.599 1.00 0.00 N ATOM 339 CA LEU A 27 -2.868 4.914 5.608 1.00 0.00 C ATOM 340 C LEU A 27 -3.993 4.124 6.269 1.00 0.00 C ATOM 341 O LEU A 27 -3.983 3.904 7.479 1.00 0.00 O ATOM 342 CB LEU A 27 -1.943 3.964 4.844 1.00 0.00 C ATOM 343 CG LEU A 27 -0.759 4.614 4.127 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.075 3.561 3.414 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.245 5.668 3.144 1.00 0.00 C ATOM 0 H LEU A 27 -1.996 5.194 7.494 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.309 5.623 4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.556 3.224 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.537 3.425 4.106 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.131 5.103 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.913 4.041 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.453 2.842 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.543 3.044 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.389 6.120 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.895 5.202 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.800 6.438 3.681 1.00 0.00 H new ATOM 357 N ALA A 28 -4.962 3.697 5.464 1.00 0.00 N ATOM 358 CA ALA A 28 -6.091 2.927 5.970 1.00 0.00 C ATOM 359 C ALA A 28 -6.895 2.315 4.828 1.00 0.00 C ATOM 360 O ALA A 28 -7.558 3.026 4.072 1.00 0.00 O ATOM 361 CB ALA A 28 -6.984 3.806 6.834 1.00 0.00 C ATOM 0 H ALA A 28 -4.987 3.872 4.459 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.699 2.113 6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.823 3.218 7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.410 4.191 7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.359 4.639 6.240 1.00 0.00 H new ATOM 367 N TRP A 29 -6.830 0.995 4.706 1.00 0.00 N ATOM 368 CA TRP A 29 -7.551 0.288 3.654 1.00 0.00 C ATOM 369 C TRP A 29 -8.318 -0.901 4.224 1.00 0.00 C ATOM 370 O TRP A 29 -8.261 -1.171 5.424 1.00 0.00 O ATOM 371 CB TRP A 29 -6.580 -0.187 2.572 1.00 0.00 C ATOM 372 CG TRP A 29 -5.555 -1.157 3.078 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.661 -2.519 3.109 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.272 -0.840 3.627 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.520 -3.067 3.644 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.652 -2.058 3.969 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.585 0.354 3.861 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.380 -2.113 4.532 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.323 0.298 4.420 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.731 -0.928 4.750 1.00 0.00 C ATOM 0 H TRP A 29 -6.285 0.392 5.323 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.267 0.980 3.211 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.146 -0.655 1.766 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.072 0.678 2.145 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.516 -3.082 2.764 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.347 -4.063 3.778 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.033 1.304 3.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.922 -3.057 4.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.784 1.215 4.606 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.743 -0.938 5.185 1.00 0.00 H new ATOM 391 N ASP A 30 -9.034 -1.608 3.357 1.00 0.00 N ATOM 392 CA ASP A 30 -9.811 -2.769 3.774 1.00 0.00 C ATOM 393 C ASP A 30 -9.386 -4.014 3.002 1.00 0.00 C ATOM 394 O ASP A 30 -8.878 -3.937 1.883 1.00 0.00 O ATOM 395 CB ASP A 30 -11.304 -2.511 3.568 1.00 0.00 C ATOM 396 CG ASP A 30 -11.736 -2.727 2.131 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.472 -3.821 1.590 1.00 0.00 O ATOM 398 OD2 ASP A 30 -12.340 -1.802 1.548 1.00 0.00 O ATOM 0 H ASP A 30 -9.092 -1.397 2.361 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.622 -2.939 4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.877 -3.171 4.220 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.537 -1.488 3.865 1.00 0.00 H new ATOM 403 N PRO A 31 -9.597 -5.190 3.611 1.00 0.00 N ATOM 404 CA PRO A 31 -9.243 -6.474 2.998 1.00 0.00 C ATOM 405 C PRO A 31 -10.137 -6.817 1.812 1.00 0.00 C ATOM 406 O PRO A 31 -11.171 -6.189 1.582 1.00 0.00 O ATOM 407 CB PRO A 31 -9.452 -7.479 4.134 1.00 0.00 C ATOM 408 CG PRO A 31 -10.456 -6.836 5.028 1.00 0.00 C ATOM 409 CD PRO A 31 -10.199 -5.357 4.945 1.00 0.00 C ATOM 0 HA PRO A 31 -8.230 -6.468 2.597 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.814 -8.435 3.755 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.520 -7.678 4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.471 -7.074 4.709 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.351 -7.193 6.052 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.120 -4.783 5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.527 -5.021 5.734 1.00 0.00 H new ATOM 417 N PRO A 32 -9.733 -7.836 1.040 1.00 0.00 N ATOM 418 CA PRO A 32 -10.484 -8.286 -0.135 1.00 0.00 C ATOM 419 C PRO A 32 -11.798 -8.964 0.241 1.00 0.00 C ATOM 420 O PRO A 32 -11.819 -9.898 1.043 1.00 0.00 O ATOM 421 CB PRO A 32 -9.537 -9.288 -0.800 1.00 0.00 C ATOM 422 CG PRO A 32 -8.673 -9.785 0.307 1.00 0.00 C ATOM 423 CD PRO A 32 -8.510 -8.629 1.256 1.00 0.00 C ATOM 0 HA PRO A 32 -10.768 -7.454 -0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.089 -10.103 -1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.944 -8.814 -1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.131 -10.638 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.707 -10.118 -0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.427 -8.966 2.289 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.612 -8.051 1.036 1.00 0.00 H new ATOM 431 N VAL A 33 -12.893 -8.487 -0.343 1.00 0.00 N ATOM 432 CA VAL A 33 -14.210 -9.048 -0.070 1.00 0.00 C ATOM 433 C VAL A 33 -14.172 -10.572 -0.082 1.00 0.00 C ATOM 434 O VAL A 33 -13.495 -11.181 -0.912 1.00 0.00 O ATOM 435 CB VAL A 33 -15.251 -8.564 -1.097 1.00 0.00 C ATOM 436 CG1 VAL A 33 -15.609 -7.107 -0.848 1.00 0.00 C ATOM 437 CG2 VAL A 33 -14.731 -8.758 -2.514 1.00 0.00 C ATOM 0 H VAL A 33 -12.893 -7.714 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 33 -14.501 -8.702 0.922 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.155 -9.161 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -16.346 -6.783 -1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -16.025 -7.001 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.713 -6.492 -0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -15.479 -8.411 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.812 -8.187 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -14.529 -9.815 -2.686 1.00 0.00 H new ATOM 447 N LEU A 34 -14.904 -11.184 0.842 1.00 0.00 N ATOM 448 CA LEU A 34 -14.955 -12.639 0.938 1.00 0.00 C ATOM 449 C LEU A 34 -15.249 -13.265 -0.421 1.00 0.00 C ATOM 450 O LEU A 34 -14.946 -14.434 -0.656 1.00 0.00 O ATOM 451 CB LEU A 34 -16.020 -13.066 1.950 1.00 0.00 C ATOM 452 CG LEU A 34 -17.394 -12.413 1.794 1.00 0.00 C ATOM 453 CD1 LEU A 34 -18.489 -13.352 2.276 1.00 0.00 C ATOM 454 CD2 LEU A 34 -17.447 -11.095 2.553 1.00 0.00 C ATOM 0 H LEU A 34 -15.470 -10.696 1.536 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.980 -12.990 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -16.144 -14.147 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.649 -12.849 2.952 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.560 -12.207 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.460 -12.870 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.465 -14.270 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.328 -13.589 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.432 -10.644 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.260 -11.277 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.687 -10.419 2.161 1.00 0.00 H new ATOM 466 N ALA A 35 -15.839 -12.477 -1.314 1.00 0.00 N ATOM 467 CA ALA A 35 -16.170 -12.952 -2.652 1.00 0.00 C ATOM 468 C ALA A 35 -14.910 -13.188 -3.478 1.00 0.00 C ATOM 469 O ALA A 35 -14.837 -14.137 -4.257 1.00 0.00 O ATOM 470 CB ALA A 35 -17.085 -11.959 -3.353 1.00 0.00 C ATOM 0 H ALA A 35 -16.098 -11.507 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.692 -13.904 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -17.324 -12.326 -4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.004 -11.843 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -16.583 -10.995 -3.432 1.00 0.00 H new ATOM 476 N GLU A 36 -13.921 -12.317 -3.302 1.00 0.00 N ATOM 477 CA GLU A 36 -12.665 -12.431 -4.034 1.00 0.00 C ATOM 478 C GLU A 36 -11.520 -12.802 -3.095 1.00 0.00 C ATOM 479 O GLU A 36 -10.843 -11.930 -2.550 1.00 0.00 O ATOM 480 CB GLU A 36 -12.345 -11.117 -4.751 1.00 0.00 C ATOM 481 CG GLU A 36 -13.175 -10.889 -6.003 1.00 0.00 C ATOM 482 CD GLU A 36 -12.806 -11.837 -7.128 1.00 0.00 C ATOM 483 OE1 GLU A 36 -11.604 -12.138 -7.280 1.00 0.00 O ATOM 484 OE2 GLU A 36 -13.721 -12.279 -7.855 1.00 0.00 O ATOM 0 H GLU A 36 -13.965 -11.526 -2.660 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.777 -13.223 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.507 -10.288 -4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.288 -11.107 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.231 -11.011 -5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.042 -9.861 -6.341 1.00 0.00 H new ATOM 491 N ARG A 37 -11.311 -14.101 -2.912 1.00 0.00 N ATOM 492 CA ARG A 37 -10.251 -14.589 -2.038 1.00 0.00 C ATOM 493 C ARG A 37 -9.854 -16.015 -2.408 1.00 0.00 C ATOM 494 O ARG A 37 -10.711 -16.871 -2.626 1.00 0.00 O ATOM 495 CB ARG A 37 -10.700 -14.536 -0.577 1.00 0.00 C ATOM 496 CG ARG A 37 -11.166 -13.159 -0.133 1.00 0.00 C ATOM 497 CD ARG A 37 -11.481 -13.130 1.355 1.00 0.00 C ATOM 498 NE ARG A 37 -12.156 -14.348 1.795 1.00 0.00 N ATOM 499 CZ ARG A 37 -12.219 -14.736 3.064 1.00 0.00 C ATOM 500 NH1 ARG A 37 -11.650 -14.005 4.013 1.00 0.00 N ATOM 501 NH2 ARG A 37 -12.852 -15.857 3.386 1.00 0.00 N ATOM 0 H ARG A 37 -11.862 -14.835 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.382 -13.943 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.510 -15.250 -0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.874 -14.854 0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.394 -12.423 -0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.053 -12.874 -0.699 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.557 -13.004 1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.109 -12.267 1.576 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.604 -14.933 1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.163 -13.143 3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.700 -14.305 4.987 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.291 -16.422 2.659 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.900 -16.154 4.361 1.00 0.00 H new ATOM 515 N ASN A 38 -8.550 -16.262 -2.477 1.00 0.00 N ATOM 516 CA ASN A 38 -8.040 -17.585 -2.821 1.00 0.00 C ATOM 517 C ASN A 38 -7.407 -18.257 -1.607 1.00 0.00 C ATOM 518 O ASN A 38 -6.336 -18.854 -1.702 1.00 0.00 O ATOM 519 CB ASN A 38 -7.015 -17.480 -3.952 1.00 0.00 C ATOM 520 CG ASN A 38 -7.658 -17.543 -5.324 1.00 0.00 C ATOM 521 OD1 ASN A 38 -8.598 -18.306 -5.546 1.00 0.00 O ATOM 522 ND2 ASN A 38 -7.153 -16.738 -6.252 1.00 0.00 N ATOM 0 H ASN A 38 -7.827 -15.564 -2.299 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.879 -18.195 -3.155 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.465 -16.544 -3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.289 -18.288 -3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.545 -16.736 -7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.373 -16.122 -6.023 1.00 0.00 H new ATOM 529 N GLY A 39 -8.079 -18.155 -0.463 1.00 0.00 N ATOM 530 CA GLY A 39 -7.568 -18.758 0.753 1.00 0.00 C ATOM 531 C GLY A 39 -7.685 -17.836 1.951 1.00 0.00 C ATOM 532 O GLY A 39 -8.787 -17.570 2.432 1.00 0.00 O ATOM 0 H GLY A 39 -8.968 -17.665 -0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.112 -19.681 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.522 -19.030 0.608 1.00 0.00 H new ATOM 536 N ARG A 40 -6.547 -17.350 2.435 1.00 0.00 N ATOM 537 CA ARG A 40 -6.527 -16.455 3.586 1.00 0.00 C ATOM 538 C ARG A 40 -5.375 -15.460 3.481 1.00 0.00 C ATOM 539 O ARG A 40 -4.333 -15.761 2.897 1.00 0.00 O ATOM 540 CB ARG A 40 -6.404 -17.259 4.882 1.00 0.00 C ATOM 541 CG ARG A 40 -7.601 -18.154 5.158 1.00 0.00 C ATOM 542 CD ARG A 40 -7.315 -19.131 6.288 1.00 0.00 C ATOM 543 NE ARG A 40 -6.124 -19.935 6.029 1.00 0.00 N ATOM 544 CZ ARG A 40 -5.524 -20.679 6.951 1.00 0.00 C ATOM 545 NH1 ARG A 40 -6.002 -20.721 8.187 1.00 0.00 N ATOM 546 NH2 ARG A 40 -4.444 -21.383 6.638 1.00 0.00 N ATOM 0 H ARG A 40 -5.627 -17.561 2.048 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.465 -15.899 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.505 -17.873 4.835 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.276 -16.570 5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.464 -17.540 5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.860 -18.706 4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.185 -18.580 7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.174 -19.789 6.424 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.731 -19.925 5.088 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.832 -20.181 8.431 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.540 -21.293 8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.073 -21.353 5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.984 -21.954 7.347 1.00 0.00 H new ATOM 560 N ILE A 41 -5.569 -14.275 4.049 1.00 0.00 N ATOM 561 CA ILE A 41 -4.547 -13.237 4.019 1.00 0.00 C ATOM 562 C ILE A 41 -3.638 -13.326 5.241 1.00 0.00 C ATOM 563 O ILE A 41 -4.085 -13.665 6.336 1.00 0.00 O ATOM 564 CB ILE A 41 -5.173 -11.831 3.961 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.454 -11.854 3.125 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.179 -10.831 3.390 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.273 -12.479 1.759 1.00 0.00 C ATOM 0 H ILE A 41 -6.425 -14.010 4.536 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.958 -13.401 3.117 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.428 -11.521 4.974 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.223 -12.404 3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.817 -10.834 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.637 -9.842 3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.292 -10.798 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.895 -11.135 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.221 -12.461 1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.528 -11.916 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.939 -13.511 1.872 1.00 0.00 H new ATOM 579 N ILE A 42 -2.360 -13.017 5.044 1.00 0.00 N ATOM 580 CA ILE A 42 -1.389 -13.059 6.130 1.00 0.00 C ATOM 581 C ILE A 42 -0.820 -11.673 6.413 1.00 0.00 C ATOM 582 O ILE A 42 -0.557 -11.321 7.563 1.00 0.00 O ATOM 583 CB ILE A 42 -0.230 -14.022 5.812 1.00 0.00 C ATOM 584 CG1 ILE A 42 0.257 -13.812 4.377 1.00 0.00 C ATOM 585 CG2 ILE A 42 -0.667 -15.464 6.023 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.599 -14.450 4.095 1.00 0.00 C ATOM 0 H ILE A 42 -1.974 -12.735 4.143 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.918 -13.419 7.012 1.00 0.00 H new ATOM 0 HB ILE A 42 0.596 -13.810 6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.482 -14.220 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.323 -12.743 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.163 -16.133 5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.971 -15.604 7.060 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.507 -15.690 5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.881 -14.261 3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.351 -14.025 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.533 -15.525 4.263 1.00 0.00 H new ATOM 598 N SER A 43 -0.634 -10.889 5.356 1.00 0.00 N ATOM 599 CA SER A 43 -0.094 -9.541 5.490 1.00 0.00 C ATOM 600 C SER A 43 -0.213 -8.775 4.175 1.00 0.00 C ATOM 601 O SER A 43 -0.553 -9.347 3.139 1.00 0.00 O ATOM 602 CB SER A 43 1.370 -9.596 5.929 1.00 0.00 C ATOM 603 OG SER A 43 1.712 -8.464 6.710 1.00 0.00 O ATOM 0 H SER A 43 -0.849 -11.164 4.398 1.00 0.00 H new ATOM 0 HA SER A 43 -0.675 -9.018 6.250 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.546 -10.505 6.504 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.014 -9.644 5.051 1.00 0.00 H new ATOM 0 HG SER A 43 0.968 -7.826 6.705 1.00 0.00 H new ATOM 609 N TYR A 44 0.069 -7.478 4.227 1.00 0.00 N ATOM 610 CA TYR A 44 -0.009 -6.632 3.042 1.00 0.00 C ATOM 611 C TYR A 44 1.297 -5.871 2.829 1.00 0.00 C ATOM 612 O TYR A 44 2.059 -5.645 3.770 1.00 0.00 O ATOM 613 CB TYR A 44 -1.171 -5.646 3.169 1.00 0.00 C ATOM 614 CG TYR A 44 -2.525 -6.314 3.251 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.872 -7.093 4.347 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.458 -6.164 2.232 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.108 -7.706 4.426 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.697 -6.771 2.303 1.00 0.00 C ATOM 619 CZ TYR A 44 -5.017 -7.542 3.402 1.00 0.00 C ATOM 620 OH TYR A 44 -6.249 -8.149 3.477 1.00 0.00 O ATOM 0 H TYR A 44 0.353 -6.990 5.076 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.179 -7.275 2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.022 -5.035 4.059 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.159 -4.971 2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.163 -7.222 5.152 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.210 -5.563 1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.361 -8.310 5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.411 -6.643 1.503 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.410 -8.449 4.396 1.00 0.00 H new ATOM 630 N THR A 45 1.549 -5.478 1.584 1.00 0.00 N ATOM 631 CA THR A 45 2.761 -4.743 1.245 1.00 0.00 C ATOM 632 C THR A 45 2.433 -3.337 0.757 1.00 0.00 C ATOM 633 O THR A 45 1.847 -3.161 -0.311 1.00 0.00 O ATOM 634 CB THR A 45 3.576 -5.474 0.162 1.00 0.00 C ATOM 635 OG1 THR A 45 3.967 -6.769 0.632 1.00 0.00 O ATOM 636 CG2 THR A 45 4.812 -4.673 -0.218 1.00 0.00 C ATOM 0 H THR A 45 0.929 -5.657 0.794 1.00 0.00 H new ATOM 0 HA THR A 45 3.357 -4.678 2.155 1.00 0.00 H new ATOM 0 HB THR A 45 2.947 -5.584 -0.722 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.847 -7.427 -0.084 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.372 -5.209 -0.984 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.510 -3.699 -0.604 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.441 -4.536 0.661 1.00 0.00 H new ATOM 644 N VAL A 46 2.817 -2.337 1.545 1.00 0.00 N ATOM 645 CA VAL A 46 2.565 -0.946 1.191 1.00 0.00 C ATOM 646 C VAL A 46 3.707 -0.375 0.358 1.00 0.00 C ATOM 647 O VAL A 46 4.749 0.005 0.891 1.00 0.00 O ATOM 648 CB VAL A 46 2.374 -0.073 2.446 1.00 0.00 C ATOM 649 CG1 VAL A 46 2.142 1.379 2.057 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.223 -0.599 3.290 1.00 0.00 C ATOM 0 H VAL A 46 3.304 -2.465 2.432 1.00 0.00 H new ATOM 0 HA VAL A 46 1.647 -0.931 0.603 1.00 0.00 H new ATOM 0 HB VAL A 46 3.284 -0.122 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.009 1.980 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.002 1.748 1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.248 1.451 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.102 0.029 4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.304 -0.582 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.437 -1.622 3.600 1.00 0.00 H new ATOM 660 N VAL A 47 3.504 -0.318 -0.955 1.00 0.00 N ATOM 661 CA VAL A 47 4.516 0.207 -1.863 1.00 0.00 C ATOM 662 C VAL A 47 4.314 1.699 -2.107 1.00 0.00 C ATOM 663 O VAL A 47 3.337 2.110 -2.733 1.00 0.00 O ATOM 664 CB VAL A 47 4.494 -0.530 -3.215 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.743 -0.207 -4.021 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.360 -2.030 -3.002 1.00 0.00 C ATOM 0 H VAL A 47 2.647 -0.629 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 47 5.483 0.047 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 47 3.628 -0.188 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.709 -0.737 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.790 0.866 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.626 -0.519 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.346 -2.535 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.205 -2.391 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.433 -2.240 -2.469 1.00 0.00 H new ATOM 676 N PHE A 48 5.246 2.505 -1.609 1.00 0.00 N ATOM 677 CA PHE A 48 5.171 3.952 -1.771 1.00 0.00 C ATOM 678 C PHE A 48 6.401 4.482 -2.502 1.00 0.00 C ATOM 679 O PHE A 48 7.534 4.152 -2.151 1.00 0.00 O ATOM 680 CB PHE A 48 5.040 4.634 -0.408 1.00 0.00 C ATOM 681 CG PHE A 48 6.165 4.311 0.534 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.323 3.028 1.031 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.064 5.292 0.921 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.357 2.729 1.898 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.100 4.998 1.788 1.00 0.00 C ATOM 686 CZ PHE A 48 8.247 3.715 2.276 1.00 0.00 C ATOM 0 H PHE A 48 6.062 2.180 -1.090 1.00 0.00 H new ATOM 0 HA PHE A 48 4.289 4.180 -2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.997 5.713 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.097 4.336 0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.631 2.253 0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.954 6.297 0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.469 1.725 2.280 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.794 5.771 2.083 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.057 3.483 2.952 1.00 0.00 H new ATOM 696 N ARG A 49 6.170 5.305 -3.519 1.00 0.00 N ATOM 697 CA ARG A 49 7.258 5.879 -4.301 1.00 0.00 C ATOM 698 C ARG A 49 6.883 7.263 -4.821 1.00 0.00 C ATOM 699 O ARG A 49 5.712 7.545 -5.076 1.00 0.00 O ATOM 700 CB ARG A 49 7.613 4.961 -5.473 1.00 0.00 C ATOM 701 CG ARG A 49 8.444 5.641 -6.548 1.00 0.00 C ATOM 702 CD ARG A 49 8.648 4.733 -7.751 1.00 0.00 C ATOM 703 NE ARG A 49 7.414 4.540 -8.507 1.00 0.00 N ATOM 704 CZ ARG A 49 6.872 5.475 -9.280 1.00 0.00 C ATOM 705 NH1 ARG A 49 7.453 6.661 -9.399 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.746 5.224 -9.937 1.00 0.00 N ATOM 0 H ARG A 49 5.238 5.590 -3.821 1.00 0.00 H new ATOM 0 HA ARG A 49 8.126 5.977 -3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.160 4.097 -5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.693 4.585 -5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.951 6.560 -6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.413 5.924 -6.136 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.409 5.161 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.023 3.766 -7.416 1.00 0.00 H new ATOM 0 HE ARG A 49 6.942 3.638 -8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.319 6.858 -8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.034 7.377 -9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.296 4.313 -9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.331 5.942 -10.530 1.00 0.00 H new ATOM 720 N ASP A 50 7.884 8.123 -4.974 1.00 0.00 N ATOM 721 CA ASP A 50 7.659 9.478 -5.464 1.00 0.00 C ATOM 722 C ASP A 50 7.495 9.488 -6.981 1.00 0.00 C ATOM 723 O ASP A 50 8.430 9.175 -7.718 1.00 0.00 O ATOM 724 CB ASP A 50 8.819 10.389 -5.058 1.00 0.00 C ATOM 725 CG ASP A 50 9.440 9.982 -3.736 1.00 0.00 C ATOM 726 OD1 ASP A 50 9.777 8.790 -3.582 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.587 10.855 -2.856 1.00 0.00 O ATOM 0 H ASP A 50 8.859 7.906 -4.766 1.00 0.00 H new ATOM 0 HA ASP A 50 6.739 9.852 -5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.582 10.369 -5.836 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.463 11.417 -4.987 1.00 0.00 H new ATOM 732 N ILE A 51 6.301 9.848 -7.439 1.00 0.00 N ATOM 733 CA ILE A 51 6.015 9.898 -8.867 1.00 0.00 C ATOM 734 C ILE A 51 6.898 10.924 -9.569 1.00 0.00 C ATOM 735 O ILE A 51 6.903 11.018 -10.796 1.00 0.00 O ATOM 736 CB ILE A 51 4.537 10.241 -9.134 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.179 11.583 -8.494 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.634 9.137 -8.604 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.908 12.194 -9.041 1.00 0.00 C ATOM 0 H ILE A 51 5.516 10.109 -6.842 1.00 0.00 H new ATOM 0 HA ILE A 51 6.227 8.906 -9.266 1.00 0.00 H new ATOM 0 HB ILE A 51 4.386 10.322 -10.210 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.073 11.446 -7.418 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.003 12.280 -8.647 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.593 9.393 -8.800 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.876 8.198 -9.102 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.785 9.028 -7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.716 13.144 -8.541 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.017 12.363 -10.112 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.073 11.516 -8.864 1.00 0.00 H new ATOM 751 N ASN A 52 7.645 11.691 -8.782 1.00 0.00 N ATOM 752 CA ASN A 52 8.534 12.710 -9.328 1.00 0.00 C ATOM 753 C ASN A 52 9.979 12.222 -9.340 1.00 0.00 C ATOM 754 O ASN A 52 10.841 12.816 -9.988 1.00 0.00 O ATOM 755 CB ASN A 52 8.427 14.000 -8.512 1.00 0.00 C ATOM 756 CG ASN A 52 6.997 14.490 -8.391 1.00 0.00 C ATOM 757 OD1 ASN A 52 6.273 13.965 -7.409 1.00 0.00 O flip ATOM 758 ND2 ASN A 52 6.549 15.331 -9.171 1.00 0.00 N flip ATOM 0 H ASN A 52 7.652 11.626 -7.764 1.00 0.00 H new ATOM 0 HA ASN A 52 8.228 12.910 -10.355 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.836 13.832 -7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.035 14.774 -8.980 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.142 15.707 -9.911 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.585 15.651 -9.077 1.00 0.00 H new ATOM 765 N SER A 53 10.237 11.135 -8.619 1.00 0.00 N ATOM 766 CA SER A 53 11.578 10.567 -8.544 1.00 0.00 C ATOM 767 C SER A 53 11.548 9.065 -8.805 1.00 0.00 C ATOM 768 O SER A 53 10.485 8.483 -9.022 1.00 0.00 O ATOM 769 CB SER A 53 12.197 10.846 -7.173 1.00 0.00 C ATOM 770 OG SER A 53 12.888 12.083 -7.167 1.00 0.00 O ATOM 0 H SER A 53 9.535 10.630 -8.078 1.00 0.00 H new ATOM 0 HA SER A 53 12.189 11.039 -9.313 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.415 10.859 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.884 10.041 -6.910 1.00 0.00 H new ATOM 0 HG SER A 53 13.273 12.238 -6.279 1.00 0.00 H new ATOM 776 N GLN A 54 12.722 8.442 -8.782 1.00 0.00 N ATOM 777 CA GLN A 54 12.831 7.007 -9.016 1.00 0.00 C ATOM 778 C GLN A 54 13.129 6.265 -7.718 1.00 0.00 C ATOM 779 O GLN A 54 13.666 5.158 -7.735 1.00 0.00 O ATOM 780 CB GLN A 54 13.925 6.719 -10.045 1.00 0.00 C ATOM 781 CG GLN A 54 15.313 7.145 -9.594 1.00 0.00 C ATOM 782 CD GLN A 54 15.628 8.583 -9.955 1.00 0.00 C ATOM 783 OE1 GLN A 54 15.145 9.517 -9.314 1.00 0.00 O ATOM 784 NE2 GLN A 54 16.443 8.769 -10.987 1.00 0.00 N ATOM 0 H GLN A 54 13.611 8.909 -8.604 1.00 0.00 H new ATOM 0 HA GLN A 54 11.875 6.654 -9.403 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.935 5.651 -10.263 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.681 7.232 -10.975 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.395 7.019 -8.514 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.056 6.489 -10.048 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.820 7.966 -11.490 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.691 9.715 -11.277 1.00 0.00 H new ATOM 793 N GLN A 55 12.777 6.882 -6.595 1.00 0.00 N ATOM 794 CA GLN A 55 13.008 6.279 -5.287 1.00 0.00 C ATOM 795 C GLN A 55 11.859 5.352 -4.905 1.00 0.00 C ATOM 796 O GLN A 55 10.811 5.805 -4.446 1.00 0.00 O ATOM 797 CB GLN A 55 13.179 7.365 -4.224 1.00 0.00 C ATOM 798 CG GLN A 55 13.295 6.819 -2.810 1.00 0.00 C ATOM 799 CD GLN A 55 14.528 5.960 -2.615 1.00 0.00 C ATOM 800 OE1 GLN A 55 15.608 6.465 -2.304 1.00 0.00 O ATOM 801 NE2 GLN A 55 14.376 4.654 -2.797 1.00 0.00 N ATOM 0 H GLN A 55 12.331 7.799 -6.564 1.00 0.00 H new ATOM 0 HA GLN A 55 13.923 5.689 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.070 7.949 -4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.330 8.047 -4.273 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.321 7.650 -2.105 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.407 6.231 -2.578 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.463 4.278 -3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.172 4.027 -2.680 1.00 0.00 H new ATOM 810 N GLU A 56 12.064 4.052 -5.097 1.00 0.00 N ATOM 811 CA GLU A 56 11.044 3.062 -4.772 1.00 0.00 C ATOM 812 C GLU A 56 11.172 2.605 -3.322 1.00 0.00 C ATOM 813 O GLU A 56 12.278 2.449 -2.804 1.00 0.00 O ATOM 814 CB GLU A 56 11.153 1.859 -5.710 1.00 0.00 C ATOM 815 CG GLU A 56 9.827 1.164 -5.967 1.00 0.00 C ATOM 816 CD GLU A 56 9.915 0.125 -7.067 1.00 0.00 C ATOM 817 OE1 GLU A 56 10.515 0.427 -8.121 1.00 0.00 O ATOM 818 OE2 GLU A 56 9.385 -0.989 -6.876 1.00 0.00 O ATOM 0 H GLU A 56 12.926 3.661 -5.476 1.00 0.00 H new ATOM 0 HA GLU A 56 10.067 3.527 -4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.571 2.188 -6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.854 1.140 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.488 0.686 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.077 1.908 -6.235 1.00 0.00 H new ATOM 825 N LEU A 57 10.033 2.391 -2.673 1.00 0.00 N ATOM 826 CA LEU A 57 10.015 1.951 -1.282 1.00 0.00 C ATOM 827 C LEU A 57 8.780 1.104 -0.994 1.00 0.00 C ATOM 828 O LEU A 57 7.733 1.287 -1.614 1.00 0.00 O ATOM 829 CB LEU A 57 10.049 3.160 -0.345 1.00 0.00 C ATOM 830 CG LEU A 57 11.124 4.207 -0.638 1.00 0.00 C ATOM 831 CD1 LEU A 57 10.808 5.511 0.078 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.496 3.692 -0.230 1.00 0.00 C ATOM 0 H LEU A 57 9.109 2.515 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 57 10.900 1.339 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.075 3.649 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.189 2.800 0.674 1.00 0.00 H new ATOM 0 HG LEU A 57 11.134 4.398 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.584 6.244 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.844 5.889 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.769 5.336 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.248 4.451 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.499 3.471 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.725 2.785 -0.789 1.00 0.00 H new ATOM 844 N GLN A 58 8.911 0.179 -0.049 1.00 0.00 N ATOM 845 CA GLN A 58 7.804 -0.695 0.322 1.00 0.00 C ATOM 846 C GLN A 58 7.844 -1.021 1.812 1.00 0.00 C ATOM 847 O GLN A 58 8.875 -0.863 2.464 1.00 0.00 O ATOM 848 CB GLN A 58 7.850 -1.986 -0.496 1.00 0.00 C ATOM 849 CG GLN A 58 7.708 -1.763 -1.993 1.00 0.00 C ATOM 850 CD GLN A 58 8.402 -2.833 -2.812 1.00 0.00 C ATOM 851 OE1 GLN A 58 8.782 -3.881 -2.289 1.00 0.00 O ATOM 852 NE2 GLN A 58 8.571 -2.575 -4.103 1.00 0.00 N ATOM 0 H GLN A 58 9.772 0.015 0.473 1.00 0.00 H new ATOM 0 HA GLN A 58 6.872 -0.171 0.108 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.793 -2.496 -0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.053 -2.649 -0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.650 -1.740 -2.254 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.121 -0.788 -2.252 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.240 -1.693 -4.494 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.032 -3.259 -4.704 1.00 0.00 H new ATOM 861 N ASN A 59 6.714 -1.477 2.343 1.00 0.00 N ATOM 862 CA ASN A 59 6.619 -1.825 3.756 1.00 0.00 C ATOM 863 C ASN A 59 5.694 -3.020 3.961 1.00 0.00 C ATOM 864 O ASN A 59 5.028 -3.470 3.028 1.00 0.00 O ATOM 865 CB ASN A 59 6.113 -0.629 4.564 1.00 0.00 C ATOM 866 CG ASN A 59 7.197 0.403 4.811 1.00 0.00 C ATOM 867 OD1 ASN A 59 7.021 1.586 4.519 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.325 -0.042 5.351 1.00 0.00 N ATOM 0 H ASN A 59 5.851 -1.614 1.816 1.00 0.00 H new ATOM 0 HA ASN A 59 7.615 -2.096 4.106 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.284 -0.161 4.034 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.724 -0.979 5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.090 0.606 5.540 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.427 -1.031 5.577 1.00 0.00 H new ATOM 875 N ILE A 60 5.657 -3.529 5.188 1.00 0.00 N ATOM 876 CA ILE A 60 4.812 -4.671 5.516 1.00 0.00 C ATOM 877 C ILE A 60 4.174 -4.505 6.891 1.00 0.00 C ATOM 878 O ILE A 60 4.815 -4.042 7.834 1.00 0.00 O ATOM 879 CB ILE A 60 5.610 -5.988 5.488 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.348 -6.135 4.156 1.00 0.00 C ATOM 881 CG2 ILE A 60 4.684 -7.173 5.720 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.328 -7.287 4.132 1.00 0.00 C ATOM 0 H ILE A 60 6.202 -3.169 5.971 1.00 0.00 H new ATOM 0 HA ILE A 60 4.030 -4.714 4.758 1.00 0.00 H new ATOM 0 HB ILE A 60 6.348 -5.965 6.290 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.618 -6.273 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.882 -5.209 3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.262 -8.097 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.200 -7.072 6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.926 -7.201 4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.814 -7.331 3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.081 -7.141 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.796 -8.221 4.314 1.00 0.00 H new ATOM 894 N THR A 61 2.905 -4.888 6.998 1.00 0.00 N ATOM 895 CA THR A 61 2.179 -4.783 8.257 1.00 0.00 C ATOM 896 C THR A 61 1.035 -5.789 8.318 1.00 0.00 C ATOM 897 O THR A 61 0.265 -5.927 7.367 1.00 0.00 O ATOM 898 CB THR A 61 1.612 -3.365 8.462 1.00 0.00 C ATOM 899 OG1 THR A 61 0.853 -3.312 9.675 1.00 0.00 O ATOM 900 CG2 THR A 61 0.732 -2.959 7.289 1.00 0.00 C ATOM 0 H THR A 61 2.359 -5.274 6.227 1.00 0.00 H new ATOM 0 HA THR A 61 2.892 -5.000 9.052 1.00 0.00 H new ATOM 0 HB THR A 61 2.448 -2.669 8.526 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.497 -2.407 9.799 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.343 -1.955 7.456 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.320 -2.972 6.371 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.099 -3.659 7.198 1.00 0.00 H new ATOM 908 N THR A 62 0.928 -6.490 9.442 1.00 0.00 N ATOM 909 CA THR A 62 -0.122 -7.483 9.627 1.00 0.00 C ATOM 910 C THR A 62 -1.494 -6.824 9.712 1.00 0.00 C ATOM 911 O THR A 62 -2.517 -7.506 9.775 1.00 0.00 O ATOM 912 CB THR A 62 0.114 -8.320 10.899 1.00 0.00 C ATOM 913 OG1 THR A 62 0.505 -7.467 11.980 1.00 0.00 O ATOM 914 CG2 THR A 62 1.185 -9.373 10.664 1.00 0.00 C ATOM 0 H THR A 62 1.557 -6.388 10.239 1.00 0.00 H new ATOM 0 HA THR A 62 -0.092 -8.140 8.758 1.00 0.00 H new ATOM 0 HB THR A 62 -0.818 -8.825 11.153 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.652 -8.006 12.785 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.334 -9.951 11.576 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.871 -10.039 9.860 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.120 -8.886 10.387 1.00 0.00 H new ATOM 922 N ASP A 63 -1.508 -5.496 9.713 1.00 0.00 N ATOM 923 CA ASP A 63 -2.755 -4.745 9.789 1.00 0.00 C ATOM 924 C ASP A 63 -3.136 -4.185 8.422 1.00 0.00 C ATOM 925 O ASP A 63 -2.299 -4.084 7.524 1.00 0.00 O ATOM 926 CB ASP A 63 -2.629 -3.606 10.803 1.00 0.00 C ATOM 927 CG ASP A 63 -2.947 -4.052 12.217 1.00 0.00 C ATOM 928 OD1 ASP A 63 -2.337 -5.039 12.678 1.00 0.00 O ATOM 929 OD2 ASP A 63 -3.806 -3.415 12.861 1.00 0.00 O ATOM 0 H ASP A 63 -0.670 -4.917 9.662 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.541 -5.426 10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.616 -3.205 10.771 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.302 -2.796 10.521 1.00 0.00 H new ATOM 934 N THR A 64 -4.406 -3.823 8.270 1.00 0.00 N ATOM 935 CA THR A 64 -4.899 -3.276 7.012 1.00 0.00 C ATOM 936 C THR A 64 -4.571 -1.792 6.892 1.00 0.00 C ATOM 937 O THR A 64 -5.151 -1.083 6.069 1.00 0.00 O ATOM 938 CB THR A 64 -6.422 -3.466 6.875 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.049 -3.336 8.156 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.746 -4.829 6.282 1.00 0.00 C ATOM 0 H THR A 64 -5.112 -3.899 9.002 1.00 0.00 H new ATOM 0 HA THR A 64 -4.399 -3.822 6.212 1.00 0.00 H new ATOM 0 HB THR A 64 -6.803 -2.696 6.205 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.017 -3.456 8.060 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.827 -4.940 6.195 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.292 -4.914 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.352 -5.611 6.931 1.00 0.00 H new ATOM 948 N ARG A 65 -3.637 -1.328 7.716 1.00 0.00 N ATOM 949 CA ARG A 65 -3.232 0.072 7.701 1.00 0.00 C ATOM 950 C ARG A 65 -1.715 0.201 7.810 1.00 0.00 C ATOM 951 O ARG A 65 -1.019 -0.770 8.107 1.00 0.00 O ATOM 952 CB ARG A 65 -3.902 0.831 8.848 1.00 0.00 C ATOM 953 CG ARG A 65 -3.328 0.498 10.216 1.00 0.00 C ATOM 954 CD ARG A 65 -3.623 1.596 11.226 1.00 0.00 C ATOM 955 NE ARG A 65 -3.348 1.169 12.595 1.00 0.00 N ATOM 956 CZ ARG A 65 -3.599 1.917 13.663 1.00 0.00 C ATOM 957 NH1 ARG A 65 -4.129 3.124 13.521 1.00 0.00 N ATOM 958 NH2 ARG A 65 -3.320 1.459 14.877 1.00 0.00 N ATOM 0 H ARG A 65 -3.147 -1.902 8.402 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.549 0.505 6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.801 1.902 8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.969 0.607 8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.748 -0.444 10.568 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.250 0.357 10.135 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.021 2.474 10.993 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.668 1.894 11.142 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.941 0.245 12.739 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.345 3.480 12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.321 3.697 14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.912 0.531 14.991 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.513 2.035 15.696 1.00 0.00 H new ATOM 972 N PHE A 66 -1.210 1.405 7.567 1.00 0.00 N ATOM 973 CA PHE A 66 0.224 1.661 7.636 1.00 0.00 C ATOM 974 C PHE A 66 0.512 3.159 7.597 1.00 0.00 C ATOM 975 O PHE A 66 -0.354 3.961 7.246 1.00 0.00 O ATOM 976 CB PHE A 66 0.944 0.962 6.481 1.00 0.00 C ATOM 977 CG PHE A 66 2.435 0.903 6.652 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.012 -0.018 7.512 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.261 1.769 5.953 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.383 -0.075 7.672 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.633 1.717 6.108 1.00 0.00 C ATOM 982 CZ PHE A 66 5.195 0.795 6.970 1.00 0.00 C ATOM 0 H PHE A 66 -1.772 2.219 7.320 1.00 0.00 H new ATOM 0 HA PHE A 66 0.594 1.262 8.581 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.557 -0.052 6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.713 1.482 5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.382 -0.700 8.064 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.827 2.493 5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.819 -0.798 8.345 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.265 2.396 5.556 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.267 0.754 7.095 1.00 0.00 H new ATOM 992 N THR A 67 1.736 3.530 7.961 1.00 0.00 N ATOM 993 CA THR A 67 2.139 4.931 7.969 1.00 0.00 C ATOM 994 C THR A 67 3.539 5.104 7.392 1.00 0.00 C ATOM 995 O THR A 67 4.530 4.726 8.017 1.00 0.00 O ATOM 996 CB THR A 67 2.108 5.515 9.394 1.00 0.00 C ATOM 997 OG1 THR A 67 0.837 5.258 10.002 1.00 0.00 O ATOM 998 CG2 THR A 67 2.370 7.013 9.370 1.00 0.00 C ATOM 0 H THR A 67 2.465 2.880 8.254 1.00 0.00 H new ATOM 0 HA THR A 67 1.424 5.469 7.347 1.00 0.00 H new ATOM 0 HB THR A 67 2.893 5.034 9.977 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.826 5.631 10.908 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.343 7.403 10.387 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.350 7.204 8.934 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.604 7.507 8.772 1.00 0.00 H new ATOM 1006 N LEU A 68 3.613 5.677 6.196 1.00 0.00 N ATOM 1007 CA LEU A 68 4.893 5.901 5.533 1.00 0.00 C ATOM 1008 C LEU A 68 5.783 6.821 6.364 1.00 0.00 C ATOM 1009 O LEU A 68 5.356 7.360 7.386 1.00 0.00 O ATOM 1010 CB LEU A 68 4.673 6.504 4.145 1.00 0.00 C ATOM 1011 CG LEU A 68 4.020 5.587 3.111 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.334 4.130 3.415 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.515 5.812 3.073 1.00 0.00 C ATOM 0 H LEU A 68 2.802 5.995 5.665 1.00 0.00 H new ATOM 0 HA LEU A 68 5.393 4.938 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.055 7.396 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.637 6.829 3.755 1.00 0.00 H new ATOM 0 HG LEU A 68 4.429 5.829 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.861 3.492 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.413 3.978 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.954 3.874 4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.067 5.151 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.090 5.598 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.309 6.849 2.807 1.00 0.00 H new ATOM 1025 N THR A 69 7.023 6.998 5.918 1.00 0.00 N ATOM 1026 CA THR A 69 7.973 7.852 6.619 1.00 0.00 C ATOM 1027 C THR A 69 9.112 8.278 5.700 1.00 0.00 C ATOM 1028 O THR A 69 9.266 7.748 4.600 1.00 0.00 O ATOM 1029 CB THR A 69 8.561 7.144 7.854 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.381 6.045 7.443 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.454 6.643 8.769 1.00 0.00 C ATOM 0 H THR A 69 7.393 6.561 5.074 1.00 0.00 H new ATOM 0 HA THR A 69 7.423 8.735 6.944 1.00 0.00 H new ATOM 0 HB THR A 69 9.167 7.864 8.404 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.753 5.601 8.233 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.894 6.147 9.634 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.849 7.486 9.103 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.825 5.937 8.226 1.00 0.00 H new ATOM 1039 N GLY A 70 9.910 9.237 6.159 1.00 0.00 N ATOM 1040 CA GLY A 70 11.026 9.717 5.365 1.00 0.00 C ATOM 1041 C GLY A 70 10.597 10.195 3.992 1.00 0.00 C ATOM 1042 O GLY A 70 11.221 9.856 2.985 1.00 0.00 O ATOM 0 H GLY A 70 9.804 9.690 7.067 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.519 10.533 5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.760 8.919 5.256 1.00 0.00 H new ATOM 1046 N LEU A 71 9.530 10.985 3.949 1.00 0.00 N ATOM 1047 CA LEU A 71 9.017 11.510 2.688 1.00 0.00 C ATOM 1048 C LEU A 71 9.183 13.025 2.622 1.00 0.00 C ATOM 1049 O LEU A 71 9.472 13.674 3.627 1.00 0.00 O ATOM 1050 CB LEU A 71 7.542 11.139 2.521 1.00 0.00 C ATOM 1051 CG LEU A 71 7.144 9.741 2.995 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.632 9.631 3.119 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.682 8.682 2.045 1.00 0.00 C ATOM 0 H LEU A 71 9.003 11.276 4.772 1.00 0.00 H new ATOM 0 HA LEU A 71 9.591 11.064 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.941 11.869 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.282 11.231 1.466 1.00 0.00 H new ATOM 0 HG LEU A 71 7.582 9.573 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.367 8.629 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.272 10.365 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.173 9.820 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.389 7.693 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.274 8.847 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.769 8.746 2.007 1.00 0.00 H new ATOM 1065 N LYS A 72 8.996 13.584 1.430 1.00 0.00 N ATOM 1066 CA LYS A 72 9.121 15.023 1.232 1.00 0.00 C ATOM 1067 C LYS A 72 7.757 15.702 1.300 1.00 0.00 C ATOM 1068 O LYS A 72 6.757 15.192 0.794 1.00 0.00 O ATOM 1069 CB LYS A 72 9.783 15.316 -0.117 1.00 0.00 C ATOM 1070 CG LYS A 72 10.520 16.644 -0.156 1.00 0.00 C ATOM 1071 CD LYS A 72 11.364 16.776 -1.413 1.00 0.00 C ATOM 1072 CE LYS A 72 10.523 17.201 -2.607 1.00 0.00 C ATOM 1073 NZ LYS A 72 9.972 16.030 -3.343 1.00 0.00 N ATOM 0 H LYS A 72 8.757 13.062 0.587 1.00 0.00 H new ATOM 0 HA LYS A 72 9.745 15.423 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.483 14.514 -0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.020 15.310 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.801 17.462 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.158 16.733 0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.156 17.506 -1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.849 15.824 -1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.704 17.834 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.131 17.802 -3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.420 15.967 -4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.166 15.160 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.945 16.144 -3.457 1.00 0.00 H new ATOM 1087 N PRO A 73 7.713 16.881 1.938 1.00 0.00 N ATOM 1088 CA PRO A 73 6.478 17.656 2.085 1.00 0.00 C ATOM 1089 C PRO A 73 6.001 18.244 0.761 1.00 0.00 C ATOM 1090 O PRO A 73 6.807 18.552 -0.118 1.00 0.00 O ATOM 1091 CB PRO A 73 6.873 18.772 3.055 1.00 0.00 C ATOM 1092 CG PRO A 73 8.345 18.922 2.881 1.00 0.00 C ATOM 1093 CD PRO A 73 8.867 17.548 2.565 1.00 0.00 C ATOM 0 HA PRO A 73 5.650 17.040 2.437 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.350 19.700 2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.620 18.511 4.083 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.574 19.621 2.076 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.807 19.316 3.786 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.723 17.588 1.891 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.194 17.025 3.464 1.00 0.00 H new ATOM 1101 N ASP A 74 4.689 18.397 0.626 1.00 0.00 N ATOM 1102 CA ASP A 74 4.105 18.950 -0.591 1.00 0.00 C ATOM 1103 C ASP A 74 4.597 18.195 -1.822 1.00 0.00 C ATOM 1104 O ASP A 74 4.910 18.796 -2.850 1.00 0.00 O ATOM 1105 CB ASP A 74 4.449 20.435 -0.718 1.00 0.00 C ATOM 1106 CG ASP A 74 3.785 21.083 -1.917 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.625 20.729 -2.216 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.424 21.945 -2.555 1.00 0.00 O ATOM 0 H ASP A 74 4.009 18.146 1.344 1.00 0.00 H new ATOM 0 HA ASP A 74 3.022 18.839 -0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.141 20.955 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.530 20.549 -0.799 1.00 0.00 H new ATOM 1113 N THR A 75 4.664 16.872 -1.710 1.00 0.00 N ATOM 1114 CA THR A 75 5.120 16.034 -2.812 1.00 0.00 C ATOM 1115 C THR A 75 4.250 14.789 -2.953 1.00 0.00 C ATOM 1116 O THR A 75 4.018 14.068 -1.982 1.00 0.00 O ATOM 1117 CB THR A 75 6.586 15.602 -2.621 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.462 16.686 -2.948 1.00 0.00 O ATOM 1119 CG2 THR A 75 6.914 14.398 -3.490 1.00 0.00 C ATOM 0 H THR A 75 4.408 16.358 -0.867 1.00 0.00 H new ATOM 0 HA THR A 75 5.041 16.634 -3.718 1.00 0.00 H new ATOM 0 HB THR A 75 6.726 15.324 -1.576 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.505 17.311 -2.194 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.955 14.112 -3.338 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.265 13.565 -3.218 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.758 14.652 -4.538 1.00 0.00 H new ATOM 1127 N THR A 76 3.771 14.543 -4.168 1.00 0.00 N ATOM 1128 CA THR A 76 2.926 13.385 -4.436 1.00 0.00 C ATOM 1129 C THR A 76 3.701 12.085 -4.254 1.00 0.00 C ATOM 1130 O THR A 76 4.829 11.952 -4.730 1.00 0.00 O ATOM 1131 CB THR A 76 2.347 13.430 -5.862 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.630 14.654 -6.062 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.422 12.248 -6.108 1.00 0.00 C ATOM 0 H THR A 76 3.953 15.130 -4.982 1.00 0.00 H new ATOM 0 HA THR A 76 2.106 13.419 -3.718 1.00 0.00 H new ATOM 0 HB THR A 76 3.175 13.376 -6.568 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.267 14.675 -6.972 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.025 12.301 -7.122 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.978 11.319 -5.985 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.599 12.276 -5.394 1.00 0.00 H new ATOM 1141 N TYR A 77 3.089 11.129 -3.565 1.00 0.00 N ATOM 1142 CA TYR A 77 3.723 9.839 -3.319 1.00 0.00 C ATOM 1143 C TYR A 77 2.808 8.693 -3.741 1.00 0.00 C ATOM 1144 O TYR A 77 1.800 8.418 -3.090 1.00 0.00 O ATOM 1145 CB TYR A 77 4.087 9.699 -1.840 1.00 0.00 C ATOM 1146 CG TYR A 77 5.452 10.251 -1.497 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.585 9.450 -1.568 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.608 11.574 -1.101 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.834 9.951 -1.254 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.853 12.083 -0.788 1.00 0.00 C ATOM 1151 CZ TYR A 77 7.963 11.268 -0.865 1.00 0.00 C ATOM 1152 OH TYR A 77 9.205 11.771 -0.552 1.00 0.00 O ATOM 0 H TYR A 77 2.155 11.223 -3.167 1.00 0.00 H new ATOM 0 HA TYR A 77 4.634 9.791 -3.916 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.336 10.212 -1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.051 8.645 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.488 8.419 -1.874 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.741 12.215 -1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.705 9.315 -1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.957 13.114 -0.484 1.00 0.00 H new ATOM 0 HH TYR A 77 9.867 11.427 -1.187 1.00 0.00 H new ATOM 1162 N ASP A 78 3.168 8.029 -4.833 1.00 0.00 N ATOM 1163 CA ASP A 78 2.382 6.911 -5.342 1.00 0.00 C ATOM 1164 C ASP A 78 2.424 5.732 -4.376 1.00 0.00 C ATOM 1165 O ASP A 78 3.344 4.915 -4.418 1.00 0.00 O ATOM 1166 CB ASP A 78 2.899 6.480 -6.716 1.00 0.00 C ATOM 1167 CG ASP A 78 2.233 5.212 -7.213 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.428 4.152 -6.581 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.515 5.279 -8.232 1.00 0.00 O ATOM 0 H ASP A 78 3.999 8.245 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 78 1.348 7.241 -5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.728 7.282 -7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.977 6.324 -6.663 1.00 0.00 H new ATOM 1174 N ILE A 79 1.423 5.651 -3.505 1.00 0.00 N ATOM 1175 CA ILE A 79 1.347 4.572 -2.528 1.00 0.00 C ATOM 1176 C ILE A 79 0.264 3.567 -2.903 1.00 0.00 C ATOM 1177 O ILE A 79 -0.844 3.944 -3.287 1.00 0.00 O ATOM 1178 CB ILE A 79 1.063 5.112 -1.114 1.00 0.00 C ATOM 1179 CG1 ILE A 79 2.011 6.268 -0.786 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.200 4.000 -0.085 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.408 7.299 0.142 1.00 0.00 C ATOM 0 H ILE A 79 0.654 6.319 -3.456 1.00 0.00 H new ATOM 0 HA ILE A 79 2.317 4.075 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 79 0.040 5.486 -1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.916 5.867 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.310 6.756 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.996 4.397 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.489 3.205 -0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.213 3.599 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.136 8.088 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.519 7.728 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.135 6.825 1.084 1.00 0.00 H new ATOM 1193 N LYS A 80 0.589 2.284 -2.788 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.356 1.222 -3.112 1.00 0.00 C ATOM 1195 C LYS A 80 -0.301 0.109 -2.070 1.00 0.00 C ATOM 1196 O LYS A 80 0.422 0.208 -1.078 1.00 0.00 O ATOM 1197 CB LYS A 80 -0.057 0.651 -4.500 1.00 0.00 C ATOM 1198 CG LYS A 80 1.424 0.594 -4.828 1.00 0.00 C ATOM 1199 CD LYS A 80 1.676 0.821 -6.309 1.00 0.00 C ATOM 1200 CE LYS A 80 0.844 -0.119 -7.167 1.00 0.00 C ATOM 1201 NZ LYS A 80 1.259 -0.079 -8.597 1.00 0.00 N ATOM 0 H LYS A 80 1.501 1.954 -2.472 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.359 1.649 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.474 -0.354 -4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.564 1.258 -5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.955 1.348 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.826 -0.376 -4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.440 1.854 -6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.734 0.673 -6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.941 -1.137 -6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.209 0.152 -7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.668 -0.733 -9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.143 0.887 -8.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.256 -0.362 -8.677 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.070 -0.951 -2.302 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.107 -2.084 -1.385 1.00 0.00 C ATOM 1217 C VAL A 81 -1.438 -3.377 -2.121 1.00 0.00 C ATOM 1218 O VAL A 81 -1.895 -3.352 -3.264 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.141 -1.865 -0.264 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.499 -2.413 -0.676 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.667 -2.509 1.030 1.00 0.00 C ATOM 0 H VAL A 81 -1.675 -1.048 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.114 -2.166 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.245 -0.794 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.217 -2.249 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.840 -1.902 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.415 -3.481 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.409 -2.345 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.533 -3.580 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.718 -2.065 1.331 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.204 -4.505 -1.459 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.477 -5.809 -2.051 1.00 0.00 C ATOM 1233 C ARG A 82 -1.554 -6.889 -0.976 1.00 0.00 C ATOM 1234 O ARG A 82 -0.709 -6.951 -0.084 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.394 -6.166 -3.072 1.00 0.00 C ATOM 1236 CG ARG A 82 0.955 -6.475 -2.445 1.00 0.00 C ATOM 1237 CD ARG A 82 2.051 -6.564 -3.496 1.00 0.00 C ATOM 1238 NE ARG A 82 1.950 -7.785 -4.290 1.00 0.00 N ATOM 1239 CZ ARG A 82 2.800 -8.103 -5.260 1.00 0.00 C ATOM 1240 NH1 ARG A 82 3.809 -7.294 -5.554 1.00 0.00 N ATOM 1241 NH2 ARG A 82 2.643 -9.233 -5.938 1.00 0.00 N ATOM 0 H ARG A 82 -0.826 -4.542 -0.512 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.441 -5.756 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.723 -7.029 -3.651 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.279 -5.338 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.206 -5.701 -1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.896 -7.416 -1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.993 -5.697 -4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.025 -6.529 -3.008 1.00 0.00 H new ATOM 0 HE ARG A 82 1.185 -8.429 -4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.934 -6.425 -5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.460 -7.541 -6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.869 -9.858 -5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.296 -9.476 -6.683 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.572 -7.737 -1.069 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.759 -8.815 -0.106 1.00 0.00 C ATOM 1257 C ALA A 83 -1.857 -10.002 -0.429 1.00 0.00 C ATOM 1258 O ALA A 83 -1.666 -10.349 -1.594 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.216 -9.250 -0.076 1.00 0.00 C ATOM 0 H ALA A 83 -3.280 -7.699 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.483 -8.440 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.340 -10.056 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.842 -8.405 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.511 -9.602 -1.065 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.305 -10.619 0.610 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.422 -11.767 0.435 1.00 0.00 C ATOM 1267 C TRP A 84 -1.035 -13.023 1.045 1.00 0.00 C ATOM 1268 O TRP A 84 -1.791 -12.949 2.015 1.00 0.00 O ATOM 1269 CB TRP A 84 0.941 -11.490 1.071 1.00 0.00 C ATOM 1270 CG TRP A 84 1.737 -10.452 0.340 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.423 -9.131 0.192 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.979 -10.650 -0.345 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.394 -8.496 -0.543 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.360 -9.405 -0.884 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.806 -11.756 -0.554 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.531 -9.240 -1.619 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.968 -11.591 -1.283 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.323 -10.340 -1.808 1.00 0.00 C ATOM 0 H TRP A 84 -1.453 -10.344 1.581 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.289 -11.932 -0.634 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.794 -11.166 2.101 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.513 -12.417 1.107 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.541 -8.656 0.594 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.395 -7.507 -0.794 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.542 -12.723 -0.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.805 -8.278 -2.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.614 -12.440 -1.451 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.239 -10.243 -2.372 1.00 0.00 H new ATOM 1289 N THR A 85 -0.706 -14.176 0.472 1.00 0.00 N ATOM 1290 CA THR A 85 -1.225 -15.448 0.959 1.00 0.00 C ATOM 1291 C THR A 85 -0.092 -16.399 1.328 1.00 0.00 C ATOM 1292 O THR A 85 1.066 -16.163 0.985 1.00 0.00 O ATOM 1293 CB THR A 85 -2.128 -16.125 -0.089 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.515 -16.054 -1.382 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.496 -15.462 -0.134 1.00 0.00 C ATOM 0 H THR A 85 -0.082 -14.255 -0.331 1.00 0.00 H new ATOM 0 HA THR A 85 -1.816 -15.228 1.848 1.00 0.00 H new ATOM 0 HB THR A 85 -2.257 -17.169 0.195 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.352 -16.960 -1.717 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.116 -15.957 -0.881 1.00 0.00 H new ATOM 0 HG22 THR A 85 -3.972 -15.543 0.843 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.382 -14.410 -0.396 1.00 0.00 H new ATOM 1303 N SER A 86 -0.434 -17.476 2.028 1.00 0.00 N ATOM 1304 CA SER A 86 0.556 -18.462 2.446 1.00 0.00 C ATOM 1305 C SER A 86 1.370 -18.954 1.253 1.00 0.00 C ATOM 1306 O SER A 86 2.503 -19.409 1.405 1.00 0.00 O ATOM 1307 CB SER A 86 -0.130 -19.645 3.132 1.00 0.00 C ATOM 1308 OG SER A 86 -0.899 -20.395 2.208 1.00 0.00 O ATOM 0 H SER A 86 -1.389 -17.688 2.318 1.00 0.00 H new ATOM 0 HA SER A 86 1.233 -17.983 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.621 -20.288 3.591 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.772 -19.282 3.934 1.00 0.00 H new ATOM 0 HG SER A 86 -1.326 -21.146 2.671 1.00 0.00 H new ATOM 1314 N LYS A 87 0.783 -18.859 0.065 1.00 0.00 N ATOM 1315 CA LYS A 87 1.452 -19.292 -1.156 1.00 0.00 C ATOM 1316 C LYS A 87 2.435 -18.232 -1.644 1.00 0.00 C ATOM 1317 O LYS A 87 3.631 -18.491 -1.765 1.00 0.00 O ATOM 1318 CB LYS A 87 0.422 -19.588 -2.249 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.321 -20.898 -2.046 1.00 0.00 C ATOM 1320 CD LYS A 87 -1.588 -20.700 -1.232 1.00 0.00 C ATOM 1321 CE LYS A 87 -2.531 -21.886 -1.371 1.00 0.00 C ATOM 1322 NZ LYS A 87 -2.963 -22.088 -2.782 1.00 0.00 N ATOM 0 H LYS A 87 -0.155 -18.486 -0.078 1.00 0.00 H new ATOM 0 HA LYS A 87 2.008 -20.202 -0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.300 -18.772 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.926 -19.612 -3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.574 -21.328 -3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.329 -21.612 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.329 -20.561 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.094 -19.791 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.036 -22.788 -1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.407 -21.729 -0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.869 -22.598 -2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.077 -21.164 -3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.245 -22.644 -3.289 1.00 0.00 H new ATOM 1336 N GLY A 88 1.921 -17.038 -1.921 1.00 0.00 N ATOM 1337 CA GLY A 88 2.768 -15.957 -2.390 1.00 0.00 C ATOM 1338 C GLY A 88 2.071 -14.611 -2.343 1.00 0.00 C ATOM 1339 O GLY A 88 1.531 -14.221 -1.308 1.00 0.00 O ATOM 0 H GLY A 88 0.933 -16.800 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.671 -15.917 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.083 -16.164 -3.413 1.00 0.00 H new ATOM 1343 N SER A 89 2.085 -13.900 -3.465 1.00 0.00 N ATOM 1344 CA SER A 89 1.454 -12.588 -3.546 1.00 0.00 C ATOM 1345 C SER A 89 0.487 -12.521 -4.725 1.00 0.00 C ATOM 1346 O SER A 89 0.371 -13.469 -5.501 1.00 0.00 O ATOM 1347 CB SER A 89 2.516 -11.495 -3.681 1.00 0.00 C ATOM 1348 OG SER A 89 3.477 -11.837 -4.665 1.00 0.00 O ATOM 0 H SER A 89 2.526 -14.210 -4.331 1.00 0.00 H new ATOM 0 HA SER A 89 0.891 -12.426 -2.627 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.039 -10.551 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.011 -11.344 -2.722 1.00 0.00 H new ATOM 0 HG SER A 89 4.144 -11.122 -4.733 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.206 -11.393 -4.851 1.00 0.00 N ATOM 1355 CA GLY A 90 -1.154 -11.223 -5.937 1.00 0.00 C ATOM 1356 C GLY A 90 -0.947 -9.922 -6.688 1.00 0.00 C ATOM 1357 O GLY A 90 0.177 -9.453 -6.862 1.00 0.00 O ATOM 0 H GLY A 90 -0.128 -10.595 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.061 -12.058 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.168 -11.252 -5.538 1.00 0.00 H new ATOM 1361 N PRO A 91 -2.053 -9.319 -7.149 1.00 0.00 N ATOM 1362 CA PRO A 91 -2.014 -8.057 -7.894 1.00 0.00 C ATOM 1363 C PRO A 91 -1.618 -6.876 -7.014 1.00 0.00 C ATOM 1364 O PRO A 91 -1.402 -7.030 -5.812 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.452 -7.895 -8.392 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.279 -8.665 -7.420 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.427 -9.822 -6.978 1.00 0.00 C ATOM 0 HA PRO A 91 -1.272 -8.077 -8.692 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.746 -6.846 -8.418 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.567 -8.283 -9.404 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.564 -8.043 -6.571 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.202 -9.014 -7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.628 -10.097 -5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.608 -10.709 -7.584 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.526 -5.698 -7.620 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.156 -4.490 -6.891 1.00 0.00 C ATOM 1377 C LEU A 92 -2.271 -3.451 -6.958 1.00 0.00 C ATOM 1378 O LEU A 92 -2.665 -3.017 -8.041 1.00 0.00 O ATOM 1379 CB LEU A 92 0.137 -3.903 -7.459 1.00 0.00 C ATOM 1380 CG LEU A 92 1.434 -4.369 -6.795 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.623 -4.111 -7.707 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.626 -3.674 -5.455 1.00 0.00 C ATOM 0 H LEU A 92 -1.702 -5.553 -8.614 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.997 -4.760 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.188 -4.147 -8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.083 -2.817 -7.383 1.00 0.00 H new ATOM 0 HG LEU A 92 1.364 -5.442 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.537 -4.449 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.489 -4.655 -8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.697 -3.044 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.553 -4.017 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.674 -2.596 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.788 -3.910 -4.799 1.00 0.00 H new ATOM 1394 N SER A 93 -2.775 -3.055 -5.794 1.00 0.00 N ATOM 1395 CA SER A 93 -3.846 -2.068 -5.720 1.00 0.00 C ATOM 1396 C SER A 93 -3.456 -0.787 -6.452 1.00 0.00 C ATOM 1397 O SER A 93 -2.277 -0.474 -6.623 1.00 0.00 O ATOM 1398 CB SER A 93 -4.178 -1.753 -4.260 1.00 0.00 C ATOM 1399 OG SER A 93 -3.326 -0.743 -3.749 1.00 0.00 O ATOM 0 H SER A 93 -2.459 -3.403 -4.889 1.00 0.00 H new ATOM 0 HA SER A 93 -4.728 -2.488 -6.203 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.216 -1.431 -4.181 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.078 -2.656 -3.658 1.00 0.00 H new ATOM 0 HG SER A 93 -3.577 0.122 -4.135 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.469 -0.029 -6.896 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.258 1.230 -7.617 1.00 0.00 C ATOM 1407 C PRO A 94 -3.702 2.328 -6.716 1.00 0.00 C ATOM 1408 O PRO A 94 -4.354 2.750 -5.762 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.662 1.599 -8.105 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.584 0.930 -7.144 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.898 -0.341 -6.728 1.00 0.00 C ATOM 0 HA PRO A 94 -3.527 1.123 -8.419 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.809 2.679 -8.108 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.831 1.251 -9.124 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.779 1.568 -6.282 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.547 0.719 -7.609 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.133 -0.605 -5.697 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.201 -1.183 -7.350 1.00 0.00 H new ATOM 1419 N SER A 95 -2.493 2.785 -7.026 1.00 0.00 N ATOM 1420 CA SER A 95 -1.848 3.832 -6.243 1.00 0.00 C ATOM 1421 C SER A 95 -2.777 5.029 -6.065 1.00 0.00 C ATOM 1422 O SER A 95 -3.615 5.310 -6.922 1.00 0.00 O ATOM 1423 CB SER A 95 -0.549 4.276 -6.918 1.00 0.00 C ATOM 1424 OG SER A 95 -0.611 4.084 -8.320 1.00 0.00 O ATOM 0 H SER A 95 -1.941 2.447 -7.814 1.00 0.00 H new ATOM 0 HA SER A 95 -1.617 3.425 -5.259 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.363 5.328 -6.700 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.289 3.712 -6.507 1.00 0.00 H new ATOM 0 HG SER A 95 0.026 4.684 -8.761 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.622 5.729 -4.946 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.446 6.896 -4.656 1.00 0.00 C ATOM 1432 C ILE A 96 -2.675 8.188 -4.904 1.00 0.00 C ATOM 1433 O ILE A 96 -3.264 9.223 -5.216 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.948 6.883 -3.200 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.815 6.484 -2.251 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.127 5.932 -3.055 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.162 6.660 -0.789 1.00 0.00 C ATOM 0 H ILE A 96 -1.934 5.508 -4.226 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.303 6.852 -5.328 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.281 7.887 -2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.551 5.442 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.932 7.080 -2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.471 5.934 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.938 6.256 -3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.818 4.924 -3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.314 6.358 -0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.397 7.706 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.026 6.042 -0.543 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.355 8.120 -4.765 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.504 9.285 -4.976 1.00 0.00 C ATOM 1451 C GLN A 97 -0.806 10.372 -3.950 1.00 0.00 C ATOM 1452 O GLN A 97 -1.002 11.535 -4.303 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.696 9.834 -6.391 1.00 0.00 C ATOM 1454 CG GLN A 97 0.258 9.234 -7.411 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.348 9.152 -8.798 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.848 10.144 -9.330 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.305 7.966 -9.394 1.00 0.00 N ATOM 0 H GLN A 97 -0.852 7.271 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 97 0.533 8.973 -4.853 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.721 9.644 -6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.563 10.916 -6.373 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.167 9.835 -7.450 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.550 8.235 -7.086 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.119 7.170 -8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.696 7.851 -10.329 1.00 0.00 H new ATOM 1466 N SER A 98 -0.843 9.986 -2.679 1.00 0.00 N ATOM 1467 CA SER A 98 -1.126 10.928 -1.602 1.00 0.00 C ATOM 1468 C SER A 98 0.023 11.917 -1.430 1.00 0.00 C ATOM 1469 O SER A 98 1.167 11.522 -1.204 1.00 0.00 O ATOM 1470 CB SER A 98 -1.369 10.177 -0.291 1.00 0.00 C ATOM 1471 OG SER A 98 -2.247 10.900 0.555 1.00 0.00 O ATOM 0 H SER A 98 -0.681 9.028 -2.369 1.00 0.00 H new ATOM 0 HA SER A 98 -2.025 11.485 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.791 9.195 -0.504 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.420 10.013 0.219 1.00 0.00 H new ATOM 0 HG SER A 98 -1.743 11.270 1.310 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.291 13.203 -1.537 1.00 0.00 N ATOM 1478 CA ARG A 99 0.714 14.250 -1.395 1.00 0.00 C ATOM 1479 C ARG A 99 0.795 14.732 0.050 1.00 0.00 C ATOM 1480 O ARG A 99 -0.146 15.332 0.571 1.00 0.00 O ATOM 1481 CB ARG A 99 0.391 15.426 -2.319 1.00 0.00 C ATOM 1482 CG ARG A 99 1.359 16.590 -2.183 1.00 0.00 C ATOM 1483 CD ARG A 99 1.099 17.656 -3.237 1.00 0.00 C ATOM 1484 NE ARG A 99 0.098 18.625 -2.800 1.00 0.00 N ATOM 1485 CZ ARG A 99 -0.627 19.361 -3.635 1.00 0.00 C ATOM 1486 NH1 ARG A 99 -0.463 19.238 -4.945 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -1.518 20.222 -3.161 1.00 0.00 N ATOM 0 H ARG A 99 -1.234 13.546 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 99 1.681 13.832 -1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.397 15.078 -3.352 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.619 15.777 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.265 17.028 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.382 16.227 -2.276 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.030 18.175 -3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.765 17.180 -4.159 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.053 18.743 -1.798 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.221 18.577 -5.314 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.021 19.804 -5.584 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.647 20.320 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.074 20.786 -3.804 1.00 0.00 H new ATOM 1501 N THR A 100 1.927 14.466 0.695 1.00 0.00 N ATOM 1502 CA THR A 100 2.131 14.871 2.080 1.00 0.00 C ATOM 1503 C THR A 100 1.674 16.307 2.306 1.00 0.00 C ATOM 1504 O THR A 100 1.469 17.060 1.355 1.00 0.00 O ATOM 1505 CB THR A 100 3.610 14.744 2.490 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.442 15.415 1.537 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.021 13.283 2.590 1.00 0.00 C ATOM 0 H THR A 100 2.717 13.972 0.280 1.00 0.00 H new ATOM 0 HA THR A 100 1.532 14.201 2.697 1.00 0.00 H new ATOM 0 HB THR A 100 3.733 15.207 3.469 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.285 14.925 1.437 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.070 13.219 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.406 12.782 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.883 12.799 1.623 1.00 0.00 H new ATOM 1515 N MET A 101 1.517 16.681 3.572 1.00 0.00 N ATOM 1516 CA MET A 101 1.085 18.029 3.922 1.00 0.00 C ATOM 1517 C MET A 101 2.192 19.043 3.648 1.00 0.00 C ATOM 1518 O MET A 101 3.369 18.800 3.915 1.00 0.00 O ATOM 1519 CB MET A 101 0.675 18.090 5.395 1.00 0.00 C ATOM 1520 CG MET A 101 1.827 18.413 6.333 1.00 0.00 C ATOM 1521 SD MET A 101 1.359 18.305 8.071 1.00 0.00 S ATOM 1522 CE MET A 101 -0.028 19.437 8.119 1.00 0.00 C ATOM 0 H MET A 101 1.682 16.070 4.372 1.00 0.00 H new ATOM 0 HA MET A 101 0.224 18.280 3.302 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.104 18.843 5.516 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.240 17.133 5.683 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.651 17.727 6.139 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.192 19.418 6.121 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.236 19.714 9.153 1.00 0.00 H new ATOM 0 HE2 MET A 101 0.213 20.332 7.545 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.906 18.955 7.689 1.00 0.00 H new ATOM 1532 N PRO A 102 1.808 20.206 3.101 1.00 0.00 N ATOM 1533 CA PRO A 102 2.753 21.279 2.778 1.00 0.00 C ATOM 1534 C PRO A 102 3.325 21.942 4.027 1.00 0.00 C ATOM 1535 O PRO A 102 2.700 22.825 4.615 1.00 0.00 O ATOM 1536 CB PRO A 102 1.902 22.275 1.986 1.00 0.00 C ATOM 1537 CG PRO A 102 0.507 22.032 2.448 1.00 0.00 C ATOM 1538 CD PRO A 102 0.422 20.563 2.755 1.00 0.00 C ATOM 0 HA PRO A 102 3.619 20.908 2.230 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.210 23.302 2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.998 22.112 0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.279 22.629 3.331 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.213 22.312 1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.262 20.364 3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 102 0.062 19.994 1.898 1.00 0.00 H new ATOM 1546 N VAL A 103 4.517 21.511 4.427 1.00 0.00 N ATOM 1547 CA VAL A 103 5.174 22.065 5.605 1.00 0.00 C ATOM 1548 C VAL A 103 5.068 23.585 5.630 1.00 0.00 C ATOM 1549 O VAL A 103 4.897 24.223 4.591 1.00 0.00 O ATOM 1550 CB VAL A 103 6.660 21.663 5.660 1.00 0.00 C ATOM 1551 CG1 VAL A 103 7.368 22.061 4.374 1.00 0.00 C ATOM 1552 CG2 VAL A 103 7.337 22.292 6.868 1.00 0.00 C ATOM 0 H VAL A 103 5.047 20.780 3.953 1.00 0.00 H new ATOM 0 HA VAL A 103 4.662 21.654 6.475 1.00 0.00 H new ATOM 0 HB VAL A 103 6.723 20.579 5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.417 21.769 4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.897 21.559 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.298 23.140 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.386 21.998 6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.266 23.378 6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.844 21.952 7.779 1.00 0.00 H new TER 1562 VAL A 103