USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 878 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 65 GLN : amide:sc= -0.794 K(o=-2,f=-1.3) USER MOD Set 1.2: A 102 GLN : amide:sc= -1.23 X(o=-2,f=-2.3!) USER MOD Set 2.1: A 90 GLN : amide:sc= -4.49! K(o=-4.5!,f=-1.3) USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 51 THR OG1 : rot -130:sc= -0.0216 USER MOD Set 3.2: A 54 LYS NZ :NH3+ 151:sc= 1.31 (180deg=-1.2!) USER MOD Set 3.3: A 93 SER OG : rot -150:sc= 0.415 USER MOD Set 4.1: A 52 ASN : amide:sc= -8.23! K(o=-19!,f=-6.1) USER MOD Set 4.2: A 53 GLN : amide:sc= -11.2! C(o=-19!,f=-6.1!) USER MOD Set 5.1: A 37 THR OG1 : rot 98:sc= 1.28 USER MOD Set 5.2: A 38 ASN : amide:sc= -2.07 K(o=-0.79,f=0.67) USER MOD Set 6.1: A 5 TYR OH : rot 100:sc= -3.29! USER MOD Set 6.2: A 9 LYS NZ :NH3+ 159:sc= 0.607 (180deg=-1.03!) USER MOD Single : A 6 GLN : amide:sc= -7.93! K(o=-7.9!,f=-1) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -1.45! USER MOD Single : A 25 ASN : amide:sc=-0.00288 X(o=-0.0029,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= -1.55 (180deg=-3.1!) USER MOD Single : A 32 LYS NZ :NH3+ -157:sc= -0.633 (180deg=-1.44) USER MOD Single : A 35 TYR OH : rot -9:sc= -2.08! USER MOD Single : A 42 GLN : amide:sc= -1.69 K(o=-1.7,f=-0.15) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc=-0.00105 (180deg=-0.0247) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 45:sc= 0.00222 USER MOD Single : A 50 THR OG1 : rot 120:sc= -1.9! USER MOD Single : A 55 THR OG1 : rot -67:sc= 1.1 USER MOD Single : A 58 GLN : amide:sc= -0.435 X(o=-0.44,f=-0.37) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 14:sc= -3.71! USER MOD Single : A 72 ASN : amide:sc= -3.61! K(o=-3.6!,f=-1.4) USER MOD Single : A 75 THR OG1 : rot 44:sc= -3.16 USER MOD Single : A 77 SER OG : rot 180:sc= -1.61 USER MOD Single : A 78 GLN : amide:sc= -2.56! K(o=-2.6!,f=0.074) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.45) USER MOD Single : A 87 GLN : amide:sc= -6.72! C(o=-6.7!,f=-4.9!) USER MOD Single : A 97 ASN : amide:sc= -7.32! C(o=-7.3!,f=-6.4!) USER MOD Single : A 98 GLN : amide:sc= -0.0786 K(o=-0.079,f=-1.8!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -148:sc= -1.48 (180deg=-4.07!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N LEU A 4 -16.776 7.110 -0.150 1.00 0.65 N ATOM 50 CA LEU A 4 -16.500 6.780 -1.540 1.00 0.69 C ATOM 51 C LEU A 4 -16.136 5.304 -1.693 1.00 0.69 C ATOM 52 O LEU A 4 -15.552 4.901 -2.699 1.00 0.91 O ATOM 53 CB LEU A 4 -15.357 7.659 -2.043 1.00 0.65 C ATOM 54 CG LEU A 4 -15.613 8.398 -3.362 1.00 0.81 C ATOM 55 CD1 LEU A 4 -16.993 9.042 -3.371 1.00 1.51 C ATOM 56 CD2 LEU A 4 -14.539 9.449 -3.596 1.00 1.29 C ATOM 0 HA LEU A 4 -17.397 6.964 -2.132 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -15.126 8.396 -1.274 1.00 0.65 H new ATOM 0 HB3 LEU A 4 -14.471 7.036 -2.164 1.00 0.65 H new ATOM 0 HG LEU A 4 -15.575 7.668 -4.171 1.00 0.81 H new ATOM 0 HD11 LEU A 4 -17.147 9.559 -4.318 1.00 1.51 H new ATOM 0 HD12 LEU A 4 -17.755 8.272 -3.250 1.00 1.51 H new ATOM 0 HD13 LEU A 4 -17.066 9.757 -2.551 1.00 1.51 H new ATOM 0 HD21 LEU A 4 -14.734 9.965 -4.536 1.00 1.29 H new ATOM 0 HD22 LEU A 4 -14.550 10.169 -2.778 1.00 1.29 H new ATOM 0 HD23 LEU A 4 -13.562 8.967 -3.642 1.00 1.29 H new ATOM 68 N TYR A 5 -16.491 4.508 -0.686 1.00 0.60 N ATOM 69 CA TYR A 5 -16.217 3.080 -0.677 1.00 0.61 C ATOM 70 C TYR A 5 -16.637 2.505 0.668 1.00 0.58 C ATOM 71 O TYR A 5 -17.162 3.227 1.514 1.00 0.63 O ATOM 72 CB TYR A 5 -14.732 2.794 -0.951 1.00 0.60 C ATOM 73 CG TYR A 5 -13.778 3.542 -0.046 1.00 0.47 C ATOM 74 CD1 TYR A 5 -13.567 3.136 1.269 1.00 0.50 C ATOM 75 CD2 TYR A 5 -13.096 4.659 -0.505 1.00 0.43 C ATOM 76 CE1 TYR A 5 -12.695 3.826 2.099 1.00 0.48 C ATOM 77 CE2 TYR A 5 -12.227 5.353 0.313 1.00 0.34 C ATOM 78 CZ TYR A 5 -12.017 4.903 1.623 1.00 0.36 C ATOM 79 OH TYR A 5 -11.169 5.631 2.425 1.00 0.40 O ATOM 0 H TYR A 5 -16.978 4.840 0.147 1.00 0.60 H new ATOM 0 HA TYR A 5 -16.789 2.604 -1.474 1.00 0.61 H new ATOM 0 HB2 TYR A 5 -14.554 1.724 -0.843 1.00 0.60 H new ATOM 0 HB3 TYR A 5 -14.509 3.051 -1.987 1.00 0.60 H new ATOM 0 HD1 TYR A 5 -14.090 2.271 1.649 1.00 0.50 H new ATOM 0 HD2 TYR A 5 -13.248 4.992 -1.521 1.00 0.43 H new ATOM 0 HE1 TYR A 5 -12.555 3.508 3.122 1.00 0.48 H new ATOM 0 HE2 TYR A 5 -11.716 6.231 -0.052 1.00 0.34 H new ATOM 0 HH TYR A 5 -10.243 5.360 2.253 1.00 0.40 H new ATOM 89 N GLN A 6 -16.423 1.215 0.865 1.00 0.62 N ATOM 90 CA GLN A 6 -16.806 0.578 2.116 1.00 0.63 C ATOM 91 C GLN A 6 -15.743 0.772 3.189 1.00 0.59 C ATOM 92 O GLN A 6 -14.616 0.291 3.063 1.00 0.64 O ATOM 93 CB GLN A 6 -17.093 -0.901 1.887 1.00 0.78 C ATOM 94 CG GLN A 6 -18.465 -1.129 1.277 1.00 1.57 C ATOM 95 CD GLN A 6 -18.422 -1.304 -0.230 1.00 1.64 C ATOM 96 OE1 GLN A 6 -19.313 -1.913 -0.822 1.00 2.13 O ATOM 97 NE2 GLN A 6 -17.381 -0.769 -0.858 1.00 1.48 N ATOM 0 H GLN A 6 -15.990 0.592 0.183 1.00 0.62 H new ATOM 0 HA GLN A 6 -17.717 1.056 2.476 1.00 0.63 H new ATOM 0 HB2 GLN A 6 -16.331 -1.320 1.230 1.00 0.78 H new ATOM 0 HB3 GLN A 6 -17.025 -1.434 2.835 1.00 0.78 H new ATOM 0 HG2 GLN A 6 -18.914 -2.014 1.727 1.00 1.57 H new ATOM 0 HG3 GLN A 6 -19.110 -0.285 1.521 1.00 1.57 H new ATOM 0 HE21 GLN A 6 -16.665 -0.272 -0.327 1.00 1.48 H new ATOM 0 HE22 GLN A 6 -17.297 -0.855 -1.871 1.00 1.48 H new ATOM 106 N LEU A 7 -16.116 1.494 4.241 1.00 0.61 N ATOM 107 CA LEU A 7 -15.210 1.780 5.346 1.00 0.62 C ATOM 108 C LEU A 7 -14.990 0.553 6.224 1.00 0.65 C ATOM 109 O LEU A 7 -15.830 0.210 7.056 1.00 0.72 O ATOM 110 CB LEU A 7 -15.760 2.930 6.194 1.00 0.67 C ATOM 111 CG LEU A 7 -14.755 4.036 6.537 1.00 0.84 C ATOM 112 CD1 LEU A 7 -15.377 5.045 7.488 1.00 1.39 C ATOM 113 CD2 LEU A 7 -13.493 3.448 7.146 1.00 1.14 C ATOM 0 H LEU A 7 -17.048 1.894 4.351 1.00 0.61 H new ATOM 0 HA LEU A 7 -14.249 2.067 4.919 1.00 0.62 H new ATOM 0 HB2 LEU A 7 -16.601 3.378 5.665 1.00 0.67 H new ATOM 0 HB3 LEU A 7 -16.152 2.518 7.124 1.00 0.67 H new ATOM 0 HG LEU A 7 -14.485 4.547 5.613 1.00 0.84 H new ATOM 0 HD11 LEU A 7 -14.649 5.823 7.720 1.00 1.39 H new ATOM 0 HD12 LEU A 7 -16.252 5.495 7.019 1.00 1.39 H new ATOM 0 HD13 LEU A 7 -15.676 4.542 8.407 1.00 1.39 H new ATOM 0 HD21 LEU A 7 -12.794 4.251 7.381 1.00 1.14 H new ATOM 0 HD22 LEU A 7 -13.747 2.909 8.059 1.00 1.14 H new ATOM 0 HD23 LEU A 7 -13.032 2.762 6.435 1.00 1.14 H new ATOM 125 N GLU A 8 -13.842 -0.090 6.046 1.00 0.63 N ATOM 126 CA GLU A 8 -13.487 -1.265 6.831 1.00 0.66 C ATOM 127 C GLU A 8 -12.214 -0.973 7.636 1.00 0.77 C ATOM 128 O GLU A 8 -12.271 -0.864 8.858 1.00 1.39 O ATOM 129 CB GLU A 8 -13.362 -2.494 5.911 1.00 0.71 C ATOM 130 CG GLU A 8 -11.963 -3.072 5.753 1.00 1.04 C ATOM 131 CD GLU A 8 -11.396 -2.811 4.377 1.00 2.09 C ATOM 132 OE1 GLU A 8 -11.174 -1.631 4.043 1.00 2.77 O ATOM 133 OE2 GLU A 8 -11.164 -3.789 3.635 1.00 2.54 O ATOM 0 H GLU A 8 -13.138 0.185 5.361 1.00 0.63 H new ATOM 0 HA GLU A 8 -14.272 -1.499 7.550 1.00 0.66 H new ATOM 0 HB2 GLU A 8 -14.016 -3.277 6.294 1.00 0.71 H new ATOM 0 HB3 GLU A 8 -13.735 -2.223 4.923 1.00 0.71 H new ATOM 0 HG2 GLU A 8 -11.304 -2.638 6.505 1.00 1.04 H new ATOM 0 HG3 GLU A 8 -11.992 -4.146 5.936 1.00 1.04 H new ATOM 140 N LYS A 9 -11.084 -0.801 6.948 1.00 0.59 N ATOM 141 CA LYS A 9 -9.807 -0.478 7.596 1.00 0.58 C ATOM 142 C LYS A 9 -9.359 -1.531 8.618 1.00 0.56 C ATOM 143 O LYS A 9 -8.227 -1.486 9.103 1.00 0.81 O ATOM 144 CB LYS A 9 -9.905 0.887 8.269 1.00 0.73 C ATOM 145 CG LYS A 9 -10.406 1.992 7.347 1.00 0.87 C ATOM 146 CD LYS A 9 -9.994 1.780 5.894 1.00 1.08 C ATOM 147 CE LYS A 9 -10.861 2.593 4.945 1.00 0.77 C ATOM 148 NZ LYS A 9 -10.045 3.476 4.067 1.00 1.54 N ATOM 0 H LYS A 9 -11.025 -0.880 5.933 1.00 0.59 H new ATOM 0 HA LYS A 9 -9.050 -0.465 6.811 1.00 0.58 H new ATOM 0 HB2 LYS A 9 -10.573 0.812 9.127 1.00 0.73 H new ATOM 0 HB3 LYS A 9 -8.923 1.164 8.653 1.00 0.73 H new ATOM 0 HG2 LYS A 9 -11.493 2.045 7.408 1.00 0.87 H new ATOM 0 HG3 LYS A 9 -10.020 2.951 7.693 1.00 0.87 H new ATOM 0 HD2 LYS A 9 -8.949 2.062 5.766 1.00 1.08 H new ATOM 0 HD3 LYS A 9 -10.071 0.722 5.643 1.00 1.08 H new ATOM 0 HE2 LYS A 9 -11.456 1.919 4.329 1.00 0.77 H new ATOM 0 HE3 LYS A 9 -11.560 3.199 5.521 1.00 0.77 H new ATOM 0 HZ1 LYS A 9 -10.598 3.734 3.225 1.00 1.54 H new ATOM 0 HZ2 LYS A 9 -9.784 4.338 4.588 1.00 1.54 H new ATOM 0 HZ3 LYS A 9 -9.183 2.974 3.775 1.00 1.54 H new ATOM 162 N GLU A 10 -10.241 -2.469 8.948 1.00 0.60 N ATOM 163 CA GLU A 10 -9.928 -3.520 9.915 1.00 0.56 C ATOM 164 C GLU A 10 -10.488 -4.861 9.432 1.00 0.84 C ATOM 165 O GLU A 10 -11.152 -4.909 8.396 1.00 1.40 O ATOM 166 CB GLU A 10 -10.502 -3.152 11.290 1.00 0.88 C ATOM 167 CG GLU A 10 -11.679 -2.201 11.223 1.00 1.68 C ATOM 168 CD GLU A 10 -12.582 -2.296 12.437 1.00 2.35 C ATOM 169 OE1 GLU A 10 -12.531 -3.329 13.138 1.00 2.78 O ATOM 170 OE2 GLU A 10 -13.340 -1.335 12.689 1.00 2.80 O ATOM 0 H GLU A 10 -11.182 -2.524 8.559 1.00 0.60 H new ATOM 0 HA GLU A 10 -8.846 -3.614 10.007 1.00 0.56 H new ATOM 0 HB2 GLU A 10 -10.811 -4.064 11.801 1.00 0.88 H new ATOM 0 HB3 GLU A 10 -9.715 -2.700 11.894 1.00 0.88 H new ATOM 0 HG2 GLU A 10 -11.310 -1.180 11.130 1.00 1.68 H new ATOM 0 HG3 GLU A 10 -12.261 -2.413 10.326 1.00 1.68 H new ATOM 177 N PRO A 11 -10.237 -5.972 10.166 1.00 1.07 N ATOM 178 CA PRO A 11 -10.721 -7.302 9.807 1.00 1.42 C ATOM 179 C PRO A 11 -12.068 -7.280 9.103 1.00 0.83 C ATOM 180 O PRO A 11 -13.091 -6.945 9.700 1.00 0.59 O ATOM 181 CB PRO A 11 -10.851 -8.007 11.163 1.00 2.13 C ATOM 182 CG PRO A 11 -10.260 -7.069 12.177 1.00 2.29 C ATOM 183 CD PRO A 11 -9.469 -6.051 11.406 1.00 1.67 C ATOM 0 HA PRO A 11 -10.047 -7.793 9.105 1.00 1.42 H new ATOM 0 HB2 PRO A 11 -11.895 -8.222 11.392 1.00 2.13 H new ATOM 0 HB3 PRO A 11 -10.323 -8.960 11.159 1.00 2.13 H new ATOM 0 HG2 PRO A 11 -11.043 -6.589 12.764 1.00 2.29 H new ATOM 0 HG3 PRO A 11 -9.621 -7.607 12.877 1.00 2.29 H new ATOM 0 HD2 PRO A 11 -9.420 -5.092 11.921 1.00 1.67 H new ATOM 0 HD3 PRO A 11 -8.442 -6.373 11.234 1.00 1.67 H new ATOM 191 N ILE A 12 -12.054 -7.646 7.832 1.00 0.86 N ATOM 192 CA ILE A 12 -13.265 -7.679 7.034 1.00 0.54 C ATOM 193 C ILE A 12 -14.038 -8.971 7.277 1.00 0.79 C ATOM 194 O ILE A 12 -13.443 -10.024 7.509 1.00 1.12 O ATOM 195 CB ILE A 12 -12.936 -7.573 5.537 1.00 0.51 C ATOM 196 CG1 ILE A 12 -11.946 -6.436 5.299 1.00 0.66 C ATOM 197 CG2 ILE A 12 -14.205 -7.372 4.726 1.00 0.49 C ATOM 198 CD1 ILE A 12 -11.053 -6.655 4.099 1.00 0.53 C ATOM 0 H ILE A 12 -11.211 -7.926 7.330 1.00 0.86 H new ATOM 0 HA ILE A 12 -13.876 -6.827 7.333 1.00 0.54 H new ATOM 0 HB ILE A 12 -12.474 -8.504 5.209 1.00 0.51 H new ATOM 0 HG12 ILE A 12 -12.498 -5.506 5.166 1.00 0.66 H new ATOM 0 HG13 ILE A 12 -11.325 -6.314 6.186 1.00 0.66 H new ATOM 0 HG21 ILE A 12 -13.953 -7.299 3.668 1.00 0.49 H new ATOM 0 HG22 ILE A 12 -14.874 -8.218 4.882 1.00 0.49 H new ATOM 0 HG23 ILE A 12 -14.699 -6.455 5.045 1.00 0.49 H new ATOM 0 HD11 ILE A 12 -10.375 -5.808 3.990 1.00 0.53 H new ATOM 0 HD12 ILE A 12 -10.474 -7.568 4.238 1.00 0.53 H new ATOM 0 HD13 ILE A 12 -11.665 -6.747 3.202 1.00 0.53 H new ATOM 210 N VAL A 13 -15.361 -8.878 7.224 1.00 1.03 N ATOM 211 CA VAL A 13 -16.232 -10.034 7.434 1.00 1.51 C ATOM 212 C VAL A 13 -15.708 -11.273 6.708 1.00 1.29 C ATOM 213 O VAL A 13 -15.773 -12.383 7.237 1.00 1.43 O ATOM 214 CB VAL A 13 -17.671 -9.751 6.955 1.00 2.06 C ATOM 215 CG1 VAL A 13 -18.649 -10.718 7.606 1.00 2.23 C ATOM 216 CG2 VAL A 13 -18.065 -8.311 7.246 1.00 3.06 C ATOM 0 H VAL A 13 -15.860 -8.008 7.036 1.00 1.03 H new ATOM 0 HA VAL A 13 -16.238 -10.223 8.508 1.00 1.51 H new ATOM 0 HB VAL A 13 -17.707 -9.899 5.876 1.00 2.06 H new ATOM 0 HG11 VAL A 13 -19.659 -10.504 7.257 1.00 2.23 H new ATOM 0 HG12 VAL A 13 -18.382 -11.740 7.339 1.00 2.23 H new ATOM 0 HG13 VAL A 13 -18.608 -10.603 8.689 1.00 2.23 H new ATOM 0 HG21 VAL A 13 -19.083 -8.135 6.899 1.00 3.06 H new ATOM 0 HG22 VAL A 13 -18.010 -8.129 8.319 1.00 3.06 H new ATOM 0 HG23 VAL A 13 -17.384 -7.636 6.728 1.00 3.06 H new ATOM 226 N GLY A 14 -15.188 -11.080 5.496 1.00 0.97 N ATOM 227 CA GLY A 14 -14.665 -12.199 4.730 1.00 0.77 C ATOM 228 C GLY A 14 -14.108 -11.786 3.379 1.00 0.71 C ATOM 229 O GLY A 14 -14.758 -11.972 2.350 1.00 1.03 O ATOM 0 H GLY A 14 -15.120 -10.173 5.034 1.00 0.97 H new ATOM 0 HA2 GLY A 14 -13.880 -12.690 5.305 1.00 0.77 H new ATOM 0 HA3 GLY A 14 -15.458 -12.932 4.581 1.00 0.77 H new ATOM 233 N ALA A 15 -12.902 -11.224 3.383 1.00 0.38 N ATOM 234 CA ALA A 15 -12.254 -10.782 2.153 1.00 0.34 C ATOM 235 C ALA A 15 -10.956 -11.549 1.899 1.00 0.32 C ATOM 236 O ALA A 15 -10.379 -12.128 2.819 1.00 0.36 O ATOM 237 CB ALA A 15 -11.977 -9.292 2.226 1.00 0.39 C ATOM 0 H ALA A 15 -12.353 -11.064 4.228 1.00 0.38 H new ATOM 0 HA ALA A 15 -12.928 -10.986 1.321 1.00 0.34 H new ATOM 0 HB1 ALA A 15 -11.493 -8.966 1.305 1.00 0.39 H new ATOM 0 HB2 ALA A 15 -12.916 -8.753 2.353 1.00 0.39 H new ATOM 0 HB3 ALA A 15 -11.323 -9.085 3.073 1.00 0.39 H new ATOM 243 N GLU A 16 -10.497 -11.545 0.646 1.00 0.33 N ATOM 244 CA GLU A 16 -9.260 -12.242 0.279 1.00 0.39 C ATOM 245 C GLU A 16 -8.033 -11.432 0.706 1.00 0.31 C ATOM 246 O GLU A 16 -8.059 -10.206 0.690 1.00 0.33 O ATOM 247 CB GLU A 16 -9.219 -12.512 -1.228 1.00 0.56 C ATOM 248 CG GLU A 16 -9.162 -11.252 -2.072 1.00 0.84 C ATOM 249 CD GLU A 16 -9.811 -11.427 -3.432 1.00 1.22 C ATOM 250 OE1 GLU A 16 -10.724 -12.271 -3.549 1.00 2.01 O ATOM 251 OE2 GLU A 16 -9.404 -10.723 -4.380 1.00 1.43 O ATOM 0 H GLU A 16 -10.960 -11.070 -0.129 1.00 0.33 H new ATOM 0 HA GLU A 16 -9.242 -13.197 0.804 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -8.350 -13.130 -1.454 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -10.101 -13.088 -1.509 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -9.658 -10.440 -1.539 1.00 0.84 H new ATOM 0 HG3 GLU A 16 -8.121 -10.956 -2.206 1.00 0.84 H new ATOM 258 N THR A 17 -6.966 -12.126 1.109 1.00 0.37 N ATOM 259 CA THR A 17 -5.745 -11.457 1.563 1.00 0.32 C ATOM 260 C THR A 17 -4.891 -10.944 0.416 1.00 0.26 C ATOM 261 O THR A 17 -4.792 -11.554 -0.657 1.00 0.29 O ATOM 262 CB THR A 17 -4.888 -12.365 2.468 1.00 0.41 C ATOM 263 OG1 THR A 17 -3.924 -13.076 1.682 1.00 0.54 O ATOM 264 CG2 THR A 17 -5.759 -13.353 3.230 1.00 0.51 C ATOM 0 H THR A 17 -6.923 -13.145 1.130 1.00 0.37 H new ATOM 0 HA THR A 17 -6.089 -10.600 2.142 1.00 0.32 H new ATOM 0 HB THR A 17 -4.371 -11.732 3.189 1.00 0.41 H new ATOM 0 HG1 THR A 17 -3.384 -13.648 2.266 1.00 0.54 H new ATOM 0 HG21 THR A 17 -5.130 -13.981 3.861 1.00 0.51 H new ATOM 0 HG22 THR A 17 -6.468 -12.808 3.853 1.00 0.51 H new ATOM 0 HG23 THR A 17 -6.304 -13.979 2.523 1.00 0.51 H new ATOM 272 N PHE A 18 -4.291 -9.790 0.674 1.00 0.27 N ATOM 273 CA PHE A 18 -3.453 -9.111 -0.290 1.00 0.25 C ATOM 274 C PHE A 18 -2.240 -8.478 0.395 1.00 0.29 C ATOM 275 O PHE A 18 -2.315 -8.062 1.549 1.00 0.59 O ATOM 276 CB PHE A 18 -4.286 -8.034 -0.975 1.00 0.32 C ATOM 277 CG PHE A 18 -4.850 -8.442 -2.304 1.00 0.24 C ATOM 278 CD1 PHE A 18 -5.800 -9.449 -2.388 1.00 0.24 C ATOM 279 CD2 PHE A 18 -4.443 -7.814 -3.467 1.00 0.38 C ATOM 280 CE1 PHE A 18 -6.330 -9.821 -3.606 1.00 0.35 C ATOM 281 CE2 PHE A 18 -4.969 -8.182 -4.690 1.00 0.46 C ATOM 282 CZ PHE A 18 -5.915 -9.187 -4.759 1.00 0.41 C ATOM 0 H PHE A 18 -4.376 -9.300 1.565 1.00 0.27 H new ATOM 0 HA PHE A 18 -3.086 -9.829 -1.023 1.00 0.25 H new ATOM 0 HB2 PHE A 18 -5.107 -7.752 -0.316 1.00 0.32 H new ATOM 0 HB3 PHE A 18 -3.669 -7.146 -1.112 1.00 0.32 H new ATOM 0 HD1 PHE A 18 -6.129 -9.948 -1.489 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -3.705 -7.027 -3.418 1.00 0.38 H new ATOM 0 HE1 PHE A 18 -7.069 -10.607 -3.657 1.00 0.35 H new ATOM 0 HE2 PHE A 18 -4.641 -7.685 -5.591 1.00 0.46 H new ATOM 0 HZ PHE A 18 -6.329 -9.476 -5.714 1.00 0.41 H new ATOM 292 N TYR A 19 -1.125 -8.407 -0.322 1.00 0.25 N ATOM 293 CA TYR A 19 0.093 -7.822 0.227 1.00 0.28 C ATOM 294 C TYR A 19 0.521 -6.605 -0.569 1.00 0.22 C ATOM 295 O TYR A 19 0.282 -6.523 -1.771 1.00 0.22 O ATOM 296 CB TYR A 19 1.228 -8.859 0.238 1.00 0.41 C ATOM 297 CG TYR A 19 2.641 -8.279 0.233 1.00 1.21 C ATOM 298 CD1 TYR A 19 3.130 -7.629 -0.893 1.00 1.64 C ATOM 299 CD2 TYR A 19 3.477 -8.360 1.353 1.00 1.92 C ATOM 300 CE1 TYR A 19 4.398 -7.080 -0.910 1.00 2.74 C ATOM 301 CE2 TYR A 19 4.747 -7.816 1.336 1.00 3.01 C ATOM 302 CZ TYR A 19 5.237 -7.265 0.241 1.00 3.40 C ATOM 303 OH TYR A 19 6.463 -6.627 0.188 1.00 4.52 O ATOM 0 H TYR A 19 -1.038 -8.745 -1.280 1.00 0.25 H new ATOM 0 HA TYR A 19 -0.119 -7.510 1.250 1.00 0.28 H new ATOM 0 HB2 TYR A 19 1.114 -9.489 1.121 1.00 0.41 H new ATOM 0 HB3 TYR A 19 1.115 -9.506 -0.632 1.00 0.41 H new ATOM 0 HD1 TYR A 19 2.507 -7.551 -1.772 1.00 1.64 H new ATOM 0 HD2 TYR A 19 3.123 -8.856 2.245 1.00 1.92 H new ATOM 0 HE1 TYR A 19 4.749 -6.526 -1.768 1.00 2.74 H new ATOM 0 HE2 TYR A 19 5.348 -7.842 2.233 1.00 3.01 H new ATOM 0 HH TYR A 19 6.962 -6.808 1.012 1.00 4.52 H new ATOM 313 N VAL A 20 1.190 -5.679 0.111 1.00 0.22 N ATOM 314 CA VAL A 20 1.694 -4.477 -0.529 1.00 0.22 C ATOM 315 C VAL A 20 2.779 -3.832 0.333 1.00 0.23 C ATOM 316 O VAL A 20 2.555 -3.524 1.504 1.00 0.26 O ATOM 317 CB VAL A 20 0.558 -3.470 -0.813 1.00 0.32 C ATOM 318 CG1 VAL A 20 -0.654 -3.766 0.054 1.00 0.87 C ATOM 319 CG2 VAL A 20 1.026 -2.039 -0.614 1.00 0.93 C ATOM 0 H VAL A 20 1.394 -5.742 1.108 1.00 0.22 H new ATOM 0 HA VAL A 20 2.129 -4.764 -1.486 1.00 0.22 H new ATOM 0 HB VAL A 20 0.268 -3.583 -1.858 1.00 0.32 H new ATOM 0 HG11 VAL A 20 -1.442 -3.044 -0.163 1.00 0.87 H new ATOM 0 HG12 VAL A 20 -1.016 -4.772 -0.157 1.00 0.87 H new ATOM 0 HG13 VAL A 20 -0.376 -3.694 1.105 1.00 0.87 H new ATOM 0 HG21 VAL A 20 0.203 -1.355 -0.822 1.00 0.93 H new ATOM 0 HG22 VAL A 20 1.358 -1.905 0.415 1.00 0.93 H new ATOM 0 HG23 VAL A 20 1.853 -1.829 -1.293 1.00 0.93 H new ATOM 329 N ASP A 21 3.953 -3.639 -0.258 1.00 0.22 N ATOM 330 CA ASP A 21 5.078 -3.039 0.447 1.00 0.25 C ATOM 331 C ASP A 21 6.245 -2.771 -0.503 1.00 0.23 C ATOM 332 O ASP A 21 6.562 -3.591 -1.366 1.00 0.25 O ATOM 333 CB ASP A 21 5.535 -3.958 1.583 1.00 0.28 C ATOM 334 CG ASP A 21 6.853 -3.516 2.191 1.00 0.30 C ATOM 335 OD1 ASP A 21 6.906 -2.398 2.747 1.00 0.37 O ATOM 336 OD2 ASP A 21 7.830 -4.289 2.115 1.00 0.38 O ATOM 0 H ASP A 21 4.150 -3.891 -1.227 1.00 0.22 H new ATOM 0 HA ASP A 21 4.748 -2.086 0.861 1.00 0.25 H new ATOM 0 HB2 ASP A 21 4.770 -3.980 2.359 1.00 0.28 H new ATOM 0 HB3 ASP A 21 5.636 -4.975 1.205 1.00 0.28 H new ATOM 341 N GLY A 22 6.882 -1.616 -0.332 1.00 0.22 N ATOM 342 CA GLY A 22 8.011 -1.256 -1.168 1.00 0.24 C ATOM 343 C GLY A 22 9.066 -0.478 -0.404 1.00 0.35 C ATOM 344 O GLY A 22 8.754 0.210 0.567 1.00 0.42 O ATOM 0 H GLY A 22 6.634 -0.922 0.373 1.00 0.22 H new ATOM 0 HA2 GLY A 22 8.457 -2.160 -1.581 1.00 0.24 H new ATOM 0 HA3 GLY A 22 7.661 -0.659 -2.010 1.00 0.24 H new ATOM 348 N ALA A 23 10.316 -0.583 -0.844 1.00 0.39 N ATOM 349 CA ALA A 23 11.416 0.122 -0.195 1.00 0.49 C ATOM 350 C ALA A 23 12.062 1.110 -1.148 1.00 0.50 C ATOM 351 O ALA A 23 12.679 0.729 -2.139 1.00 0.49 O ATOM 352 CB ALA A 23 12.448 -0.869 0.322 1.00 0.57 C ATOM 0 H ALA A 23 10.592 -1.149 -1.646 1.00 0.39 H new ATOM 0 HA ALA A 23 11.012 0.679 0.650 1.00 0.49 H new ATOM 0 HB1 ALA A 23 13.263 -0.328 0.804 1.00 0.57 H new ATOM 0 HB2 ALA A 23 11.980 -1.538 1.044 1.00 0.57 H new ATOM 0 HB3 ALA A 23 12.842 -1.452 -0.511 1.00 0.57 H new ATOM 358 N ALA A 24 11.915 2.382 -0.821 1.00 0.53 N ATOM 359 CA ALA A 24 12.472 3.454 -1.614 1.00 0.55 C ATOM 360 C ALA A 24 13.017 4.538 -0.703 1.00 0.64 C ATOM 361 O ALA A 24 12.324 5.009 0.200 1.00 0.80 O ATOM 362 CB ALA A 24 11.416 4.022 -2.546 1.00 0.49 C ATOM 0 H ALA A 24 11.405 2.697 0.004 1.00 0.53 H new ATOM 0 HA ALA A 24 13.289 3.062 -2.220 1.00 0.55 H new ATOM 0 HB1 ALA A 24 11.849 4.829 -3.138 1.00 0.49 H new ATOM 0 HB2 ALA A 24 11.057 3.236 -3.211 1.00 0.49 H new ATOM 0 HB3 ALA A 24 10.583 4.409 -1.959 1.00 0.49 H new ATOM 368 N ASN A 25 14.261 4.923 -0.938 1.00 0.61 N ATOM 369 CA ASN A 25 14.906 5.946 -0.137 1.00 0.69 C ATOM 370 C ASN A 25 14.022 7.178 -0.014 1.00 0.69 C ATOM 371 O ASN A 25 13.677 7.802 -1.011 1.00 0.69 O ATOM 372 CB ASN A 25 16.236 6.343 -0.776 1.00 0.77 C ATOM 373 CG ASN A 25 17.349 6.503 0.241 1.00 0.68 C ATOM 374 OD1 ASN A 25 18.379 5.834 0.162 1.00 0.67 O ATOM 375 ND2 ASN A 25 17.145 7.394 1.203 1.00 1.09 N ATOM 0 H ASN A 25 14.845 4.539 -1.681 1.00 0.61 H new ATOM 0 HA ASN A 25 15.080 5.538 0.859 1.00 0.69 H new ATOM 0 HB2 ASN A 25 16.523 5.587 -1.507 1.00 0.77 H new ATOM 0 HB3 ASN A 25 16.108 7.279 -1.319 1.00 0.77 H new ATOM 0 HD21 ASN A 25 17.858 7.547 1.916 1.00 1.09 H new ATOM 0 HD22 ASN A 25 16.275 7.926 1.229 1.00 1.09 H new ATOM 382 N ARG A 26 13.658 7.524 1.214 1.00 0.73 N ATOM 383 CA ARG A 26 12.814 8.687 1.455 1.00 0.77 C ATOM 384 C ARG A 26 13.565 9.976 1.174 1.00 0.82 C ATOM 385 O ARG A 26 13.052 10.872 0.504 1.00 0.79 O ATOM 386 CB ARG A 26 12.328 8.702 2.896 1.00 0.87 C ATOM 387 CG ARG A 26 10.932 9.265 3.037 1.00 0.94 C ATOM 388 CD ARG A 26 10.867 10.731 2.647 1.00 1.30 C ATOM 389 NE ARG A 26 10.367 11.564 3.736 1.00 1.57 N ATOM 390 CZ ARG A 26 9.772 12.738 3.555 1.00 2.15 C ATOM 391 NH1 ARG A 26 9.602 13.217 2.329 1.00 2.86 N ATOM 392 NH2 ARG A 26 9.344 13.436 4.598 1.00 2.52 N ATOM 0 H ARG A 26 13.933 7.018 2.056 1.00 0.73 H new ATOM 0 HA ARG A 26 11.961 8.618 0.780 1.00 0.77 H new ATOM 0 HB2 ARG A 26 12.347 7.687 3.292 1.00 0.87 H new ATOM 0 HB3 ARG A 26 13.016 9.293 3.501 1.00 0.87 H new ATOM 0 HG2 ARG A 26 10.246 8.693 2.412 1.00 0.94 H new ATOM 0 HG3 ARG A 26 10.597 9.149 4.068 1.00 0.94 H new ATOM 0 HD2 ARG A 26 11.860 11.073 2.355 1.00 1.30 H new ATOM 0 HD3 ARG A 26 10.222 10.846 1.776 1.00 1.30 H new ATOM 0 HE ARG A 26 10.481 11.225 4.691 1.00 1.57 H new ATOM 0 HH11 ARG A 26 9.928 12.684 1.523 1.00 2.86 H new ATOM 0 HH12 ARG A 26 9.145 14.119 2.193 1.00 2.86 H new ATOM 0 HH21 ARG A 26 9.471 13.072 5.542 1.00 2.52 H new ATOM 0 HH22 ARG A 26 8.888 14.337 4.456 1.00 2.52 H new ATOM 406 N GLU A 27 14.774 10.066 1.713 1.00 0.93 N ATOM 407 CA GLU A 27 15.606 11.246 1.547 1.00 1.02 C ATOM 408 C GLU A 27 15.576 11.746 0.107 1.00 0.90 C ATOM 409 O GLU A 27 15.544 12.950 -0.145 1.00 0.94 O ATOM 410 CB GLU A 27 17.045 10.928 1.945 1.00 1.15 C ATOM 411 CG GLU A 27 17.723 12.038 2.729 1.00 1.36 C ATOM 412 CD GLU A 27 18.755 12.784 1.906 1.00 1.99 C ATOM 413 OE1 GLU A 27 18.355 13.531 0.988 1.00 2.44 O ATOM 414 OE2 GLU A 27 19.962 12.620 2.180 1.00 2.44 O ATOM 0 H GLU A 27 15.201 9.328 2.273 1.00 0.93 H new ATOM 0 HA GLU A 27 15.209 12.030 2.192 1.00 1.02 H new ATOM 0 HB2 GLU A 27 17.054 10.016 2.542 1.00 1.15 H new ATOM 0 HB3 GLU A 27 17.625 10.725 1.045 1.00 1.15 H new ATOM 0 HG2 GLU A 27 16.969 12.741 3.084 1.00 1.36 H new ATOM 0 HG3 GLU A 27 18.204 11.614 3.611 1.00 1.36 H new ATOM 421 N THR A 28 15.593 10.806 -0.830 1.00 0.79 N ATOM 422 CA THR A 28 15.575 11.136 -2.248 1.00 0.69 C ATOM 423 C THR A 28 14.251 10.744 -2.889 1.00 0.56 C ATOM 424 O THR A 28 14.040 10.979 -4.079 1.00 0.49 O ATOM 425 CB THR A 28 16.713 10.420 -2.996 1.00 0.75 C ATOM 426 OG1 THR A 28 17.325 9.445 -2.142 1.00 1.41 O ATOM 427 CG2 THR A 28 17.759 11.412 -3.470 1.00 1.35 C ATOM 0 H THR A 28 15.619 9.806 -0.631 1.00 0.79 H new ATOM 0 HA THR A 28 15.709 12.215 -2.324 1.00 0.69 H new ATOM 0 HB THR A 28 16.287 9.923 -3.867 1.00 0.75 H new ATOM 0 HG1 THR A 28 18.047 8.993 -2.627 1.00 1.41 H new ATOM 0 HG21 THR A 28 18.552 10.881 -3.996 1.00 1.35 H new ATOM 0 HG22 THR A 28 17.297 12.134 -4.144 1.00 1.35 H new ATOM 0 HG23 THR A 28 18.180 11.935 -2.611 1.00 1.35 H new ATOM 435 N LYS A 29 13.371 10.127 -2.103 1.00 0.54 N ATOM 436 CA LYS A 29 12.079 9.683 -2.610 1.00 0.46 C ATOM 437 C LYS A 29 12.294 8.871 -3.878 1.00 0.37 C ATOM 438 O LYS A 29 11.926 9.294 -4.976 1.00 0.44 O ATOM 439 CB LYS A 29 11.168 10.882 -2.884 1.00 0.51 C ATOM 440 CG LYS A 29 11.034 11.823 -1.696 1.00 0.67 C ATOM 441 CD LYS A 29 12.033 12.967 -1.781 1.00 1.02 C ATOM 442 CE LYS A 29 11.474 14.244 -1.176 1.00 1.39 C ATOM 443 NZ LYS A 29 11.305 14.133 0.299 1.00 1.56 N ATOM 0 H LYS A 29 13.530 9.925 -1.116 1.00 0.54 H new ATOM 0 HA LYS A 29 11.592 9.059 -1.861 1.00 0.46 H new ATOM 0 HB2 LYS A 29 11.558 11.438 -3.736 1.00 0.51 H new ATOM 0 HB3 LYS A 29 10.179 10.521 -3.165 1.00 0.51 H new ATOM 0 HG2 LYS A 29 10.021 12.224 -1.660 1.00 0.67 H new ATOM 0 HG3 LYS A 29 11.191 11.269 -0.771 1.00 0.67 H new ATOM 0 HD2 LYS A 29 12.950 12.689 -1.262 1.00 1.02 H new ATOM 0 HD3 LYS A 29 12.298 13.143 -2.824 1.00 1.02 H new ATOM 0 HE2 LYS A 29 12.141 15.075 -1.403 1.00 1.39 H new ATOM 0 HE3 LYS A 29 10.512 14.472 -1.635 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 10.378 14.517 0.572 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 11.362 13.134 0.581 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 12.057 14.671 0.776 1.00 1.56 H new ATOM 457 N LEU A 30 12.929 7.713 -3.720 1.00 0.43 N ATOM 458 CA LEU A 30 13.238 6.851 -4.856 1.00 0.37 C ATOM 459 C LEU A 30 13.568 5.433 -4.412 1.00 0.38 C ATOM 460 O LEU A 30 14.189 5.232 -3.375 1.00 0.44 O ATOM 461 CB LEU A 30 14.430 7.432 -5.626 1.00 0.42 C ATOM 462 CG LEU A 30 15.084 6.480 -6.632 1.00 0.48 C ATOM 463 CD1 LEU A 30 15.738 7.262 -7.760 1.00 0.52 C ATOM 464 CD2 LEU A 30 16.105 5.586 -5.936 1.00 0.68 C ATOM 0 H LEU A 30 13.239 7.351 -2.818 1.00 0.43 H new ATOM 0 HA LEU A 30 12.357 6.808 -5.496 1.00 0.37 H new ATOM 0 HB2 LEU A 30 14.099 8.324 -6.157 1.00 0.42 H new ATOM 0 HB3 LEU A 30 15.185 7.751 -4.908 1.00 0.42 H new ATOM 0 HG LEU A 30 14.308 5.846 -7.060 1.00 0.48 H new ATOM 0 HD11 LEU A 30 16.197 6.569 -8.465 1.00 0.52 H new ATOM 0 HD12 LEU A 30 14.984 7.857 -8.275 1.00 0.52 H new ATOM 0 HD13 LEU A 30 16.502 7.922 -7.350 1.00 0.52 H new ATOM 0 HD21 LEU A 30 16.560 4.916 -6.666 1.00 0.68 H new ATOM 0 HD22 LEU A 30 16.878 6.204 -5.479 1.00 0.68 H new ATOM 0 HD23 LEU A 30 15.608 4.998 -5.164 1.00 0.68 H new ATOM 476 N GLY A 31 13.180 4.451 -5.224 1.00 0.34 N ATOM 477 CA GLY A 31 13.476 3.067 -4.900 1.00 0.37 C ATOM 478 C GLY A 31 12.548 2.083 -5.584 1.00 0.30 C ATOM 479 O GLY A 31 12.195 2.260 -6.748 1.00 0.27 O ATOM 0 H GLY A 31 12.669 4.589 -6.096 1.00 0.34 H new ATOM 0 HA2 GLY A 31 14.504 2.846 -5.185 1.00 0.37 H new ATOM 0 HA3 GLY A 31 13.408 2.931 -3.821 1.00 0.37 H new ATOM 483 N LYS A 32 12.167 1.037 -4.860 1.00 0.30 N ATOM 484 CA LYS A 32 11.286 0.006 -5.399 1.00 0.24 C ATOM 485 C LYS A 32 9.994 -0.102 -4.601 1.00 0.19 C ATOM 486 O LYS A 32 9.916 0.340 -3.453 1.00 0.23 O ATOM 487 CB LYS A 32 11.991 -1.351 -5.395 1.00 0.28 C ATOM 488 CG LYS A 32 13.508 -1.254 -5.359 1.00 0.56 C ATOM 489 CD LYS A 32 14.054 -1.613 -3.986 1.00 0.95 C ATOM 490 CE LYS A 32 14.203 -3.117 -3.822 1.00 1.44 C ATOM 491 NZ LYS A 32 12.905 -3.770 -3.499 1.00 2.12 N ATOM 0 H LYS A 32 12.455 0.880 -3.894 1.00 0.30 H new ATOM 0 HA LYS A 32 11.040 0.293 -6.421 1.00 0.24 H new ATOM 0 HB2 LYS A 32 11.652 -1.923 -4.532 1.00 0.28 H new ATOM 0 HB3 LYS A 32 11.693 -1.908 -6.283 1.00 0.28 H new ATOM 0 HG2 LYS A 32 13.935 -1.921 -6.108 1.00 0.56 H new ATOM 0 HG3 LYS A 32 13.816 -0.242 -5.621 1.00 0.56 H new ATOM 0 HD2 LYS A 32 15.022 -1.132 -3.841 1.00 0.95 H new ATOM 0 HD3 LYS A 32 13.387 -1.226 -3.215 1.00 0.95 H new ATOM 0 HE2 LYS A 32 14.606 -3.544 -4.740 1.00 1.44 H new ATOM 0 HE3 LYS A 32 14.922 -3.327 -3.030 1.00 1.44 H new ATOM 0 HZ1 LYS A 32 13.082 -4.678 -3.023 1.00 2.12 H new ATOM 0 HZ2 LYS A 32 12.352 -3.152 -2.871 1.00 2.12 H new ATOM 0 HZ3 LYS A 32 12.373 -3.937 -4.377 1.00 2.12 H new ATOM 505 N ALA A 33 8.987 -0.710 -5.219 1.00 0.16 N ATOM 506 CA ALA A 33 7.691 -0.904 -4.584 1.00 0.14 C ATOM 507 C ALA A 33 6.858 -1.917 -5.359 1.00 0.14 C ATOM 508 O ALA A 33 6.537 -1.705 -6.527 1.00 0.15 O ATOM 509 CB ALA A 33 6.949 0.418 -4.475 1.00 0.16 C ATOM 0 H ALA A 33 9.046 -1.080 -6.168 1.00 0.16 H new ATOM 0 HA ALA A 33 7.858 -1.293 -3.580 1.00 0.14 H new ATOM 0 HB1 ALA A 33 5.983 0.255 -3.998 1.00 0.16 H new ATOM 0 HB2 ALA A 33 7.535 1.116 -3.877 1.00 0.16 H new ATOM 0 HB3 ALA A 33 6.796 0.833 -5.471 1.00 0.16 H new ATOM 515 N GLY A 34 6.509 -3.015 -4.701 1.00 0.17 N ATOM 516 CA GLY A 34 5.715 -4.040 -5.348 1.00 0.20 C ATOM 517 C GLY A 34 4.675 -4.619 -4.432 1.00 0.25 C ATOM 518 O GLY A 34 4.345 -4.030 -3.401 1.00 0.35 O ATOM 0 H GLY A 34 6.761 -3.213 -3.733 1.00 0.17 H new ATOM 0 HA2 GLY A 34 5.227 -3.618 -6.227 1.00 0.20 H new ATOM 0 HA3 GLY A 34 6.371 -4.837 -5.699 1.00 0.20 H new ATOM 522 N TYR A 35 4.153 -5.773 -4.806 1.00 0.20 N ATOM 523 CA TYR A 35 3.134 -6.424 -4.001 1.00 0.26 C ATOM 524 C TYR A 35 2.924 -7.868 -4.429 1.00 0.17 C ATOM 525 O TYR A 35 3.402 -8.288 -5.482 1.00 0.17 O ATOM 526 CB TYR A 35 1.818 -5.645 -4.100 1.00 0.40 C ATOM 527 CG TYR A 35 0.828 -6.219 -5.093 1.00 0.38 C ATOM 528 CD1 TYR A 35 0.876 -5.863 -6.432 1.00 0.50 C ATOM 529 CD2 TYR A 35 -0.157 -7.109 -4.688 1.00 0.31 C ATOM 530 CE1 TYR A 35 -0.028 -6.375 -7.340 1.00 0.58 C ATOM 531 CE2 TYR A 35 -1.062 -7.627 -5.589 1.00 0.39 C ATOM 532 CZ TYR A 35 -0.995 -7.256 -6.914 1.00 0.53 C ATOM 533 OH TYR A 35 -1.899 -7.769 -7.815 1.00 0.66 O ATOM 0 H TYR A 35 4.414 -6.276 -5.654 1.00 0.20 H new ATOM 0 HA TYR A 35 3.474 -6.432 -2.965 1.00 0.26 H new ATOM 0 HB2 TYR A 35 1.352 -5.615 -3.115 1.00 0.40 H new ATOM 0 HB3 TYR A 35 2.039 -4.615 -4.379 1.00 0.40 H new ATOM 0 HD1 TYR A 35 1.634 -5.173 -6.770 1.00 0.50 H new ATOM 0 HD2 TYR A 35 -0.215 -7.400 -3.650 1.00 0.31 H new ATOM 0 HE1 TYR A 35 0.023 -6.086 -8.379 1.00 0.58 H new ATOM 0 HE2 TYR A 35 -1.820 -8.321 -5.258 1.00 0.39 H new ATOM 0 HH TYR A 35 -1.809 -7.301 -8.671 1.00 0.66 H new ATOM 543 N VAL A 36 2.175 -8.609 -3.618 1.00 0.14 N ATOM 544 CA VAL A 36 1.867 -9.997 -3.926 1.00 0.17 C ATOM 545 C VAL A 36 0.458 -10.351 -3.461 1.00 0.22 C ATOM 546 O VAL A 36 0.177 -10.413 -2.263 1.00 0.51 O ATOM 547 CB VAL A 36 2.896 -10.984 -3.327 1.00 0.32 C ATOM 548 CG1 VAL A 36 2.968 -10.866 -1.815 1.00 1.38 C ATOM 549 CG2 VAL A 36 2.565 -12.411 -3.737 1.00 1.13 C ATOM 0 H VAL A 36 1.772 -8.270 -2.745 1.00 0.14 H new ATOM 0 HA VAL A 36 1.923 -10.098 -5.010 1.00 0.17 H new ATOM 0 HB VAL A 36 3.877 -10.723 -3.725 1.00 0.32 H new ATOM 0 HG11 VAL A 36 3.701 -11.574 -1.429 1.00 1.38 H new ATOM 0 HG12 VAL A 36 3.264 -9.853 -1.543 1.00 1.38 H new ATOM 0 HG13 VAL A 36 1.990 -11.086 -1.386 1.00 1.38 H new ATOM 0 HG21 VAL A 36 3.299 -13.093 -3.307 1.00 1.13 H new ATOM 0 HG22 VAL A 36 1.571 -12.672 -3.374 1.00 1.13 H new ATOM 0 HG23 VAL A 36 2.588 -12.492 -4.824 1.00 1.13 H new ATOM 559 N THR A 37 -0.433 -10.568 -4.424 1.00 0.28 N ATOM 560 CA THR A 37 -1.821 -10.900 -4.116 1.00 0.34 C ATOM 561 C THR A 37 -2.007 -12.389 -3.929 1.00 0.26 C ATOM 562 O THR A 37 -1.188 -13.187 -4.400 1.00 0.26 O ATOM 563 CB THR A 37 -2.789 -10.444 -5.218 1.00 0.55 C ATOM 564 OG1 THR A 37 -3.998 -11.207 -5.149 1.00 1.41 O ATOM 565 CG2 THR A 37 -2.176 -10.610 -6.592 1.00 0.88 C ATOM 0 H THR A 37 -0.220 -10.520 -5.420 1.00 0.28 H new ATOM 0 HA THR A 37 -2.048 -10.371 -3.191 1.00 0.34 H new ATOM 0 HB THR A 37 -3.003 -9.387 -5.058 1.00 0.55 H new ATOM 0 HG1 THR A 37 -4.679 -10.697 -4.663 1.00 1.41 H new ATOM 0 HG21 THR A 37 -2.886 -10.279 -7.350 1.00 0.88 H new ATOM 0 HG22 THR A 37 -1.267 -10.012 -6.660 1.00 0.88 H new ATOM 0 HG23 THR A 37 -1.933 -11.660 -6.757 1.00 0.88 H new ATOM 573 N ASN A 38 -3.104 -12.753 -3.257 1.00 0.26 N ATOM 574 CA ASN A 38 -3.424 -14.157 -3.013 1.00 0.26 C ATOM 575 C ASN A 38 -3.515 -14.952 -4.319 1.00 0.31 C ATOM 576 O ASN A 38 -3.686 -16.170 -4.297 1.00 0.40 O ATOM 577 CB ASN A 38 -4.743 -14.272 -2.244 1.00 0.32 C ATOM 578 CG ASN A 38 -5.954 -14.076 -3.136 1.00 0.41 C ATOM 579 OD1 ASN A 38 -6.906 -14.853 -3.090 1.00 0.50 O ATOM 580 ND2 ASN A 38 -5.921 -13.032 -3.955 1.00 0.44 N ATOM 0 H ASN A 38 -3.782 -12.094 -2.874 1.00 0.26 H new ATOM 0 HA ASN A 38 -2.615 -14.580 -2.417 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -4.799 -15.252 -1.770 1.00 0.32 H new ATOM 0 HB3 ASN A 38 -4.760 -13.530 -1.445 1.00 0.32 H new ATOM 0 HD21 ASN A 38 -6.706 -12.849 -4.580 1.00 0.44 H new ATOM 0 HD22 ASN A 38 -5.110 -12.413 -3.960 1.00 0.44 H new ATOM 587 N ARG A 39 -3.390 -14.263 -5.455 1.00 0.32 N ATOM 588 CA ARG A 39 -3.448 -14.918 -6.755 1.00 0.43 C ATOM 589 C ARG A 39 -2.045 -15.256 -7.231 1.00 0.43 C ATOM 590 O ARG A 39 -1.838 -15.627 -8.387 1.00 0.65 O ATOM 591 CB ARG A 39 -4.137 -14.016 -7.781 1.00 0.51 C ATOM 592 CG ARG A 39 -5.347 -13.277 -7.231 1.00 0.55 C ATOM 593 CD ARG A 39 -5.712 -12.085 -8.099 1.00 0.61 C ATOM 594 NE ARG A 39 -7.071 -12.189 -8.626 1.00 1.05 N ATOM 595 CZ ARG A 39 -7.485 -11.579 -9.733 1.00 1.22 C ATOM 596 NH1 ARG A 39 -6.649 -10.820 -10.429 1.00 1.88 N ATOM 597 NH2 ARG A 39 -8.737 -11.726 -10.143 1.00 1.58 N ATOM 0 H ARG A 39 -3.248 -13.254 -5.497 1.00 0.32 H new ATOM 0 HA ARG A 39 -4.025 -15.837 -6.652 1.00 0.43 H new ATOM 0 HB2 ARG A 39 -3.416 -13.288 -8.154 1.00 0.51 H new ATOM 0 HB3 ARG A 39 -4.448 -14.621 -8.633 1.00 0.51 H new ATOM 0 HG2 ARG A 39 -6.195 -13.959 -7.172 1.00 0.55 H new ATOM 0 HG3 ARG A 39 -5.138 -12.939 -6.216 1.00 0.55 H new ATOM 0 HD2 ARG A 39 -5.618 -11.169 -7.516 1.00 0.61 H new ATOM 0 HD3 ARG A 39 -5.007 -12.009 -8.927 1.00 0.61 H new ATOM 0 HE ARG A 39 -7.741 -12.763 -8.115 1.00 1.05 H new ATOM 0 HH11 ARG A 39 -5.685 -10.703 -10.116 1.00 1.88 H new ATOM 0 HH12 ARG A 39 -6.970 -10.354 -11.278 1.00 1.88 H new ATOM 0 HH21 ARG A 39 -9.383 -12.307 -9.609 1.00 1.58 H new ATOM 0 HH22 ARG A 39 -9.054 -11.258 -10.992 1.00 1.58 H new ATOM 611 N GLY A 40 -1.083 -15.113 -6.328 1.00 0.37 N ATOM 612 CA GLY A 40 0.296 -15.393 -6.662 1.00 0.38 C ATOM 613 C GLY A 40 0.860 -14.401 -7.658 1.00 0.33 C ATOM 614 O GLY A 40 1.618 -14.778 -8.552 1.00 0.37 O ATOM 0 H GLY A 40 -1.236 -14.807 -5.367 1.00 0.37 H new ATOM 0 HA2 GLY A 40 0.898 -15.375 -5.754 1.00 0.38 H new ATOM 0 HA3 GLY A 40 0.371 -16.400 -7.073 1.00 0.38 H new ATOM 618 N ARG A 41 0.497 -13.126 -7.506 1.00 0.28 N ATOM 619 CA ARG A 41 0.996 -12.092 -8.416 1.00 0.25 C ATOM 620 C ARG A 41 2.041 -11.231 -7.720 1.00 0.26 C ATOM 621 O ARG A 41 1.980 -11.048 -6.511 1.00 0.54 O ATOM 622 CB ARG A 41 -0.153 -11.225 -8.949 1.00 0.29 C ATOM 623 CG ARG A 41 0.170 -9.734 -9.080 1.00 0.29 C ATOM 624 CD ARG A 41 -0.501 -9.139 -10.310 1.00 0.40 C ATOM 625 NE ARG A 41 -0.369 -10.006 -11.480 1.00 0.97 N ATOM 626 CZ ARG A 41 -0.405 -9.568 -12.735 1.00 1.06 C ATOM 627 NH1 ARG A 41 -0.566 -8.276 -12.988 1.00 1.54 N ATOM 628 NH2 ARG A 41 -0.281 -10.424 -13.739 1.00 1.61 N ATOM 0 H ARG A 41 -0.129 -12.788 -6.775 1.00 0.28 H new ATOM 0 HA ARG A 41 1.465 -12.586 -9.267 1.00 0.25 H new ATOM 0 HB2 ARG A 41 -0.451 -11.604 -9.926 1.00 0.29 H new ATOM 0 HB3 ARG A 41 -1.012 -11.339 -8.287 1.00 0.29 H new ATOM 0 HG2 ARG A 41 -0.164 -9.206 -8.187 1.00 0.29 H new ATOM 0 HG3 ARG A 41 1.249 -9.596 -9.147 1.00 0.29 H new ATOM 0 HD2 ARG A 41 -1.557 -8.971 -10.101 1.00 0.40 H new ATOM 0 HD3 ARG A 41 -0.060 -8.166 -10.528 1.00 0.40 H new ATOM 0 HE ARG A 41 -0.242 -11.006 -11.324 1.00 0.97 H new ATOM 0 HH11 ARG A 41 -0.663 -7.614 -12.218 1.00 1.54 H new ATOM 0 HH12 ARG A 41 -0.593 -7.945 -13.952 1.00 1.54 H new ATOM 0 HH21 ARG A 41 -0.158 -11.419 -13.549 1.00 1.61 H new ATOM 0 HH22 ARG A 41 -0.309 -10.088 -14.702 1.00 1.61 H new ATOM 642 N GLN A 42 2.998 -10.706 -8.485 1.00 0.26 N ATOM 643 CA GLN A 42 4.049 -9.870 -7.911 1.00 0.27 C ATOM 644 C GLN A 42 4.558 -8.832 -8.909 1.00 0.28 C ATOM 645 O GLN A 42 4.907 -9.161 -10.042 1.00 0.32 O ATOM 646 CB GLN A 42 5.213 -10.737 -7.429 1.00 0.34 C ATOM 647 CG GLN A 42 5.973 -10.135 -6.258 1.00 0.76 C ATOM 648 CD GLN A 42 6.565 -11.188 -5.341 1.00 0.89 C ATOM 649 OE1 GLN A 42 7.783 -11.277 -5.185 1.00 1.18 O ATOM 650 NE2 GLN A 42 5.703 -11.993 -4.729 1.00 1.37 N ATOM 0 H GLN A 42 3.066 -10.843 -9.493 1.00 0.26 H new ATOM 0 HA GLN A 42 3.615 -9.338 -7.064 1.00 0.27 H new ATOM 0 HB2 GLN A 42 4.831 -11.716 -7.139 1.00 0.34 H new ATOM 0 HB3 GLN A 42 5.904 -10.897 -8.257 1.00 0.34 H new ATOM 0 HG2 GLN A 42 6.772 -9.499 -6.638 1.00 0.76 H new ATOM 0 HG3 GLN A 42 5.302 -9.496 -5.685 1.00 0.76 H new ATOM 0 HE21 GLN A 42 4.701 -11.883 -4.888 1.00 1.37 H new ATOM 0 HE22 GLN A 42 6.043 -12.721 -4.100 1.00 1.37 H new ATOM 659 N LYS A 43 4.612 -7.576 -8.467 1.00 0.33 N ATOM 660 CA LYS A 43 5.097 -6.480 -9.307 1.00 0.38 C ATOM 661 C LYS A 43 6.110 -5.634 -8.551 1.00 0.27 C ATOM 662 O LYS A 43 6.321 -5.833 -7.355 1.00 0.20 O ATOM 663 CB LYS A 43 3.948 -5.581 -9.777 1.00 0.53 C ATOM 664 CG LYS A 43 2.570 -6.082 -9.395 1.00 0.36 C ATOM 665 CD LYS A 43 1.966 -6.926 -10.501 1.00 0.39 C ATOM 666 CE LYS A 43 1.134 -6.083 -11.454 1.00 0.57 C ATOM 667 NZ LYS A 43 1.659 -6.137 -12.846 1.00 1.77 N ATOM 0 H LYS A 43 4.325 -7.291 -7.530 1.00 0.33 H new ATOM 0 HA LYS A 43 5.571 -6.930 -10.180 1.00 0.38 H new ATOM 0 HB2 LYS A 43 4.088 -4.584 -9.360 1.00 0.53 H new ATOM 0 HB3 LYS A 43 3.999 -5.483 -10.861 1.00 0.53 H new ATOM 0 HG2 LYS A 43 2.635 -6.670 -8.480 1.00 0.36 H new ATOM 0 HG3 LYS A 43 1.918 -5.235 -9.184 1.00 0.36 H new ATOM 0 HD2 LYS A 43 2.761 -7.425 -11.055 1.00 0.39 H new ATOM 0 HD3 LYS A 43 1.343 -7.707 -10.065 1.00 0.39 H new ATOM 0 HE2 LYS A 43 0.102 -6.433 -11.442 1.00 0.57 H new ATOM 0 HE3 LYS A 43 1.124 -5.049 -11.110 1.00 0.57 H new ATOM 0 HZ1 LYS A 43 1.035 -5.591 -13.474 1.00 1.77 H new ATOM 0 HZ2 LYS A 43 2.617 -5.732 -12.872 1.00 1.77 H new ATOM 0 HZ3 LYS A 43 1.692 -7.126 -13.166 1.00 1.77 H new ATOM 681 N VAL A 44 6.723 -4.686 -9.263 1.00 0.34 N ATOM 682 CA VAL A 44 7.711 -3.783 -8.678 1.00 0.28 C ATOM 683 C VAL A 44 7.819 -2.499 -9.504 1.00 0.32 C ATOM 684 O VAL A 44 7.780 -2.542 -10.735 1.00 0.46 O ATOM 685 CB VAL A 44 9.099 -4.452 -8.574 1.00 0.37 C ATOM 686 CG1 VAL A 44 9.645 -4.783 -9.954 1.00 1.34 C ATOM 687 CG2 VAL A 44 10.067 -3.561 -7.808 1.00 1.47 C ATOM 0 H VAL A 44 6.549 -4.525 -10.255 1.00 0.34 H new ATOM 0 HA VAL A 44 7.373 -3.538 -7.671 1.00 0.28 H new ATOM 0 HB VAL A 44 8.987 -5.386 -8.024 1.00 0.37 H new ATOM 0 HG11 VAL A 44 10.623 -5.253 -9.855 1.00 1.34 H new ATOM 0 HG12 VAL A 44 8.963 -5.466 -10.461 1.00 1.34 H new ATOM 0 HG13 VAL A 44 9.740 -3.867 -10.537 1.00 1.34 H new ATOM 0 HG21 VAL A 44 11.039 -4.050 -7.745 1.00 1.47 H new ATOM 0 HG22 VAL A 44 10.172 -2.608 -8.327 1.00 1.47 H new ATOM 0 HG23 VAL A 44 9.683 -3.386 -6.803 1.00 1.47 H new ATOM 697 N VAL A 45 7.944 -1.359 -8.826 1.00 0.21 N ATOM 698 CA VAL A 45 8.043 -0.069 -9.510 1.00 0.26 C ATOM 699 C VAL A 45 8.997 0.877 -8.793 1.00 0.23 C ATOM 700 O VAL A 45 9.331 0.672 -7.627 1.00 0.27 O ATOM 701 CB VAL A 45 6.667 0.617 -9.621 1.00 0.30 C ATOM 702 CG1 VAL A 45 5.737 -0.184 -10.518 1.00 0.50 C ATOM 703 CG2 VAL A 45 6.056 0.811 -8.240 1.00 0.33 C ATOM 0 H VAL A 45 7.979 -1.301 -7.808 1.00 0.21 H new ATOM 0 HA VAL A 45 8.427 -0.282 -10.508 1.00 0.26 H new ATOM 0 HB VAL A 45 6.807 1.599 -10.073 1.00 0.30 H new ATOM 0 HG11 VAL A 45 4.772 0.318 -10.582 1.00 0.50 H new ATOM 0 HG12 VAL A 45 6.172 -0.263 -11.514 1.00 0.50 H new ATOM 0 HG13 VAL A 45 5.600 -1.182 -10.101 1.00 0.50 H new ATOM 0 HG21 VAL A 45 5.085 1.297 -8.337 1.00 0.33 H new ATOM 0 HG22 VAL A 45 5.930 -0.159 -7.758 1.00 0.33 H new ATOM 0 HG23 VAL A 45 6.715 1.434 -7.635 1.00 0.33 H new ATOM 713 N THR A 46 9.423 1.923 -9.497 1.00 0.29 N ATOM 714 CA THR A 46 10.330 2.909 -8.925 1.00 0.27 C ATOM 715 C THR A 46 9.562 4.117 -8.403 1.00 0.26 C ATOM 716 O THR A 46 8.606 4.577 -9.029 1.00 0.31 O ATOM 717 CB THR A 46 11.384 3.385 -9.945 1.00 0.33 C ATOM 718 OG1 THR A 46 10.746 4.073 -11.026 1.00 0.39 O ATOM 719 CG2 THR A 46 12.184 2.211 -10.487 1.00 0.39 C ATOM 0 H THR A 46 9.154 2.108 -10.463 1.00 0.29 H new ATOM 0 HA THR A 46 10.844 2.416 -8.100 1.00 0.27 H new ATOM 0 HB THR A 46 12.067 4.065 -9.435 1.00 0.33 H new ATOM 0 HG1 THR A 46 11.423 4.373 -11.668 1.00 0.39 H new ATOM 0 HG21 THR A 46 12.921 2.573 -11.204 1.00 0.39 H new ATOM 0 HG22 THR A 46 12.694 1.708 -9.665 1.00 0.39 H new ATOM 0 HG23 THR A 46 11.511 1.509 -10.980 1.00 0.39 H new ATOM 727 N LEU A 47 9.980 4.615 -7.245 1.00 0.22 N ATOM 728 CA LEU A 47 9.322 5.762 -6.625 1.00 0.24 C ATOM 729 C LEU A 47 9.982 7.078 -7.022 1.00 0.29 C ATOM 730 O LEU A 47 11.203 7.166 -7.142 1.00 0.36 O ATOM 731 CB LEU A 47 9.333 5.620 -5.100 1.00 0.35 C ATOM 732 CG LEU A 47 8.409 4.537 -4.537 1.00 0.52 C ATOM 733 CD1 LEU A 47 7.007 4.669 -5.114 1.00 0.74 C ATOM 734 CD2 LEU A 47 8.979 3.156 -4.817 1.00 1.31 C ATOM 0 H LEU A 47 10.770 4.244 -6.716 1.00 0.22 H new ATOM 0 HA LEU A 47 8.293 5.779 -6.984 1.00 0.24 H new ATOM 0 HB2 LEU A 47 10.353 5.407 -4.779 1.00 0.35 H new ATOM 0 HB3 LEU A 47 9.053 6.577 -4.660 1.00 0.35 H new ATOM 0 HG LEU A 47 8.343 4.670 -3.457 1.00 0.52 H new ATOM 0 HD11 LEU A 47 6.368 3.889 -4.700 1.00 0.74 H new ATOM 0 HD12 LEU A 47 6.599 5.647 -4.858 1.00 0.74 H new ATOM 0 HD13 LEU A 47 7.049 4.566 -6.198 1.00 0.74 H new ATOM 0 HD21 LEU A 47 8.310 2.397 -4.410 1.00 1.31 H new ATOM 0 HD22 LEU A 47 9.077 3.014 -5.893 1.00 1.31 H new ATOM 0 HD23 LEU A 47 9.959 3.065 -4.348 1.00 1.31 H new ATOM 746 N THR A 48 9.153 8.100 -7.213 1.00 0.29 N ATOM 747 CA THR A 48 9.631 9.427 -7.583 1.00 0.38 C ATOM 748 C THR A 48 8.852 10.501 -6.830 1.00 0.37 C ATOM 749 O THR A 48 7.640 10.636 -7.007 1.00 0.37 O ATOM 750 CB THR A 48 9.500 9.673 -9.097 1.00 0.46 C ATOM 751 OG1 THR A 48 8.285 9.091 -9.585 1.00 0.52 O ATOM 752 CG2 THR A 48 10.687 9.084 -9.844 1.00 0.60 C ATOM 0 H THR A 48 8.140 8.033 -7.117 1.00 0.29 H new ATOM 0 HA THR A 48 10.686 9.480 -7.313 1.00 0.38 H new ATOM 0 HB THR A 48 9.480 10.749 -9.268 1.00 0.46 H new ATOM 0 HG1 THR A 48 7.550 9.309 -8.975 1.00 0.52 H new ATOM 0 HG21 THR A 48 10.573 9.270 -10.912 1.00 0.60 H new ATOM 0 HG22 THR A 48 11.607 9.550 -9.491 1.00 0.60 H new ATOM 0 HG23 THR A 48 10.733 8.010 -9.665 1.00 0.60 H new ATOM 760 N ASP A 49 9.551 11.254 -5.984 1.00 0.40 N ATOM 761 CA ASP A 49 8.924 12.310 -5.192 1.00 0.42 C ATOM 762 C ASP A 49 7.905 11.721 -4.221 1.00 0.39 C ATOM 763 O ASP A 49 6.997 12.414 -3.761 1.00 0.48 O ATOM 764 CB ASP A 49 8.244 13.339 -6.101 1.00 0.45 C ATOM 765 CG ASP A 49 8.463 14.764 -5.629 1.00 1.01 C ATOM 766 OD1 ASP A 49 9.599 15.087 -5.220 1.00 1.01 O ATOM 767 OD2 ASP A 49 7.499 15.556 -5.667 1.00 1.86 O ATOM 0 H ASP A 49 10.554 11.152 -5.829 1.00 0.40 H new ATOM 0 HA ASP A 49 9.706 12.811 -4.621 1.00 0.42 H new ATOM 0 HB2 ASP A 49 8.628 13.233 -7.116 1.00 0.45 H new ATOM 0 HB3 ASP A 49 7.174 13.133 -6.141 1.00 0.45 H new ATOM 772 N THR A 50 8.061 10.435 -3.916 1.00 0.33 N ATOM 773 CA THR A 50 7.156 9.746 -3.003 1.00 0.30 C ATOM 774 C THR A 50 7.835 9.444 -1.669 1.00 0.35 C ATOM 775 O THR A 50 8.973 8.975 -1.632 1.00 0.45 O ATOM 776 CB THR A 50 6.643 8.425 -3.611 1.00 0.25 C ATOM 777 OG1 THR A 50 7.588 7.376 -3.374 1.00 0.73 O ATOM 778 CG2 THR A 50 6.404 8.570 -5.106 1.00 0.56 C ATOM 0 H THR A 50 8.808 9.849 -4.289 1.00 0.33 H new ATOM 0 HA THR A 50 6.313 10.416 -2.834 1.00 0.30 H new ATOM 0 HB THR A 50 5.696 8.177 -3.132 1.00 0.25 H new ATOM 0 HG1 THR A 50 7.163 6.665 -2.851 1.00 0.73 H new ATOM 0 HG21 THR A 50 6.043 7.624 -5.510 1.00 0.56 H new ATOM 0 HG22 THR A 50 5.661 9.347 -5.282 1.00 0.56 H new ATOM 0 HG23 THR A 50 7.337 8.842 -5.599 1.00 0.56 H new ATOM 786 N THR A 51 7.123 9.704 -0.575 1.00 0.41 N ATOM 787 CA THR A 51 7.647 9.447 0.764 1.00 0.48 C ATOM 788 C THR A 51 7.919 7.966 0.951 1.00 0.35 C ATOM 789 O THR A 51 7.478 7.152 0.147 1.00 0.33 O ATOM 790 CB THR A 51 6.653 9.892 1.850 1.00 0.64 C ATOM 791 OG1 THR A 51 5.891 11.013 1.385 1.00 0.63 O ATOM 792 CG2 THR A 51 7.377 10.264 3.135 1.00 0.84 C ATOM 0 H THR A 51 6.180 10.093 -0.590 1.00 0.41 H new ATOM 0 HA THR A 51 8.570 10.018 0.862 1.00 0.48 H new ATOM 0 HB THR A 51 5.985 9.057 2.060 1.00 0.64 H new ATOM 0 HG1 THR A 51 5.908 11.723 2.060 1.00 0.63 H new ATOM 0 HG21 THR A 51 6.650 10.575 3.885 1.00 0.84 H new ATOM 0 HG22 THR A 51 7.932 9.401 3.503 1.00 0.84 H new ATOM 0 HG23 THR A 51 8.069 11.083 2.939 1.00 0.84 H new ATOM 800 N ASN A 52 8.627 7.616 2.020 1.00 0.30 N ATOM 801 CA ASN A 52 8.927 6.220 2.299 1.00 0.26 C ATOM 802 C ASN A 52 7.627 5.441 2.412 1.00 0.19 C ATOM 803 O ASN A 52 7.449 4.395 1.784 1.00 0.20 O ATOM 804 CB ASN A 52 9.750 6.083 3.584 1.00 0.29 C ATOM 805 CG ASN A 52 8.984 6.512 4.819 1.00 0.54 C ATOM 806 OD1 ASN A 52 8.763 5.717 5.734 1.00 0.71 O ATOM 807 ND2 ASN A 52 8.572 7.774 4.853 1.00 0.80 N ATOM 0 H ASN A 52 9.001 8.276 2.702 1.00 0.30 H new ATOM 0 HA ASN A 52 9.522 5.814 1.481 1.00 0.26 H new ATOM 0 HB2 ASN A 52 10.065 5.046 3.699 1.00 0.29 H new ATOM 0 HB3 ASN A 52 10.655 6.684 3.496 1.00 0.29 H new ATOM 0 HD21 ASN A 52 8.051 8.119 5.659 1.00 0.80 H new ATOM 0 HD22 ASN A 52 8.777 8.399 4.073 1.00 0.80 H new ATOM 814 N GLN A 53 6.702 5.987 3.190 1.00 0.17 N ATOM 815 CA GLN A 53 5.396 5.380 3.360 1.00 0.20 C ATOM 816 C GLN A 53 4.644 5.449 2.039 1.00 0.24 C ATOM 817 O GLN A 53 3.795 4.607 1.742 1.00 0.34 O ATOM 818 CB GLN A 53 4.616 6.090 4.464 1.00 0.27 C ATOM 819 CG GLN A 53 5.355 6.137 5.792 1.00 0.89 C ATOM 820 CD GLN A 53 5.287 7.506 6.436 1.00 1.75 C ATOM 821 OE1 GLN A 53 6.183 8.332 6.271 1.00 2.48 O ATOM 822 NE2 GLN A 53 4.215 7.748 7.176 1.00 1.81 N ATOM 0 H GLN A 53 6.836 6.852 3.713 1.00 0.17 H new ATOM 0 HA GLN A 53 5.513 4.337 3.655 1.00 0.20 H new ATOM 0 HB2 GLN A 53 4.394 7.108 4.144 1.00 0.27 H new ATOM 0 HB3 GLN A 53 3.661 5.585 4.606 1.00 0.27 H new ATOM 0 HG2 GLN A 53 4.929 5.397 6.469 1.00 0.89 H new ATOM 0 HG3 GLN A 53 6.398 5.862 5.635 1.00 0.89 H new ATOM 0 HE21 GLN A 53 3.497 7.031 7.284 1.00 1.81 H new ATOM 0 HE22 GLN A 53 4.107 8.651 7.638 1.00 1.81 H new ATOM 831 N LYS A 54 4.979 6.462 1.246 1.00 0.20 N ATOM 832 CA LYS A 54 4.364 6.657 -0.057 1.00 0.27 C ATOM 833 C LYS A 54 4.868 5.605 -1.035 1.00 0.24 C ATOM 834 O LYS A 54 4.169 5.240 -1.975 1.00 0.27 O ATOM 835 CB LYS A 54 4.636 8.072 -0.575 1.00 0.34 C ATOM 836 CG LYS A 54 3.701 9.140 0.000 1.00 0.50 C ATOM 837 CD LYS A 54 3.041 8.693 1.302 1.00 0.80 C ATOM 838 CE LYS A 54 3.423 9.571 2.473 1.00 0.61 C ATOM 839 NZ LYS A 54 3.271 11.020 2.168 1.00 1.52 N ATOM 0 H LYS A 54 5.679 7.164 1.488 1.00 0.20 H new ATOM 0 HA LYS A 54 3.284 6.542 0.041 1.00 0.27 H new ATOM 0 HB2 LYS A 54 5.666 8.341 -0.340 1.00 0.34 H new ATOM 0 HB3 LYS A 54 4.546 8.073 -1.661 1.00 0.34 H new ATOM 0 HG2 LYS A 54 4.265 10.056 0.177 1.00 0.50 H new ATOM 0 HG3 LYS A 54 2.930 9.377 -0.733 1.00 0.50 H new ATOM 0 HD2 LYS A 54 1.958 8.705 1.180 1.00 0.80 H new ATOM 0 HD3 LYS A 54 3.326 7.663 1.516 1.00 0.80 H new ATOM 0 HE2 LYS A 54 2.803 9.316 3.332 1.00 0.61 H new ATOM 0 HE3 LYS A 54 4.456 9.368 2.754 1.00 0.61 H new ATOM 0 HZ1 LYS A 54 3.057 11.539 3.044 1.00 1.52 H new ATOM 0 HZ2 LYS A 54 4.155 11.383 1.758 1.00 1.52 H new ATOM 0 HZ3 LYS A 54 2.494 11.152 1.489 1.00 1.52 H new ATOM 853 N THR A 55 6.070 5.087 -0.783 1.00 0.21 N ATOM 854 CA THR A 55 6.623 4.038 -1.625 1.00 0.23 C ATOM 855 C THR A 55 5.758 2.808 -1.453 1.00 0.19 C ATOM 856 O THR A 55 5.481 2.074 -2.401 1.00 0.21 O ATOM 857 CB THR A 55 8.078 3.686 -1.254 1.00 0.29 C ATOM 858 OG1 THR A 55 8.099 2.743 -0.175 1.00 0.30 O ATOM 859 CG2 THR A 55 8.852 4.930 -0.857 1.00 0.34 C ATOM 0 H THR A 55 6.670 5.376 -0.010 1.00 0.21 H new ATOM 0 HA THR A 55 6.632 4.391 -2.656 1.00 0.23 H new ATOM 0 HB THR A 55 8.552 3.245 -2.130 1.00 0.29 H new ATOM 0 HG1 THR A 55 7.751 3.167 0.637 1.00 0.30 H new ATOM 0 HG21 THR A 55 9.875 4.655 -0.600 1.00 0.34 H new ATOM 0 HG22 THR A 55 8.863 5.633 -1.690 1.00 0.34 H new ATOM 0 HG23 THR A 55 8.374 5.396 0.005 1.00 0.34 H new ATOM 867 N GLU A 56 5.301 2.632 -0.221 1.00 0.16 N ATOM 868 CA GLU A 56 4.417 1.535 0.127 1.00 0.18 C ATOM 869 C GLU A 56 3.002 1.900 -0.298 1.00 0.18 C ATOM 870 O GLU A 56 2.168 1.032 -0.553 1.00 0.22 O ATOM 871 CB GLU A 56 4.461 1.253 1.633 1.00 0.19 C ATOM 872 CG GLU A 56 5.351 2.209 2.418 1.00 0.21 C ATOM 873 CD GLU A 56 6.577 1.526 2.991 1.00 0.39 C ATOM 874 OE1 GLU A 56 6.865 0.381 2.582 1.00 0.52 O ATOM 875 OE2 GLU A 56 7.249 2.135 3.849 1.00 0.65 O ATOM 0 H GLU A 56 5.533 3.245 0.561 1.00 0.16 H new ATOM 0 HA GLU A 56 4.742 0.631 -0.389 1.00 0.18 H new ATOM 0 HB2 GLU A 56 3.448 1.306 2.032 1.00 0.19 H new ATOM 0 HB3 GLU A 56 4.813 0.233 1.791 1.00 0.19 H new ATOM 0 HG2 GLU A 56 5.665 3.025 1.767 1.00 0.21 H new ATOM 0 HG3 GLU A 56 4.774 2.653 3.229 1.00 0.21 H new ATOM 882 N LEU A 57 2.756 3.207 -0.388 1.00 0.18 N ATOM 883 CA LEU A 57 1.459 3.721 -0.801 1.00 0.22 C ATOM 884 C LEU A 57 1.282 3.528 -2.298 1.00 0.23 C ATOM 885 O LEU A 57 0.178 3.275 -2.778 1.00 0.29 O ATOM 886 CB LEU A 57 1.324 5.204 -0.435 1.00 0.25 C ATOM 887 CG LEU A 57 -0.093 5.682 -0.088 1.00 0.42 C ATOM 888 CD1 LEU A 57 -0.748 6.288 -1.307 1.00 0.99 C ATOM 889 CD2 LEU A 57 -0.950 4.547 0.454 1.00 1.24 C ATOM 0 H LEU A 57 3.445 3.929 -0.178 1.00 0.18 H new ATOM 0 HA LEU A 57 0.680 3.169 -0.276 1.00 0.22 H new ATOM 0 HB2 LEU A 57 1.974 5.409 0.415 1.00 0.25 H new ATOM 0 HB3 LEU A 57 1.693 5.800 -1.270 1.00 0.25 H new ATOM 0 HG LEU A 57 -0.008 6.438 0.692 1.00 0.42 H new ATOM 0 HD11 LEU A 57 -1.753 6.624 -1.051 1.00 0.99 H new ATOM 0 HD12 LEU A 57 -0.158 7.137 -1.653 1.00 0.99 H new ATOM 0 HD13 LEU A 57 -0.806 5.541 -2.098 1.00 0.99 H new ATOM 0 HD21 LEU A 57 -1.946 4.923 0.689 1.00 1.24 H new ATOM 0 HD22 LEU A 57 -1.027 3.759 -0.295 1.00 1.24 H new ATOM 0 HD23 LEU A 57 -0.492 4.145 1.358 1.00 1.24 H new ATOM 901 N GLN A 58 2.389 3.610 -3.032 1.00 0.20 N ATOM 902 CA GLN A 58 2.356 3.398 -4.465 1.00 0.20 C ATOM 903 C GLN A 58 2.136 1.916 -4.705 1.00 0.20 C ATOM 904 O GLN A 58 1.353 1.513 -5.567 1.00 0.22 O ATOM 905 CB GLN A 58 3.656 3.871 -5.125 1.00 0.20 C ATOM 906 CG GLN A 58 3.852 3.332 -6.536 1.00 0.22 C ATOM 907 CD GLN A 58 2.719 3.719 -7.470 1.00 0.23 C ATOM 908 OE1 GLN A 58 2.575 4.884 -7.841 1.00 0.27 O ATOM 909 NE2 GLN A 58 1.909 2.737 -7.855 1.00 0.24 N ATOM 0 H GLN A 58 3.313 3.821 -2.655 1.00 0.20 H new ATOM 0 HA GLN A 58 1.548 3.979 -4.910 1.00 0.20 H new ATOM 0 HB2 GLN A 58 3.663 4.961 -5.157 1.00 0.20 H new ATOM 0 HB3 GLN A 58 4.500 3.565 -4.507 1.00 0.20 H new ATOM 0 HG2 GLN A 58 4.793 3.708 -6.937 1.00 0.22 H new ATOM 0 HG3 GLN A 58 3.932 2.246 -6.498 1.00 0.22 H new ATOM 0 HE21 GLN A 58 2.067 1.786 -7.522 1.00 0.24 H new ATOM 0 HE22 GLN A 58 1.130 2.935 -8.483 1.00 0.24 H new ATOM 918 N ALA A 59 2.804 1.108 -3.884 1.00 0.21 N ATOM 919 CA ALA A 59 2.656 -0.331 -3.951 1.00 0.21 C ATOM 920 C ALA A 59 1.228 -0.687 -3.576 1.00 0.19 C ATOM 921 O ALA A 59 0.668 -1.673 -4.053 1.00 0.20 O ATOM 922 CB ALA A 59 3.651 -1.016 -3.025 1.00 0.24 C ATOM 0 H ALA A 59 3.452 1.433 -3.166 1.00 0.21 H new ATOM 0 HA ALA A 59 2.863 -0.678 -4.963 1.00 0.21 H new ATOM 0 HB1 ALA A 59 3.524 -2.097 -3.090 1.00 0.24 H new ATOM 0 HB2 ALA A 59 4.666 -0.752 -3.322 1.00 0.24 H new ATOM 0 HB3 ALA A 59 3.477 -0.691 -1.999 1.00 0.24 H new ATOM 928 N ILE A 60 0.636 0.159 -2.727 1.00 0.20 N ATOM 929 CA ILE A 60 -0.741 -0.025 -2.295 1.00 0.21 C ATOM 930 C ILE A 60 -1.644 -0.031 -3.517 1.00 0.20 C ATOM 931 O ILE A 60 -2.557 -0.846 -3.629 1.00 0.21 O ATOM 932 CB ILE A 60 -1.175 1.081 -1.297 1.00 0.25 C ATOM 933 CG1 ILE A 60 -1.074 0.553 0.137 1.00 0.19 C ATOM 934 CG2 ILE A 60 -2.586 1.572 -1.594 1.00 0.43 C ATOM 935 CD1 ILE A 60 -1.744 1.430 1.176 1.00 0.67 C ATOM 0 H ILE A 60 1.095 0.978 -2.328 1.00 0.20 H new ATOM 0 HA ILE A 60 -0.824 -0.978 -1.772 1.00 0.21 H new ATOM 0 HB ILE A 60 -0.503 1.932 -1.411 1.00 0.25 H new ATOM 0 HG12 ILE A 60 -1.519 -0.441 0.177 1.00 0.19 H new ATOM 0 HG13 ILE A 60 -0.021 0.442 0.397 1.00 0.19 H new ATOM 0 HG21 ILE A 60 -2.860 2.346 -0.877 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -2.624 1.982 -2.603 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -3.285 0.740 -1.514 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -1.624 0.982 2.162 1.00 0.67 H new ATOM 0 HD12 ILE A 60 -1.285 2.419 1.169 1.00 0.67 H new ATOM 0 HD13 ILE A 60 -2.805 1.521 0.945 1.00 0.67 H new ATOM 947 N TYR A 61 -1.349 0.872 -4.443 1.00 0.22 N ATOM 948 CA TYR A 61 -2.094 0.974 -5.687 1.00 0.24 C ATOM 949 C TYR A 61 -1.994 -0.340 -6.457 1.00 0.25 C ATOM 950 O TYR A 61 -2.961 -0.783 -7.073 1.00 0.27 O ATOM 951 CB TYR A 61 -1.543 2.140 -6.520 1.00 0.27 C ATOM 952 CG TYR A 61 -1.692 1.986 -8.023 1.00 0.22 C ATOM 953 CD1 TYR A 61 -0.757 1.273 -8.771 1.00 0.26 C ATOM 954 CD2 TYR A 61 -2.760 2.568 -8.695 1.00 0.24 C ATOM 955 CE1 TYR A 61 -0.888 1.145 -10.140 1.00 0.30 C ATOM 956 CE2 TYR A 61 -2.894 2.447 -10.065 1.00 0.27 C ATOM 957 CZ TYR A 61 -1.956 1.736 -10.783 1.00 0.30 C ATOM 958 OH TYR A 61 -2.086 1.614 -12.147 1.00 0.38 O ATOM 0 H TYR A 61 -0.592 1.549 -4.353 1.00 0.22 H new ATOM 0 HA TYR A 61 -3.145 1.167 -5.472 1.00 0.24 H new ATOM 0 HB2 TYR A 61 -2.048 3.056 -6.213 1.00 0.27 H new ATOM 0 HB3 TYR A 61 -0.486 2.265 -6.286 1.00 0.27 H new ATOM 0 HD1 TYR A 61 0.083 0.813 -8.272 1.00 0.26 H new ATOM 0 HD2 TYR A 61 -3.498 3.125 -8.137 1.00 0.24 H new ATOM 0 HE1 TYR A 61 -0.158 0.585 -10.705 1.00 0.30 H new ATOM 0 HE2 TYR A 61 -3.730 2.907 -10.571 1.00 0.27 H new ATOM 0 HH TYR A 61 -2.892 2.087 -12.442 1.00 0.38 H new ATOM 968 N LEU A 62 -0.814 -0.957 -6.410 1.00 0.25 N ATOM 969 CA LEU A 62 -0.579 -2.225 -7.100 1.00 0.26 C ATOM 970 C LEU A 62 -1.473 -3.322 -6.547 1.00 0.25 C ATOM 971 O LEU A 62 -2.219 -3.970 -7.285 1.00 0.28 O ATOM 972 CB LEU A 62 0.878 -2.657 -6.933 1.00 0.30 C ATOM 973 CG LEU A 62 1.914 -1.560 -7.186 1.00 0.54 C ATOM 974 CD1 LEU A 62 3.308 -2.050 -6.826 1.00 0.55 C ATOM 975 CD2 LEU A 62 1.866 -1.109 -8.638 1.00 0.91 C ATOM 0 H LEU A 62 -0.006 -0.599 -5.901 1.00 0.25 H new ATOM 0 HA LEU A 62 -0.807 -2.071 -8.155 1.00 0.26 H new ATOM 0 HB2 LEU A 62 1.014 -3.037 -5.920 1.00 0.30 H new ATOM 0 HB3 LEU A 62 1.075 -3.485 -7.614 1.00 0.30 H new ATOM 0 HG LEU A 62 1.675 -0.707 -6.551 1.00 0.54 H new ATOM 0 HD11 LEU A 62 4.032 -1.257 -7.012 1.00 0.55 H new ATOM 0 HD12 LEU A 62 3.336 -2.326 -5.772 1.00 0.55 H new ATOM 0 HD13 LEU A 62 3.557 -2.919 -7.435 1.00 0.55 H new ATOM 0 HD21 LEU A 62 2.609 -0.328 -8.801 1.00 0.91 H new ATOM 0 HD22 LEU A 62 2.081 -1.956 -9.289 1.00 0.91 H new ATOM 0 HD23 LEU A 62 0.874 -0.719 -8.865 1.00 0.91 H new ATOM 987 N ALA A 63 -1.390 -3.523 -5.240 1.00 0.25 N ATOM 988 CA ALA A 63 -2.183 -4.539 -4.575 1.00 0.29 C ATOM 989 C ALA A 63 -3.659 -4.220 -4.683 1.00 0.23 C ATOM 990 O ALA A 63 -4.497 -5.115 -4.750 1.00 0.29 O ATOM 991 CB ALA A 63 -1.766 -4.657 -3.119 1.00 0.41 C ATOM 0 H ALA A 63 -0.778 -2.992 -4.620 1.00 0.25 H new ATOM 0 HA ALA A 63 -2.007 -5.496 -5.067 1.00 0.29 H new ATOM 0 HB1 ALA A 63 -2.368 -5.423 -2.629 1.00 0.41 H new ATOM 0 HB2 ALA A 63 -0.713 -4.932 -3.063 1.00 0.41 H new ATOM 0 HB3 ALA A 63 -1.918 -3.701 -2.618 1.00 0.41 H new ATOM 997 N LEU A 64 -3.962 -2.931 -4.713 1.00 0.19 N ATOM 998 CA LEU A 64 -5.342 -2.476 -4.822 1.00 0.22 C ATOM 999 C LEU A 64 -5.805 -2.514 -6.271 1.00 0.27 C ATOM 1000 O LEU A 64 -7.002 -2.479 -6.554 1.00 0.43 O ATOM 1001 CB LEU A 64 -5.490 -1.068 -4.250 1.00 0.31 C ATOM 1002 CG LEU A 64 -6.174 -1.004 -2.883 1.00 0.27 C ATOM 1003 CD1 LEU A 64 -5.193 -0.557 -1.814 1.00 0.57 C ATOM 1004 CD2 LEU A 64 -7.374 -0.072 -2.932 1.00 0.42 C ATOM 0 H LEU A 64 -3.272 -2.181 -4.664 1.00 0.19 H new ATOM 0 HA LEU A 64 -5.972 -3.151 -4.242 1.00 0.22 H new ATOM 0 HB2 LEU A 64 -4.501 -0.618 -4.168 1.00 0.31 H new ATOM 0 HB3 LEU A 64 -6.059 -0.462 -4.955 1.00 0.31 H new ATOM 0 HG LEU A 64 -6.525 -2.004 -2.627 1.00 0.27 H new ATOM 0 HD11 LEU A 64 -5.699 -0.518 -0.849 1.00 0.57 H new ATOM 0 HD12 LEU A 64 -4.365 -1.264 -1.761 1.00 0.57 H new ATOM 0 HD13 LEU A 64 -4.810 0.432 -2.063 1.00 0.57 H new ATOM 0 HD21 LEU A 64 -7.849 -0.038 -1.951 1.00 0.42 H new ATOM 0 HD22 LEU A 64 -7.046 0.929 -3.211 1.00 0.42 H new ATOM 0 HD23 LEU A 64 -8.089 -0.438 -3.669 1.00 0.42 H new ATOM 1016 N GLN A 65 -4.845 -2.593 -7.187 1.00 0.22 N ATOM 1017 CA GLN A 65 -5.148 -2.646 -8.609 1.00 0.26 C ATOM 1018 C GLN A 65 -5.800 -3.976 -8.968 1.00 0.25 C ATOM 1019 O GLN A 65 -6.760 -4.020 -9.737 1.00 0.29 O ATOM 1020 CB GLN A 65 -3.876 -2.445 -9.434 1.00 0.29 C ATOM 1021 CG GLN A 65 -3.710 -1.028 -9.958 1.00 0.34 C ATOM 1022 CD GLN A 65 -4.678 -0.707 -11.080 1.00 0.49 C ATOM 1023 OE1 GLN A 65 -4.535 -1.201 -12.199 1.00 1.29 O ATOM 1024 NE2 GLN A 65 -5.671 0.125 -10.786 1.00 0.54 N ATOM 0 H GLN A 65 -3.849 -2.622 -6.967 1.00 0.22 H new ATOM 0 HA GLN A 65 -5.847 -1.842 -8.840 1.00 0.26 H new ATOM 0 HB2 GLN A 65 -3.011 -2.701 -8.822 1.00 0.29 H new ATOM 0 HB3 GLN A 65 -3.886 -3.136 -10.277 1.00 0.29 H new ATOM 0 HG2 GLN A 65 -3.859 -0.322 -9.141 1.00 0.34 H new ATOM 0 HG3 GLN A 65 -2.689 -0.893 -10.314 1.00 0.34 H new ATOM 0 HE21 GLN A 65 -5.751 0.511 -9.845 1.00 0.54 H new ATOM 0 HE22 GLN A 65 -6.353 0.378 -11.501 1.00 0.54 H new ATOM 1033 N ASP A 66 -5.269 -5.062 -8.410 1.00 0.25 N ATOM 1034 CA ASP A 66 -5.802 -6.391 -8.678 1.00 0.28 C ATOM 1035 C ASP A 66 -6.591 -6.931 -7.485 1.00 0.26 C ATOM 1036 O ASP A 66 -6.905 -8.121 -7.431 1.00 0.37 O ATOM 1037 CB ASP A 66 -4.668 -7.355 -9.030 1.00 0.35 C ATOM 1038 CG ASP A 66 -3.927 -6.943 -10.287 1.00 0.51 C ATOM 1039 OD1 ASP A 66 -3.653 -5.735 -10.447 1.00 0.84 O ATOM 1040 OD2 ASP A 66 -3.619 -7.829 -11.112 1.00 0.75 O ATOM 0 H ASP A 66 -4.473 -5.046 -7.772 1.00 0.25 H new ATOM 0 HA ASP A 66 -6.484 -6.309 -9.525 1.00 0.28 H new ATOM 0 HB2 ASP A 66 -3.966 -7.405 -8.198 1.00 0.35 H new ATOM 0 HB3 ASP A 66 -5.075 -8.357 -9.164 1.00 0.35 H new ATOM 1045 N SER A 67 -6.909 -6.058 -6.528 1.00 0.24 N ATOM 1046 CA SER A 67 -7.662 -6.471 -5.344 1.00 0.25 C ATOM 1047 C SER A 67 -9.007 -7.070 -5.735 1.00 0.43 C ATOM 1048 O SER A 67 -9.405 -8.116 -5.222 1.00 1.15 O ATOM 1049 CB SER A 67 -7.882 -5.292 -4.388 1.00 0.23 C ATOM 1050 OG SER A 67 -6.697 -4.975 -3.683 1.00 1.26 O ATOM 0 H SER A 67 -6.659 -5.069 -6.549 1.00 0.24 H new ATOM 0 HA SER A 67 -7.071 -7.231 -4.833 1.00 0.25 H new ATOM 0 HB2 SER A 67 -8.216 -4.421 -4.952 1.00 0.23 H new ATOM 0 HB3 SER A 67 -8.674 -5.537 -3.681 1.00 0.23 H new ATOM 0 HG SER A 67 -5.935 -5.421 -4.108 1.00 1.26 H new ATOM 1056 N GLY A 68 -9.707 -6.400 -6.643 1.00 0.54 N ATOM 1057 CA GLY A 68 -11.003 -6.884 -7.077 1.00 0.53 C ATOM 1058 C GLY A 68 -12.134 -6.241 -6.318 1.00 0.52 C ATOM 1059 O GLY A 68 -12.603 -5.161 -6.679 1.00 0.69 O ATOM 0 H GLY A 68 -9.401 -5.533 -7.085 1.00 0.54 H new ATOM 0 HA2 GLY A 68 -11.124 -6.687 -8.142 1.00 0.53 H new ATOM 0 HA3 GLY A 68 -11.048 -7.965 -6.946 1.00 0.53 H new ATOM 1063 N LEU A 69 -12.580 -6.909 -5.269 1.00 0.47 N ATOM 1064 CA LEU A 69 -13.660 -6.422 -4.458 1.00 0.48 C ATOM 1065 C LEU A 69 -13.161 -6.065 -3.068 1.00 0.45 C ATOM 1066 O LEU A 69 -12.678 -4.959 -2.832 1.00 0.55 O ATOM 1067 CB LEU A 69 -14.709 -7.512 -4.366 1.00 0.49 C ATOM 1068 CG LEU A 69 -16.026 -7.239 -5.095 1.00 1.04 C ATOM 1069 CD1 LEU A 69 -17.018 -8.363 -4.845 1.00 1.59 C ATOM 1070 CD2 LEU A 69 -16.619 -5.903 -4.677 1.00 1.85 C ATOM 0 H LEU A 69 -12.198 -7.804 -4.963 1.00 0.47 H new ATOM 0 HA LEU A 69 -14.084 -5.523 -4.906 1.00 0.48 H new ATOM 0 HB2 LEU A 69 -14.282 -8.434 -4.761 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -14.929 -7.689 -3.313 1.00 0.49 H new ATOM 0 HG LEU A 69 -15.814 -7.193 -6.163 1.00 1.04 H new ATOM 0 HD11 LEU A 69 -17.948 -8.151 -5.372 1.00 1.59 H new ATOM 0 HD12 LEU A 69 -16.602 -9.303 -5.208 1.00 1.59 H new ATOM 0 HD13 LEU A 69 -17.216 -8.442 -3.776 1.00 1.59 H new ATOM 0 HD21 LEU A 69 -17.554 -5.737 -5.212 1.00 1.85 H new ATOM 0 HD22 LEU A 69 -16.811 -5.910 -3.604 1.00 1.85 H new ATOM 0 HD23 LEU A 69 -15.918 -5.103 -4.915 1.00 1.85 H new ATOM 1082 N GLU A 70 -13.274 -7.020 -2.154 1.00 0.36 N ATOM 1083 CA GLU A 70 -12.832 -6.825 -0.789 1.00 0.33 C ATOM 1084 C GLU A 70 -11.573 -7.632 -0.527 1.00 0.29 C ATOM 1085 O GLU A 70 -11.552 -8.849 -0.718 1.00 0.32 O ATOM 1086 CB GLU A 70 -13.931 -7.234 0.189 1.00 0.34 C ATOM 1087 CG GLU A 70 -14.763 -8.417 -0.284 1.00 0.88 C ATOM 1088 CD GLU A 70 -15.650 -8.983 0.808 1.00 0.89 C ATOM 1089 OE1 GLU A 70 -15.392 -8.689 1.994 1.00 1.13 O ATOM 1090 OE2 GLU A 70 -16.603 -9.720 0.478 1.00 1.31 O ATOM 0 H GLU A 70 -13.671 -7.941 -2.340 1.00 0.36 H new ATOM 0 HA GLU A 70 -12.610 -5.768 -0.642 1.00 0.33 H new ATOM 0 HB2 GLU A 70 -13.477 -7.481 1.149 1.00 0.34 H new ATOM 0 HB3 GLU A 70 -14.590 -6.382 0.358 1.00 0.34 H new ATOM 0 HG2 GLU A 70 -15.383 -8.107 -1.125 1.00 0.88 H new ATOM 0 HG3 GLU A 70 -14.099 -9.200 -0.649 1.00 0.88 H new ATOM 1097 N VAL A 71 -10.522 -6.950 -0.102 1.00 0.26 N ATOM 1098 CA VAL A 71 -9.256 -7.608 0.176 1.00 0.23 C ATOM 1099 C VAL A 71 -8.604 -7.067 1.436 1.00 0.22 C ATOM 1100 O VAL A 71 -8.977 -6.011 1.942 1.00 0.30 O ATOM 1101 CB VAL A 71 -8.262 -7.427 -0.984 1.00 0.27 C ATOM 1102 CG1 VAL A 71 -8.854 -7.936 -2.288 1.00 0.33 C ATOM 1103 CG2 VAL A 71 -7.853 -5.970 -1.110 1.00 0.41 C ATOM 0 H VAL A 71 -10.520 -5.943 0.058 1.00 0.26 H new ATOM 0 HA VAL A 71 -9.489 -8.665 0.308 1.00 0.23 H new ATOM 0 HB VAL A 71 -7.371 -8.016 -0.767 1.00 0.27 H new ATOM 0 HG11 VAL A 71 -8.133 -7.797 -3.094 1.00 0.33 H new ATOM 0 HG12 VAL A 71 -9.091 -8.996 -2.191 1.00 0.33 H new ATOM 0 HG13 VAL A 71 -9.764 -7.381 -2.516 1.00 0.33 H new ATOM 0 HG21 VAL A 71 -7.150 -5.860 -1.935 1.00 0.41 H new ATOM 0 HG22 VAL A 71 -8.736 -5.360 -1.301 1.00 0.41 H new ATOM 0 HG23 VAL A 71 -7.380 -5.644 -0.184 1.00 0.41 H new ATOM 1113 N ASN A 72 -7.598 -7.786 1.907 1.00 0.19 N ATOM 1114 CA ASN A 72 -6.842 -7.377 3.074 1.00 0.19 C ATOM 1115 C ASN A 72 -5.534 -6.767 2.603 1.00 0.17 C ATOM 1116 O ASN A 72 -4.639 -7.480 2.160 1.00 0.19 O ATOM 1117 CB ASN A 72 -6.575 -8.574 3.990 1.00 0.22 C ATOM 1118 CG ASN A 72 -7.795 -8.976 4.796 1.00 0.31 C ATOM 1119 OD1 ASN A 72 -7.723 -9.139 6.014 1.00 0.53 O ATOM 1120 ND2 ASN A 72 -8.925 -9.140 4.118 1.00 0.63 N ATOM 0 H ASN A 72 -7.286 -8.664 1.492 1.00 0.19 H new ATOM 0 HA ASN A 72 -7.411 -6.644 3.646 1.00 0.19 H new ATOM 0 HB2 ASN A 72 -6.247 -9.421 3.388 1.00 0.22 H new ATOM 0 HB3 ASN A 72 -5.759 -8.331 4.670 1.00 0.22 H new ATOM 0 HD21 ASN A 72 -9.778 -9.412 4.607 1.00 0.63 H new ATOM 0 HD22 ASN A 72 -8.940 -8.994 3.109 1.00 0.63 H new ATOM 1127 N ILE A 73 -5.433 -5.447 2.665 1.00 0.15 N ATOM 1128 CA ILE A 73 -4.235 -4.768 2.200 1.00 0.15 C ATOM 1129 C ILE A 73 -3.286 -4.464 3.346 1.00 0.16 C ATOM 1130 O ILE A 73 -3.469 -3.512 4.105 1.00 0.17 O ATOM 1131 CB ILE A 73 -4.584 -3.463 1.458 1.00 0.14 C ATOM 1132 CG1 ILE A 73 -5.030 -3.787 0.037 1.00 0.23 C ATOM 1133 CG2 ILE A 73 -3.406 -2.495 1.436 1.00 0.14 C ATOM 1134 CD1 ILE A 73 -3.992 -4.518 -0.784 1.00 1.11 C ATOM 0 H ILE A 73 -6.160 -4.831 3.029 1.00 0.15 H new ATOM 0 HA ILE A 73 -3.737 -5.446 1.507 1.00 0.15 H new ATOM 0 HB ILE A 73 -5.398 -2.974 1.994 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -5.935 -4.392 0.081 1.00 0.23 H new ATOM 0 HG13 ILE A 73 -5.292 -2.859 -0.471 1.00 0.23 H new ATOM 0 HG21 ILE A 73 -3.691 -1.587 0.904 1.00 0.14 H new ATOM 0 HG22 ILE A 73 -3.123 -2.243 2.458 1.00 0.14 H new ATOM 0 HG23 ILE A 73 -2.561 -2.962 0.930 1.00 0.14 H new ATOM 0 HD11 ILE A 73 -4.387 -4.711 -1.781 1.00 1.11 H new ATOM 0 HD12 ILE A 73 -3.093 -3.907 -0.862 1.00 1.11 H new ATOM 0 HD13 ILE A 73 -3.747 -5.464 -0.302 1.00 1.11 H new ATOM 1146 N VAL A 74 -2.255 -5.281 3.448 1.00 0.19 N ATOM 1147 CA VAL A 74 -1.254 -5.107 4.484 1.00 0.24 C ATOM 1148 C VAL A 74 -0.099 -4.261 3.958 1.00 0.20 C ATOM 1149 O VAL A 74 0.760 -4.743 3.214 1.00 0.22 O ATOM 1150 CB VAL A 74 -0.731 -6.463 5.004 1.00 0.33 C ATOM 1151 CG1 VAL A 74 -0.363 -7.383 3.850 1.00 1.25 C ATOM 1152 CG2 VAL A 74 0.451 -6.265 5.941 1.00 1.44 C ATOM 0 H VAL A 74 -2.088 -6.072 2.826 1.00 0.19 H new ATOM 0 HA VAL A 74 -1.725 -4.592 5.321 1.00 0.24 H new ATOM 0 HB VAL A 74 -1.532 -6.939 5.569 1.00 0.33 H new ATOM 0 HG11 VAL A 74 0.003 -8.332 4.243 1.00 1.25 H new ATOM 0 HG12 VAL A 74 -1.243 -7.561 3.232 1.00 1.25 H new ATOM 0 HG13 VAL A 74 0.415 -6.916 3.247 1.00 1.25 H new ATOM 0 HG21 VAL A 74 0.802 -7.235 6.294 1.00 1.44 H new ATOM 0 HG22 VAL A 74 1.257 -5.760 5.409 1.00 1.44 H new ATOM 0 HG23 VAL A 74 0.143 -5.659 6.793 1.00 1.44 H new ATOM 1162 N THR A 75 -0.103 -2.987 4.340 1.00 0.20 N ATOM 1163 CA THR A 75 0.925 -2.052 3.910 1.00 0.19 C ATOM 1164 C THR A 75 1.545 -1.336 5.091 1.00 0.22 C ATOM 1165 O THR A 75 0.832 -0.750 5.906 1.00 0.30 O ATOM 1166 CB THR A 75 0.348 -0.984 2.969 1.00 0.19 C ATOM 1167 OG1 THR A 75 -0.406 -1.608 1.929 1.00 0.24 O ATOM 1168 CG2 THR A 75 1.462 -0.136 2.373 1.00 0.35 C ATOM 0 H THR A 75 -0.812 -2.580 4.950 1.00 0.20 H new ATOM 0 HA THR A 75 1.680 -2.642 3.390 1.00 0.19 H new ATOM 0 HB THR A 75 -0.309 -0.332 3.544 1.00 0.19 H new ATOM 0 HG1 THR A 75 -0.967 -2.315 2.311 1.00 0.24 H new ATOM 0 HG21 THR A 75 1.033 0.615 1.709 1.00 0.35 H new ATOM 0 HG22 THR A 75 2.011 0.359 3.174 1.00 0.35 H new ATOM 0 HG23 THR A 75 2.142 -0.774 1.808 1.00 0.35 H new ATOM 1176 N ASP A 76 2.870 -1.344 5.173 1.00 0.19 N ATOM 1177 CA ASP A 76 3.527 -0.644 6.261 1.00 0.22 C ATOM 1178 C ASP A 76 3.805 0.787 5.841 1.00 0.22 C ATOM 1179 O ASP A 76 4.758 1.069 5.117 1.00 0.24 O ATOM 1180 CB ASP A 76 4.821 -1.348 6.669 1.00 0.26 C ATOM 1181 CG ASP A 76 4.953 -2.725 6.049 1.00 0.32 C ATOM 1182 OD1 ASP A 76 4.085 -3.582 6.315 1.00 0.46 O ATOM 1183 OD2 ASP A 76 5.924 -2.946 5.295 1.00 0.80 O ATOM 0 H ASP A 76 3.493 -1.815 4.517 1.00 0.19 H new ATOM 0 HA ASP A 76 2.868 -0.644 7.129 1.00 0.22 H new ATOM 0 HB2 ASP A 76 5.673 -0.736 6.372 1.00 0.26 H new ATOM 0 HB3 ASP A 76 4.856 -1.437 7.755 1.00 0.26 H new ATOM 1188 N SER A 77 2.950 1.682 6.308 1.00 0.27 N ATOM 1189 CA SER A 77 3.058 3.099 6.004 1.00 0.32 C ATOM 1190 C SER A 77 2.224 3.899 6.988 1.00 0.35 C ATOM 1191 O SER A 77 1.026 4.084 6.780 1.00 0.44 O ATOM 1192 CB SER A 77 2.594 3.369 4.571 1.00 0.40 C ATOM 1193 OG SER A 77 1.666 2.389 4.139 1.00 1.28 O ATOM 0 H SER A 77 2.161 1.446 6.909 1.00 0.27 H new ATOM 0 HA SER A 77 4.101 3.404 6.093 1.00 0.32 H new ATOM 0 HB2 SER A 77 2.137 4.357 4.514 1.00 0.40 H new ATOM 0 HB3 SER A 77 3.455 3.378 3.903 1.00 0.40 H new ATOM 0 HG SER A 77 1.385 2.587 3.221 1.00 1.28 H new ATOM 1199 N GLN A 78 2.845 4.361 8.064 1.00 0.31 N ATOM 1200 CA GLN A 78 2.132 5.129 9.077 1.00 0.34 C ATOM 1201 C GLN A 78 1.396 6.310 8.449 1.00 0.27 C ATOM 1202 O GLN A 78 0.473 6.867 9.046 1.00 0.26 O ATOM 1203 CB GLN A 78 3.099 5.607 10.158 1.00 0.47 C ATOM 1204 CG GLN A 78 3.612 4.478 11.040 1.00 1.04 C ATOM 1205 CD GLN A 78 5.103 4.244 10.879 1.00 1.57 C ATOM 1206 OE1 GLN A 78 5.881 4.470 11.806 1.00 1.97 O ATOM 1207 NE2 GLN A 78 5.508 3.789 9.700 1.00 1.88 N ATOM 0 H GLN A 78 3.836 4.219 8.258 1.00 0.31 H new ATOM 0 HA GLN A 78 1.389 4.479 9.540 1.00 0.34 H new ATOM 0 HB2 GLN A 78 3.946 6.105 9.686 1.00 0.47 H new ATOM 0 HB3 GLN A 78 2.600 6.349 10.781 1.00 0.47 H new ATOM 0 HG2 GLN A 78 3.395 4.709 12.083 1.00 1.04 H new ATOM 0 HG3 GLN A 78 3.076 3.560 10.798 1.00 1.04 H new ATOM 0 HE21 GLN A 78 4.828 3.615 8.959 1.00 1.88 H new ATOM 0 HE22 GLN A 78 6.499 3.613 9.534 1.00 1.88 H new ATOM 1216 N TYR A 79 1.783 6.666 7.227 1.00 0.27 N ATOM 1217 CA TYR A 79 1.134 7.754 6.513 1.00 0.28 C ATOM 1218 C TYR A 79 -0.119 7.223 5.853 1.00 0.23 C ATOM 1219 O TYR A 79 -1.197 7.756 6.060 1.00 0.23 O ATOM 1220 CB TYR A 79 2.058 8.382 5.465 1.00 0.37 C ATOM 1221 CG TYR A 79 2.309 9.861 5.691 1.00 0.59 C ATOM 1222 CD1 TYR A 79 1.252 10.752 5.840 1.00 0.86 C ATOM 1223 CD2 TYR A 79 3.603 10.366 5.756 1.00 0.85 C ATOM 1224 CE1 TYR A 79 1.477 12.101 6.046 1.00 1.07 C ATOM 1225 CE2 TYR A 79 3.836 11.713 5.962 1.00 1.07 C ATOM 1226 CZ TYR A 79 2.768 12.576 6.107 1.00 1.08 C ATOM 1227 OH TYR A 79 2.998 13.918 6.312 1.00 1.33 O ATOM 0 H TYR A 79 2.541 6.216 6.714 1.00 0.27 H new ATOM 0 HA TYR A 79 0.883 8.537 7.228 1.00 0.28 H new ATOM 0 HB2 TYR A 79 3.012 7.854 5.470 1.00 0.37 H new ATOM 0 HB3 TYR A 79 1.621 8.242 4.476 1.00 0.37 H new ATOM 0 HD1 TYR A 79 0.238 10.384 5.794 1.00 0.86 H new ATOM 0 HD2 TYR A 79 4.441 9.694 5.644 1.00 0.85 H new ATOM 0 HE1 TYR A 79 0.644 12.779 6.159 1.00 1.07 H new ATOM 0 HE2 TYR A 79 4.848 12.088 6.009 1.00 1.07 H new ATOM 0 HH TYR A 79 3.963 14.085 6.330 1.00 1.33 H new ATOM 1237 N ALA A 80 0.023 6.135 5.098 1.00 0.22 N ATOM 1238 CA ALA A 80 -1.124 5.516 4.460 1.00 0.27 C ATOM 1239 C ALA A 80 -2.142 5.175 5.530 1.00 0.24 C ATOM 1240 O ALA A 80 -3.348 5.179 5.297 1.00 0.34 O ATOM 1241 CB ALA A 80 -0.705 4.266 3.704 1.00 0.34 C ATOM 0 H ALA A 80 0.914 5.672 4.918 1.00 0.22 H new ATOM 0 HA ALA A 80 -1.563 6.206 3.739 1.00 0.27 H new ATOM 0 HB1 ALA A 80 -1.579 3.816 3.232 1.00 0.34 H new ATOM 0 HB2 ALA A 80 0.024 4.531 2.939 1.00 0.34 H new ATOM 0 HB3 ALA A 80 -0.260 3.553 4.398 1.00 0.34 H new ATOM 1247 N LEU A 81 -1.626 4.906 6.721 1.00 0.17 N ATOM 1248 CA LEU A 81 -2.457 4.586 7.860 1.00 0.21 C ATOM 1249 C LEU A 81 -3.350 5.774 8.196 1.00 0.18 C ATOM 1250 O LEU A 81 -4.539 5.618 8.464 1.00 0.24 O ATOM 1251 CB LEU A 81 -1.580 4.215 9.062 1.00 0.26 C ATOM 1252 CG LEU A 81 -2.314 3.631 10.275 1.00 0.85 C ATOM 1253 CD1 LEU A 81 -2.766 4.743 11.209 1.00 1.60 C ATOM 1254 CD2 LEU A 81 -3.500 2.779 9.838 1.00 1.83 C ATOM 0 H LEU A 81 -0.625 4.905 6.919 1.00 0.17 H new ATOM 0 HA LEU A 81 -3.088 3.731 7.616 1.00 0.21 H new ATOM 0 HB2 LEU A 81 -0.833 3.493 8.732 1.00 0.26 H new ATOM 0 HB3 LEU A 81 -1.042 5.107 9.383 1.00 0.26 H new ATOM 0 HG LEU A 81 -1.620 2.987 10.815 1.00 0.85 H new ATOM 0 HD11 LEU A 81 -3.285 4.311 12.065 1.00 1.60 H new ATOM 0 HD12 LEU A 81 -1.897 5.302 11.556 1.00 1.60 H new ATOM 0 HD13 LEU A 81 -3.440 5.414 10.676 1.00 1.60 H new ATOM 0 HD21 LEU A 81 -4.003 2.377 10.718 1.00 1.83 H new ATOM 0 HD22 LEU A 81 -4.199 3.392 9.269 1.00 1.83 H new ATOM 0 HD23 LEU A 81 -3.148 1.957 9.214 1.00 1.83 H new ATOM 1266 N GLY A 82 -2.758 6.963 8.176 1.00 0.13 N ATOM 1267 CA GLY A 82 -3.500 8.174 8.472 1.00 0.16 C ATOM 1268 C GLY A 82 -4.267 8.723 7.276 1.00 0.17 C ATOM 1269 O GLY A 82 -5.370 9.250 7.433 1.00 0.20 O ATOM 0 H GLY A 82 -1.772 7.110 7.959 1.00 0.13 H new ATOM 0 HA2 GLY A 82 -4.201 7.973 9.282 1.00 0.16 H new ATOM 0 HA3 GLY A 82 -2.808 8.936 8.831 1.00 0.16 H new ATOM 1273 N ILE A 83 -3.671 8.636 6.086 1.00 0.17 N ATOM 1274 CA ILE A 83 -4.290 9.163 4.876 1.00 0.19 C ATOM 1275 C ILE A 83 -5.189 8.140 4.176 1.00 0.20 C ATOM 1276 O ILE A 83 -6.388 8.365 4.039 1.00 0.22 O ATOM 1277 CB ILE A 83 -3.207 9.629 3.874 1.00 0.24 C ATOM 1278 CG1 ILE A 83 -1.968 10.179 4.597 1.00 0.33 C ATOM 1279 CG2 ILE A 83 -3.771 10.675 2.929 1.00 0.44 C ATOM 1280 CD1 ILE A 83 -2.275 11.266 5.608 1.00 1.30 C ATOM 0 H ILE A 83 -2.759 8.204 5.938 1.00 0.17 H new ATOM 0 HA ILE A 83 -4.909 10.002 5.192 1.00 0.19 H new ATOM 0 HB ILE A 83 -2.898 8.759 3.295 1.00 0.24 H new ATOM 0 HG12 ILE A 83 -1.462 9.358 5.104 1.00 0.33 H new ATOM 0 HG13 ILE A 83 -1.273 10.573 3.856 1.00 0.33 H new ATOM 0 HG21 ILE A 83 -2.995 10.991 2.231 1.00 0.44 H new ATOM 0 HG22 ILE A 83 -4.607 10.250 2.374 1.00 0.44 H new ATOM 0 HG23 ILE A 83 -4.116 11.535 3.503 1.00 0.44 H new ATOM 0 HD11 ILE A 83 -1.349 11.601 6.075 1.00 1.30 H new ATOM 0 HD12 ILE A 83 -2.753 12.107 5.105 1.00 1.30 H new ATOM 0 HD13 ILE A 83 -2.945 10.873 6.373 1.00 1.30 H new ATOM 1292 N ILE A 84 -4.602 7.028 3.729 1.00 0.19 N ATOM 1293 CA ILE A 84 -5.347 5.980 3.024 1.00 0.21 C ATOM 1294 C ILE A 84 -6.553 5.485 3.825 1.00 0.26 C ATOM 1295 O ILE A 84 -7.548 5.050 3.247 1.00 0.35 O ATOM 1296 CB ILE A 84 -4.425 4.794 2.637 1.00 0.23 C ATOM 1297 CG1 ILE A 84 -4.406 4.618 1.110 1.00 0.26 C ATOM 1298 CG2 ILE A 84 -4.847 3.503 3.335 1.00 0.40 C ATOM 1299 CD1 ILE A 84 -5.612 3.890 0.553 1.00 0.58 C ATOM 0 H ILE A 84 -3.608 6.828 3.843 1.00 0.19 H new ATOM 0 HA ILE A 84 -5.728 6.433 2.109 1.00 0.21 H new ATOM 0 HB ILE A 84 -3.414 5.024 2.975 1.00 0.23 H new ATOM 0 HG12 ILE A 84 -4.342 5.601 0.643 1.00 0.26 H new ATOM 0 HG13 ILE A 84 -3.505 4.072 0.830 1.00 0.26 H new ATOM 0 HG21 ILE A 84 -4.178 2.694 3.040 1.00 0.40 H new ATOM 0 HG22 ILE A 84 -4.796 3.640 4.415 1.00 0.40 H new ATOM 0 HG23 ILE A 84 -5.868 3.252 3.049 1.00 0.40 H new ATOM 0 HD11 ILE A 84 -5.520 3.808 -0.530 1.00 0.58 H new ATOM 0 HD12 ILE A 84 -5.668 2.892 0.989 1.00 0.58 H new ATOM 0 HD13 ILE A 84 -6.517 4.445 0.799 1.00 0.58 H new ATOM 1311 N GLN A 85 -6.468 5.559 5.147 1.00 0.27 N ATOM 1312 CA GLN A 85 -7.568 5.120 5.999 1.00 0.31 C ATOM 1313 C GLN A 85 -8.637 6.202 6.093 1.00 0.32 C ATOM 1314 O GLN A 85 -9.802 5.916 6.370 1.00 0.40 O ATOM 1315 CB GLN A 85 -7.056 4.776 7.399 1.00 0.33 C ATOM 1316 CG GLN A 85 -8.134 4.249 8.332 1.00 0.49 C ATOM 1317 CD GLN A 85 -7.630 4.019 9.744 1.00 0.60 C ATOM 1318 OE1 GLN A 85 -6.676 4.658 10.186 1.00 1.11 O ATOM 1319 NE2 GLN A 85 -8.270 3.100 10.459 1.00 0.86 N ATOM 0 H GLN A 85 -5.656 5.916 5.651 1.00 0.27 H new ATOM 0 HA GLN A 85 -8.007 4.228 5.553 1.00 0.31 H new ATOM 0 HB2 GLN A 85 -6.265 4.030 7.314 1.00 0.33 H new ATOM 0 HB3 GLN A 85 -6.609 5.666 7.841 1.00 0.33 H new ATOM 0 HG2 GLN A 85 -8.963 4.956 8.358 1.00 0.49 H new ATOM 0 HG3 GLN A 85 -8.526 3.313 7.934 1.00 0.49 H new ATOM 0 HE21 GLN A 85 -9.057 2.594 10.052 1.00 0.86 H new ATOM 0 HE22 GLN A 85 -7.975 2.901 11.415 1.00 0.86 H new ATOM 1328 N ALA A 86 -8.228 7.444 5.867 1.00 0.30 N ATOM 1329 CA ALA A 86 -9.145 8.576 5.936 1.00 0.33 C ATOM 1330 C ALA A 86 -9.612 9.014 4.556 1.00 0.33 C ATOM 1331 O ALA A 86 -9.373 10.155 4.159 1.00 0.52 O ATOM 1332 CB ALA A 86 -8.491 9.736 6.673 1.00 0.38 C ATOM 0 H ALA A 86 -7.267 7.694 5.634 1.00 0.30 H new ATOM 0 HA ALA A 86 -10.028 8.254 6.488 1.00 0.33 H new ATOM 0 HB1 ALA A 86 -9.185 10.576 6.718 1.00 0.38 H new ATOM 0 HB2 ALA A 86 -8.232 9.424 7.685 1.00 0.38 H new ATOM 0 HB3 ALA A 86 -7.588 10.040 6.144 1.00 0.38 H new ATOM 1338 N GLN A 87 -10.297 8.103 3.843 1.00 0.31 N ATOM 1339 CA GLN A 87 -10.823 8.392 2.504 1.00 0.31 C ATOM 1340 C GLN A 87 -10.008 9.502 1.857 1.00 0.31 C ATOM 1341 O GLN A 87 -10.500 10.616 1.675 1.00 0.35 O ATOM 1342 CB GLN A 87 -12.299 8.806 2.572 1.00 0.37 C ATOM 1343 CG GLN A 87 -13.191 7.854 3.368 1.00 0.71 C ATOM 1344 CD GLN A 87 -12.853 7.763 4.853 1.00 0.99 C ATOM 1345 OE1 GLN A 87 -13.158 6.760 5.499 1.00 1.63 O ATOM 1346 NE2 GLN A 87 -12.225 8.796 5.409 1.00 1.08 N ATOM 0 H GLN A 87 -10.498 7.160 4.175 1.00 0.31 H new ATOM 0 HA GLN A 87 -10.746 7.486 1.903 1.00 0.31 H new ATOM 0 HB2 GLN A 87 -12.364 9.800 3.015 1.00 0.37 H new ATOM 0 HB3 GLN A 87 -12.688 8.884 1.557 1.00 0.37 H new ATOM 0 HG2 GLN A 87 -14.227 8.175 3.263 1.00 0.71 H new ATOM 0 HG3 GLN A 87 -13.120 6.858 2.930 1.00 0.71 H new ATOM 0 HE21 GLN A 87 -11.987 9.612 4.845 1.00 1.08 H new ATOM 0 HE22 GLN A 87 -11.982 8.772 6.399 1.00 1.08 H new ATOM 1355 N PRO A 88 -8.732 9.234 1.537 1.00 0.29 N ATOM 1356 CA PRO A 88 -7.853 10.236 0.956 1.00 0.31 C ATOM 1357 C PRO A 88 -8.052 10.402 -0.542 1.00 0.42 C ATOM 1358 O PRO A 88 -7.121 10.755 -1.261 1.00 0.99 O ATOM 1359 CB PRO A 88 -6.475 9.679 1.246 1.00 0.37 C ATOM 1360 CG PRO A 88 -6.668 8.216 1.135 1.00 0.31 C ATOM 1361 CD PRO A 88 -8.028 7.950 1.738 1.00 0.27 C ATOM 0 HA PRO A 88 -8.036 11.228 1.369 1.00 0.31 H new ATOM 0 HB2 PRO A 88 -5.736 10.042 0.532 1.00 0.37 H new ATOM 0 HB3 PRO A 88 -6.127 9.964 2.239 1.00 0.37 H new ATOM 0 HG2 PRO A 88 -6.628 7.891 0.095 1.00 0.31 H new ATOM 0 HG3 PRO A 88 -5.887 7.674 1.669 1.00 0.31 H new ATOM 0 HD2 PRO A 88 -8.538 7.126 1.238 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -7.958 7.688 2.794 1.00 0.27 H new ATOM 1369 N ASP A 89 -9.269 10.150 -1.012 1.00 0.52 N ATOM 1370 CA ASP A 89 -9.575 10.281 -2.433 1.00 0.49 C ATOM 1371 C ASP A 89 -9.295 11.702 -2.905 1.00 0.46 C ATOM 1372 O ASP A 89 -9.332 11.993 -4.101 1.00 0.46 O ATOM 1373 CB ASP A 89 -11.040 9.927 -2.715 1.00 0.51 C ATOM 1374 CG ASP A 89 -11.906 9.942 -1.469 1.00 1.49 C ATOM 1375 OD1 ASP A 89 -11.722 9.062 -0.602 1.00 2.17 O ATOM 1376 OD2 ASP A 89 -12.776 10.833 -1.363 1.00 1.87 O ATOM 0 H ASP A 89 -10.056 9.855 -0.434 1.00 0.52 H new ATOM 0 HA ASP A 89 -8.937 9.586 -2.978 1.00 0.49 H new ATOM 0 HB2 ASP A 89 -11.445 10.633 -3.440 1.00 0.51 H new ATOM 0 HB3 ASP A 89 -11.087 8.938 -3.171 1.00 0.51 H new ATOM 1381 N GLN A 90 -9.024 12.582 -1.947 1.00 0.47 N ATOM 1382 CA GLN A 90 -8.746 13.978 -2.238 1.00 0.48 C ATOM 1383 C GLN A 90 -8.147 14.669 -1.016 1.00 0.47 C ATOM 1384 O GLN A 90 -8.194 15.894 -0.896 1.00 0.54 O ATOM 1385 CB GLN A 90 -10.038 14.681 -2.663 1.00 0.51 C ATOM 1386 CG GLN A 90 -11.297 14.065 -2.064 1.00 0.68 C ATOM 1387 CD GLN A 90 -11.191 13.846 -0.564 1.00 0.76 C ATOM 1388 OE1 GLN A 90 -11.197 14.800 0.214 1.00 1.67 O ATOM 1389 NE2 GLN A 90 -11.090 12.584 -0.146 1.00 0.58 N ATOM 0 H GLN A 90 -8.992 12.347 -0.955 1.00 0.47 H new ATOM 0 HA GLN A 90 -8.023 14.033 -3.052 1.00 0.48 H new ATOM 0 HB2 GLN A 90 -9.983 15.730 -2.371 1.00 0.51 H new ATOM 0 HB3 GLN A 90 -10.114 14.656 -3.750 1.00 0.51 H new ATOM 0 HG2 GLN A 90 -12.148 14.714 -2.272 1.00 0.68 H new ATOM 0 HG3 GLN A 90 -11.497 13.111 -2.552 1.00 0.68 H new ATOM 0 HE21 GLN A 90 -11.089 11.821 -0.823 1.00 0.58 H new ATOM 0 HE22 GLN A 90 -11.014 12.381 0.851 1.00 0.58 H new ATOM 1398 N SER A 91 -7.594 13.871 -0.102 1.00 0.41 N ATOM 1399 CA SER A 91 -7.001 14.403 1.122 1.00 0.42 C ATOM 1400 C SER A 91 -5.491 14.161 1.188 1.00 0.37 C ATOM 1401 O SER A 91 -4.989 13.140 0.715 1.00 0.33 O ATOM 1402 CB SER A 91 -7.673 13.779 2.344 1.00 0.45 C ATOM 1403 OG SER A 91 -9.058 13.576 2.118 1.00 1.34 O ATOM 0 H SER A 91 -7.545 12.856 -0.187 1.00 0.41 H new ATOM 0 HA SER A 91 -7.164 15.481 1.116 1.00 0.42 H new ATOM 0 HB2 SER A 91 -7.196 12.827 2.578 1.00 0.45 H new ATOM 0 HB3 SER A 91 -7.534 14.427 3.210 1.00 0.45 H new ATOM 0 HG SER A 91 -9.464 13.174 2.914 1.00 1.34 H new ATOM 1409 N GLU A 92 -4.791 15.109 1.809 1.00 0.43 N ATOM 1410 CA GLU A 92 -3.341 15.042 1.996 1.00 0.41 C ATOM 1411 C GLU A 92 -2.596 14.531 0.754 1.00 0.37 C ATOM 1412 O GLU A 92 -2.654 15.148 -0.310 1.00 0.41 O ATOM 1413 CB GLU A 92 -3.009 14.176 3.217 1.00 0.38 C ATOM 1414 CG GLU A 92 -1.577 14.330 3.710 1.00 0.43 C ATOM 1415 CD GLU A 92 -1.491 15.041 5.047 1.00 0.98 C ATOM 1416 OE1 GLU A 92 -2.463 15.733 5.414 1.00 1.38 O ATOM 1417 OE2 GLU A 92 -0.451 14.906 5.727 1.00 1.49 O ATOM 0 H GLU A 92 -5.216 15.950 2.199 1.00 0.43 H new ATOM 0 HA GLU A 92 -2.995 16.062 2.164 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -3.692 14.431 4.028 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -3.187 13.130 2.968 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -1.119 13.345 3.797 1.00 0.43 H new ATOM 0 HG3 GLU A 92 -1.000 14.885 2.970 1.00 0.43 H new ATOM 1424 N SER A 93 -1.874 13.419 0.915 1.00 0.31 N ATOM 1425 CA SER A 93 -1.085 12.829 -0.161 1.00 0.29 C ATOM 1426 C SER A 93 -1.868 12.718 -1.468 1.00 0.26 C ATOM 1427 O SER A 93 -3.086 12.541 -1.469 1.00 0.26 O ATOM 1428 CB SER A 93 -0.582 11.448 0.270 1.00 0.28 C ATOM 1429 OG SER A 93 0.833 11.423 0.349 1.00 1.05 O ATOM 0 H SER A 93 -1.822 12.906 1.795 1.00 0.31 H new ATOM 0 HA SER A 93 -0.241 13.492 -0.351 1.00 0.29 H new ATOM 0 HB2 SER A 93 -1.008 11.188 1.239 1.00 0.28 H new ATOM 0 HB3 SER A 93 -0.923 10.695 -0.440 1.00 0.28 H new ATOM 0 HG SER A 93 1.156 10.519 0.150 1.00 1.05 H new ATOM 1435 N GLU A 94 -1.144 12.814 -2.582 1.00 0.27 N ATOM 1436 CA GLU A 94 -1.742 12.712 -3.911 1.00 0.25 C ATOM 1437 C GLU A 94 -1.888 11.246 -4.307 1.00 0.22 C ATOM 1438 O GLU A 94 -2.862 10.847 -4.949 1.00 0.21 O ATOM 1439 CB GLU A 94 -0.879 13.442 -4.948 1.00 0.29 C ATOM 1440 CG GLU A 94 0.118 14.422 -4.346 1.00 1.17 C ATOM 1441 CD GLU A 94 -0.437 15.831 -4.237 1.00 2.09 C ATOM 1442 OE1 GLU A 94 -1.604 16.040 -4.631 1.00 3.06 O ATOM 1443 OE2 GLU A 94 0.293 16.723 -3.757 1.00 2.12 O ATOM 0 H GLU A 94 -0.135 12.963 -2.589 1.00 0.27 H new ATOM 0 HA GLU A 94 -2.727 13.179 -3.882 1.00 0.25 H new ATOM 0 HB2 GLU A 94 -0.336 12.704 -5.538 1.00 0.29 H new ATOM 0 HB3 GLU A 94 -1.532 13.980 -5.635 1.00 0.29 H new ATOM 0 HG2 GLU A 94 0.410 14.074 -3.355 1.00 1.17 H new ATOM 0 HG3 GLU A 94 1.020 14.438 -4.958 1.00 1.17 H new ATOM 1450 N LEU A 95 -0.901 10.450 -3.912 1.00 0.26 N ATOM 1451 CA LEU A 95 -0.889 9.024 -4.207 1.00 0.28 C ATOM 1452 C LEU A 95 -2.168 8.357 -3.732 1.00 0.25 C ATOM 1453 O LEU A 95 -2.858 7.687 -4.501 1.00 0.28 O ATOM 1454 CB LEU A 95 0.298 8.366 -3.511 1.00 0.34 C ATOM 1455 CG LEU A 95 0.927 7.182 -4.254 1.00 0.76 C ATOM 1456 CD1 LEU A 95 1.216 7.539 -5.707 1.00 1.74 C ATOM 1457 CD2 LEU A 95 2.201 6.745 -3.554 1.00 1.01 C ATOM 0 H LEU A 95 -0.092 10.773 -3.382 1.00 0.26 H new ATOM 0 HA LEU A 95 -0.809 8.903 -5.287 1.00 0.28 H new ATOM 0 HB2 LEU A 95 1.067 9.122 -3.351 1.00 0.34 H new ATOM 0 HB3 LEU A 95 -0.024 8.025 -2.527 1.00 0.34 H new ATOM 0 HG LEU A 95 0.216 6.356 -4.245 1.00 0.76 H new ATOM 0 HD11 LEU A 95 1.662 6.681 -6.211 1.00 1.74 H new ATOM 0 HD12 LEU A 95 0.286 7.810 -6.207 1.00 1.74 H new ATOM 0 HD13 LEU A 95 1.907 8.381 -5.744 1.00 1.74 H new ATOM 0 HD21 LEU A 95 2.640 5.903 -4.090 1.00 1.01 H new ATOM 0 HD22 LEU A 95 2.909 7.573 -3.537 1.00 1.01 H new ATOM 0 HD23 LEU A 95 1.970 6.444 -2.532 1.00 1.01 H new ATOM 1469 N VAL A 96 -2.466 8.541 -2.454 1.00 0.23 N ATOM 1470 CA VAL A 96 -3.649 7.955 -1.848 1.00 0.23 C ATOM 1471 C VAL A 96 -4.901 8.285 -2.652 1.00 0.25 C ATOM 1472 O VAL A 96 -5.863 7.519 -2.655 1.00 0.30 O ATOM 1473 CB VAL A 96 -3.841 8.461 -0.410 1.00 0.23 C ATOM 1474 CG1 VAL A 96 -3.017 7.647 0.574 1.00 0.33 C ATOM 1475 CG2 VAL A 96 -3.492 9.934 -0.314 1.00 0.31 C ATOM 0 H VAL A 96 -1.899 9.096 -1.814 1.00 0.23 H new ATOM 0 HA VAL A 96 -3.499 6.875 -1.838 1.00 0.23 H new ATOM 0 HB VAL A 96 -4.891 8.337 -0.146 1.00 0.23 H new ATOM 0 HG11 VAL A 96 -3.174 8.029 1.583 1.00 0.33 H new ATOM 0 HG12 VAL A 96 -3.325 6.602 0.529 1.00 0.33 H new ATOM 0 HG13 VAL A 96 -1.961 7.725 0.316 1.00 0.33 H new ATOM 0 HG21 VAL A 96 -3.634 10.275 0.711 1.00 0.31 H new ATOM 0 HG22 VAL A 96 -2.452 10.081 -0.605 1.00 0.31 H new ATOM 0 HG23 VAL A 96 -4.139 10.505 -0.979 1.00 0.31 H new ATOM 1485 N ASN A 97 -4.880 9.422 -3.342 1.00 0.23 N ATOM 1486 CA ASN A 97 -6.017 9.831 -4.154 1.00 0.25 C ATOM 1487 C ASN A 97 -6.260 8.814 -5.261 1.00 0.25 C ATOM 1488 O ASN A 97 -7.389 8.382 -5.495 1.00 0.30 O ATOM 1489 CB ASN A 97 -5.776 11.209 -4.782 1.00 0.27 C ATOM 1490 CG ASN A 97 -6.017 12.360 -3.825 1.00 0.46 C ATOM 1491 OD1 ASN A 97 -6.588 13.382 -4.205 1.00 0.85 O ATOM 1492 ND2 ASN A 97 -5.576 12.209 -2.582 1.00 0.44 N ATOM 0 H ASN A 97 -4.093 10.071 -3.354 1.00 0.23 H new ATOM 0 HA ASN A 97 -6.891 9.887 -3.505 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -4.750 11.259 -5.147 1.00 0.27 H new ATOM 0 HB3 ASN A 97 -6.428 11.324 -5.648 1.00 0.27 H new ATOM 0 HD21 ASN A 97 -5.706 12.957 -1.901 1.00 0.44 H new ATOM 0 HD22 ASN A 97 -5.108 11.345 -2.308 1.00 0.44 H new ATOM 1499 N GLN A 98 -5.180 8.445 -5.942 1.00 0.25 N ATOM 1500 CA GLN A 98 -5.243 7.485 -7.039 1.00 0.27 C ATOM 1501 C GLN A 98 -5.777 6.128 -6.578 1.00 0.28 C ATOM 1502 O GLN A 98 -6.659 5.547 -7.215 1.00 0.32 O ATOM 1503 CB GLN A 98 -3.853 7.308 -7.654 1.00 0.31 C ATOM 1504 CG GLN A 98 -3.861 6.539 -8.961 1.00 0.62 C ATOM 1505 CD GLN A 98 -2.599 6.750 -9.777 1.00 1.03 C ATOM 1506 OE1 GLN A 98 -1.852 7.703 -9.551 1.00 1.85 O ATOM 1507 NE2 GLN A 98 -2.356 5.860 -10.732 1.00 1.52 N ATOM 0 H GLN A 98 -4.243 8.800 -5.751 1.00 0.25 H new ATOM 0 HA GLN A 98 -5.933 7.880 -7.785 1.00 0.27 H new ATOM 0 HB2 GLN A 98 -3.412 8.290 -7.823 1.00 0.31 H new ATOM 0 HB3 GLN A 98 -3.213 6.789 -6.941 1.00 0.31 H new ATOM 0 HG2 GLN A 98 -3.978 5.476 -8.751 1.00 0.62 H new ATOM 0 HG3 GLN A 98 -4.725 6.844 -9.551 1.00 0.62 H new ATOM 0 HE21 GLN A 98 -3.002 5.086 -10.884 1.00 1.52 H new ATOM 0 HE22 GLN A 98 -1.523 5.950 -11.313 1.00 1.52 H new ATOM 1516 N ILE A 99 -5.228 5.621 -5.479 1.00 0.28 N ATOM 1517 CA ILE A 99 -5.634 4.324 -4.946 1.00 0.32 C ATOM 1518 C ILE A 99 -7.110 4.297 -4.580 1.00 0.32 C ATOM 1519 O ILE A 99 -7.846 3.414 -5.020 1.00 0.43 O ATOM 1520 CB ILE A 99 -4.807 3.944 -3.705 1.00 0.36 C ATOM 1521 CG1 ILE A 99 -3.348 3.725 -4.094 1.00 0.35 C ATOM 1522 CG2 ILE A 99 -5.376 2.698 -3.040 1.00 0.48 C ATOM 1523 CD1 ILE A 99 -2.427 4.816 -3.605 1.00 0.43 C ATOM 0 H ILE A 99 -4.500 6.089 -4.939 1.00 0.28 H new ATOM 0 HA ILE A 99 -5.454 3.598 -5.739 1.00 0.32 H new ATOM 0 HB ILE A 99 -4.859 4.764 -2.989 1.00 0.36 H new ATOM 0 HG12 ILE A 99 -3.012 2.769 -3.692 1.00 0.35 H new ATOM 0 HG13 ILE A 99 -3.275 3.658 -5.179 1.00 0.35 H new ATOM 0 HG21 ILE A 99 -4.777 2.447 -2.165 1.00 0.48 H new ATOM 0 HG22 ILE A 99 -6.405 2.887 -2.733 1.00 0.48 H new ATOM 0 HG23 ILE A 99 -5.355 1.867 -3.745 1.00 0.48 H new ATOM 0 HD11 ILE A 99 -1.406 4.597 -3.917 1.00 0.43 H new ATOM 0 HD12 ILE A 99 -2.738 5.771 -4.027 1.00 0.43 H new ATOM 0 HD13 ILE A 99 -2.471 4.869 -2.517 1.00 0.43 H new ATOM 1535 N ILE A 100 -7.532 5.253 -3.763 1.00 0.28 N ATOM 1536 CA ILE A 100 -8.920 5.323 -3.329 1.00 0.30 C ATOM 1537 C ILE A 100 -9.871 5.265 -4.508 1.00 0.28 C ATOM 1538 O ILE A 100 -10.834 4.503 -4.494 1.00 0.29 O ATOM 1539 CB ILE A 100 -9.204 6.598 -2.529 1.00 0.33 C ATOM 1540 CG1 ILE A 100 -8.402 6.594 -1.228 1.00 0.35 C ATOM 1541 CG2 ILE A 100 -10.693 6.707 -2.253 1.00 0.37 C ATOM 1542 CD1 ILE A 100 -8.631 5.363 -0.373 1.00 0.32 C ATOM 0 H ILE A 100 -6.934 5.989 -3.388 1.00 0.28 H new ATOM 0 HA ILE A 100 -9.083 4.458 -2.687 1.00 0.30 H new ATOM 0 HB ILE A 100 -8.896 7.467 -3.111 1.00 0.33 H new ATOM 0 HG12 ILE A 100 -7.341 6.668 -1.466 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -8.661 7.481 -0.649 1.00 0.35 H new ATOM 0 HG21 ILE A 100 -10.892 7.615 -1.684 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -11.236 6.744 -3.197 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -11.021 5.840 -1.680 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -8.029 5.432 0.533 1.00 0.32 H new ATOM 0 HD12 ILE A 100 -9.685 5.298 -0.104 1.00 0.32 H new ATOM 0 HD13 ILE A 100 -8.344 4.473 -0.933 1.00 0.32 H new ATOM 1554 N GLU A 101 -9.595 6.070 -5.524 1.00 0.28 N ATOM 1555 CA GLU A 101 -10.430 6.090 -6.715 1.00 0.27 C ATOM 1556 C GLU A 101 -10.685 4.659 -7.175 1.00 0.25 C ATOM 1557 O GLU A 101 -11.810 4.291 -7.530 1.00 0.23 O ATOM 1558 CB GLU A 101 -9.761 6.907 -7.821 1.00 0.31 C ATOM 1559 CG GLU A 101 -9.917 8.410 -7.637 1.00 0.42 C ATOM 1560 CD GLU A 101 -10.444 9.098 -8.881 1.00 0.54 C ATOM 1561 OE1 GLU A 101 -11.672 9.056 -9.107 1.00 0.93 O ATOM 1562 OE2 GLU A 101 -9.629 9.679 -9.628 1.00 1.09 O ATOM 0 H GLU A 101 -8.804 6.714 -5.547 1.00 0.28 H new ATOM 0 HA GLU A 101 -11.384 6.563 -6.482 1.00 0.27 H new ATOM 0 HB2 GLU A 101 -8.700 6.660 -7.854 1.00 0.31 H new ATOM 0 HB3 GLU A 101 -10.185 6.620 -8.783 1.00 0.31 H new ATOM 0 HG2 GLU A 101 -10.595 8.602 -6.805 1.00 0.42 H new ATOM 0 HG3 GLU A 101 -8.953 8.841 -7.369 1.00 0.42 H new ATOM 1569 N GLN A 102 -9.636 3.844 -7.121 1.00 0.27 N ATOM 1570 CA GLN A 102 -9.746 2.442 -7.491 1.00 0.28 C ATOM 1571 C GLN A 102 -10.512 1.686 -6.413 1.00 0.26 C ATOM 1572 O GLN A 102 -11.250 0.743 -6.700 1.00 0.28 O ATOM 1573 CB GLN A 102 -8.360 1.823 -7.688 1.00 0.35 C ATOM 1574 CG GLN A 102 -7.604 2.384 -8.881 1.00 0.56 C ATOM 1575 CD GLN A 102 -8.369 2.234 -10.181 1.00 0.85 C ATOM 1576 OE1 GLN A 102 -8.525 1.129 -10.699 1.00 1.85 O ATOM 1577 NE2 GLN A 102 -8.851 3.352 -10.713 1.00 0.67 N ATOM 0 H GLN A 102 -8.703 4.132 -6.825 1.00 0.27 H new ATOM 0 HA GLN A 102 -10.287 2.370 -8.434 1.00 0.28 H new ATOM 0 HB2 GLN A 102 -7.769 1.983 -6.786 1.00 0.35 H new ATOM 0 HB3 GLN A 102 -8.467 0.745 -7.811 1.00 0.35 H new ATOM 0 HG2 GLN A 102 -7.392 3.439 -8.708 1.00 0.56 H new ATOM 0 HG3 GLN A 102 -6.643 1.876 -8.969 1.00 0.56 H new ATOM 0 HE21 GLN A 102 -8.697 4.246 -10.247 1.00 0.67 H new ATOM 0 HE22 GLN A 102 -9.375 3.316 -11.587 1.00 0.67 H new ATOM 1586 N LEU A 103 -10.342 2.123 -5.170 1.00 0.26 N ATOM 1587 CA LEU A 103 -11.029 1.512 -4.041 1.00 0.25 C ATOM 1588 C LEU A 103 -12.529 1.754 -4.156 1.00 0.26 C ATOM 1589 O LEU A 103 -13.336 0.997 -3.617 1.00 0.37 O ATOM 1590 CB LEU A 103 -10.501 2.081 -2.721 1.00 0.29 C ATOM 1591 CG LEU A 103 -11.056 1.419 -1.458 1.00 0.41 C ATOM 1592 CD1 LEU A 103 -10.697 -0.058 -1.423 1.00 1.37 C ATOM 1593 CD2 LEU A 103 -10.529 2.122 -0.216 1.00 1.02 C ATOM 0 H LEU A 103 -9.732 2.901 -4.920 1.00 0.26 H new ATOM 0 HA LEU A 103 -10.839 0.439 -4.054 1.00 0.25 H new ATOM 0 HB2 LEU A 103 -9.415 1.989 -2.713 1.00 0.29 H new ATOM 0 HB3 LEU A 103 -10.731 3.146 -2.685 1.00 0.29 H new ATOM 0 HG LEU A 103 -12.142 1.507 -1.474 1.00 0.41 H new ATOM 0 HD11 LEU A 103 -11.101 -0.509 -0.517 1.00 1.37 H new ATOM 0 HD12 LEU A 103 -11.119 -0.556 -2.296 1.00 1.37 H new ATOM 0 HD13 LEU A 103 -9.613 -0.169 -1.431 1.00 1.37 H new ATOM 0 HD21 LEU A 103 -10.933 1.640 0.674 1.00 1.02 H new ATOM 0 HD22 LEU A 103 -9.441 2.063 -0.199 1.00 1.02 H new ATOM 0 HD23 LEU A 103 -10.835 3.168 -0.232 1.00 1.02 H new ATOM 1605 N ILE A 104 -12.893 2.810 -4.884 1.00 0.26 N ATOM 1606 CA ILE A 104 -14.294 3.143 -5.096 1.00 0.30 C ATOM 1607 C ILE A 104 -14.929 2.122 -6.022 1.00 0.28 C ATOM 1608 O ILE A 104 -16.042 1.651 -5.785 1.00 0.34 O ATOM 1609 CB ILE A 104 -14.469 4.543 -5.718 1.00 0.37 C ATOM 1610 CG1 ILE A 104 -13.666 5.587 -4.941 1.00 0.37 C ATOM 1611 CG2 ILE A 104 -15.942 4.924 -5.758 1.00 0.45 C ATOM 1612 CD1 ILE A 104 -13.551 6.914 -5.661 1.00 0.43 C ATOM 0 H ILE A 104 -12.235 3.446 -5.335 1.00 0.26 H new ATOM 0 HA ILE A 104 -14.778 3.136 -4.120 1.00 0.30 H new ATOM 0 HB ILE A 104 -14.089 4.514 -6.739 1.00 0.37 H new ATOM 0 HG12 ILE A 104 -14.136 5.748 -3.971 1.00 0.37 H new ATOM 0 HG13 ILE A 104 -12.666 5.198 -4.750 1.00 0.37 H new ATOM 0 HG21 ILE A 104 -16.050 5.915 -6.200 1.00 0.45 H new ATOM 0 HG22 ILE A 104 -16.490 4.198 -6.358 1.00 0.45 H new ATOM 0 HG23 ILE A 104 -16.343 4.933 -4.745 1.00 0.45 H new ATOM 0 HD11 ILE A 104 -12.969 7.608 -5.054 1.00 0.43 H new ATOM 0 HD12 ILE A 104 -13.054 6.766 -6.620 1.00 0.43 H new ATOM 0 HD13 ILE A 104 -14.547 7.325 -5.828 1.00 0.43 H new ATOM 1624 N LYS A 105 -14.202 1.782 -7.082 1.00 0.24 N ATOM 1625 CA LYS A 105 -14.682 0.810 -8.054 1.00 0.29 C ATOM 1626 C LYS A 105 -14.650 -0.605 -7.479 1.00 0.29 C ATOM 1627 O LYS A 105 -14.969 -1.569 -8.176 1.00 0.31 O ATOM 1628 CB LYS A 105 -13.846 0.881 -9.340 1.00 0.36 C ATOM 1629 CG LYS A 105 -12.573 0.049 -9.299 1.00 0.53 C ATOM 1630 CD LYS A 105 -12.029 -0.207 -10.695 1.00 0.62 C ATOM 1631 CE LYS A 105 -10.822 -1.130 -10.663 1.00 1.05 C ATOM 1632 NZ LYS A 105 -11.001 -2.310 -11.552 1.00 1.65 N ATOM 0 H LYS A 105 -13.280 2.166 -7.288 1.00 0.24 H new ATOM 0 HA LYS A 105 -15.717 1.056 -8.293 1.00 0.29 H new ATOM 0 HB2 LYS A 105 -14.458 0.548 -10.178 1.00 0.36 H new ATOM 0 HB3 LYS A 105 -13.582 1.921 -9.532 1.00 0.36 H new ATOM 0 HG2 LYS A 105 -11.820 0.564 -8.703 1.00 0.53 H new ATOM 0 HG3 LYS A 105 -12.774 -0.902 -8.806 1.00 0.53 H new ATOM 0 HD2 LYS A 105 -12.809 -0.648 -11.315 1.00 0.62 H new ATOM 0 HD3 LYS A 105 -11.752 0.740 -11.158 1.00 0.62 H new ATOM 0 HE2 LYS A 105 -9.934 -0.577 -10.969 1.00 1.05 H new ATOM 0 HE3 LYS A 105 -10.651 -1.468 -9.641 1.00 1.05 H new ATOM 0 HZ1 LYS A 105 -10.156 -2.914 -11.501 1.00 1.65 H new ATOM 0 HZ2 LYS A 105 -11.833 -2.853 -11.245 1.00 1.65 H new ATOM 0 HZ3 LYS A 105 -11.139 -1.989 -12.532 1.00 1.65 H new ATOM 1646 N LYS A 106 -14.272 -0.730 -6.205 1.00 0.29 N ATOM 1647 CA LYS A 106 -14.218 -2.041 -5.564 1.00 0.32 C ATOM 1648 C LYS A 106 -14.984 -2.037 -4.245 1.00 0.35 C ATOM 1649 O LYS A 106 -15.826 -1.168 -4.013 1.00 0.56 O ATOM 1650 CB LYS A 106 -12.767 -2.482 -5.340 1.00 0.30 C ATOM 1651 CG LYS A 106 -12.058 -1.745 -4.218 1.00 0.38 C ATOM 1652 CD LYS A 106 -10.741 -2.420 -3.859 1.00 0.52 C ATOM 1653 CE LYS A 106 -9.674 -2.159 -4.910 1.00 0.68 C ATOM 1654 NZ LYS A 106 -9.777 -3.108 -6.053 1.00 1.27 N ATOM 0 H LYS A 106 -14.003 0.050 -5.606 1.00 0.29 H new ATOM 0 HA LYS A 106 -14.694 -2.758 -6.233 1.00 0.32 H new ATOM 0 HB2 LYS A 106 -12.753 -3.550 -5.123 1.00 0.30 H new ATOM 0 HB3 LYS A 106 -12.208 -2.337 -6.265 1.00 0.30 H new ATOM 0 HG2 LYS A 106 -11.871 -0.714 -4.518 1.00 0.38 H new ATOM 0 HG3 LYS A 106 -12.702 -1.709 -3.339 1.00 0.38 H new ATOM 0 HD2 LYS A 106 -10.396 -2.055 -2.891 1.00 0.52 H new ATOM 0 HD3 LYS A 106 -10.898 -3.494 -3.757 1.00 0.52 H new ATOM 0 HE2 LYS A 106 -9.768 -1.137 -5.277 1.00 0.68 H new ATOM 0 HE3 LYS A 106 -8.687 -2.245 -4.455 1.00 0.68 H new ATOM 0 HZ1 LYS A 106 -8.829 -3.291 -6.439 1.00 1.27 H new ATOM 0 HZ2 LYS A 106 -10.196 -4.002 -5.725 1.00 1.27 H new ATOM 0 HZ3 LYS A 106 -10.378 -2.695 -6.794 1.00 1.27 H new ATOM 1668 N GLU A 107 -14.705 -3.016 -3.392 1.00 0.33 N ATOM 1669 CA GLU A 107 -15.389 -3.121 -2.110 1.00 0.36 C ATOM 1670 C GLU A 107 -14.580 -2.493 -0.974 1.00 0.34 C ATOM 1671 O GLU A 107 -15.053 -1.561 -0.325 1.00 0.64 O ATOM 1672 CB GLU A 107 -15.722 -4.587 -1.801 1.00 0.42 C ATOM 1673 CG GLU A 107 -16.216 -4.816 -0.382 1.00 0.58 C ATOM 1674 CD GLU A 107 -17.545 -5.544 -0.338 1.00 0.89 C ATOM 1675 OE1 GLU A 107 -17.729 -6.495 -1.127 1.00 1.21 O ATOM 1676 OE2 GLU A 107 -18.402 -5.165 0.488 1.00 1.44 O ATOM 0 H GLU A 107 -14.013 -3.745 -3.564 1.00 0.33 H new ATOM 0 HA GLU A 107 -16.319 -2.558 -2.186 1.00 0.36 H new ATOM 0 HB2 GLU A 107 -16.482 -4.933 -2.501 1.00 0.42 H new ATOM 0 HB3 GLU A 107 -14.833 -5.195 -1.969 1.00 0.42 H new ATOM 0 HG2 GLU A 107 -15.472 -5.391 0.169 1.00 0.58 H new ATOM 0 HG3 GLU A 107 -16.315 -3.856 0.124 1.00 0.58 H new ATOM 1683 N LYS A 108 -13.374 -2.996 -0.714 1.00 0.34 N ATOM 1684 CA LYS A 108 -12.566 -2.447 0.375 1.00 0.34 C ATOM 1685 C LYS A 108 -11.172 -3.065 0.453 1.00 0.37 C ATOM 1686 O LYS A 108 -10.844 -3.999 -0.279 1.00 0.61 O ATOM 1687 CB LYS A 108 -13.281 -2.689 1.702 1.00 0.35 C ATOM 1688 CG LYS A 108 -13.660 -4.147 1.908 1.00 0.48 C ATOM 1689 CD LYS A 108 -14.340 -4.376 3.245 1.00 0.40 C ATOM 1690 CE LYS A 108 -15.732 -3.765 3.280 1.00 0.51 C ATOM 1691 NZ LYS A 108 -16.513 -4.221 4.461 1.00 1.23 N ATOM 0 H LYS A 108 -12.942 -3.764 -1.228 1.00 0.34 H new ATOM 0 HA LYS A 108 -12.444 -1.382 0.175 1.00 0.34 H new ATOM 0 HB2 LYS A 108 -12.638 -2.366 2.521 1.00 0.35 H new ATOM 0 HB3 LYS A 108 -14.181 -2.075 1.742 1.00 0.35 H new ATOM 0 HG2 LYS A 108 -14.324 -4.466 1.105 1.00 0.48 H new ATOM 0 HG3 LYS A 108 -12.765 -4.766 1.846 1.00 0.48 H new ATOM 0 HD2 LYS A 108 -14.407 -5.446 3.440 1.00 0.40 H new ATOM 0 HD3 LYS A 108 -13.733 -3.944 4.041 1.00 0.40 H new ATOM 0 HE2 LYS A 108 -15.650 -2.678 3.298 1.00 0.51 H new ATOM 0 HE3 LYS A 108 -16.267 -4.030 2.368 1.00 0.51 H new ATOM 0 HZ1 LYS A 108 -17.455 -3.781 4.445 1.00 1.23 H new ATOM 0 HZ2 LYS A 108 -16.614 -5.256 4.432 1.00 1.23 H new ATOM 0 HZ3 LYS A 108 -16.017 -3.946 5.333 1.00 1.23 H new ATOM 1705 N VAL A 109 -10.372 -2.537 1.382 1.00 0.20 N ATOM 1706 CA VAL A 109 -9.017 -3.021 1.625 1.00 0.22 C ATOM 1707 C VAL A 109 -8.643 -2.823 3.095 1.00 0.21 C ATOM 1708 O VAL A 109 -8.645 -1.699 3.598 1.00 0.23 O ATOM 1709 CB VAL A 109 -7.969 -2.310 0.751 1.00 0.24 C ATOM 1710 CG1 VAL A 109 -8.157 -2.678 -0.712 1.00 0.28 C ATOM 1711 CG2 VAL A 109 -8.034 -0.801 0.936 1.00 0.23 C ATOM 0 H VAL A 109 -10.648 -1.762 1.985 1.00 0.20 H new ATOM 0 HA VAL A 109 -9.014 -4.080 1.365 1.00 0.22 H new ATOM 0 HB VAL A 109 -6.982 -2.645 1.069 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -7.407 -2.166 -1.315 1.00 0.28 H new ATOM 0 HG12 VAL A 109 -8.046 -3.756 -0.833 1.00 0.28 H new ATOM 0 HG13 VAL A 109 -9.152 -2.377 -1.038 1.00 0.28 H new ATOM 0 HG21 VAL A 109 -7.282 -0.325 0.306 1.00 0.23 H new ATOM 0 HG22 VAL A 109 -9.024 -0.442 0.654 1.00 0.23 H new ATOM 0 HG23 VAL A 109 -7.842 -0.554 1.980 1.00 0.23 H new ATOM 1721 N TYR A 110 -8.333 -3.914 3.783 1.00 0.20 N ATOM 1722 CA TYR A 110 -7.972 -3.843 5.195 1.00 0.21 C ATOM 1723 C TYR A 110 -6.514 -3.417 5.340 1.00 0.22 C ATOM 1724 O TYR A 110 -5.603 -4.188 5.048 1.00 0.21 O ATOM 1725 CB TYR A 110 -8.227 -5.204 5.861 1.00 0.25 C ATOM 1726 CG TYR A 110 -7.268 -5.558 6.977 1.00 0.26 C ATOM 1727 CD1 TYR A 110 -7.366 -4.949 8.218 1.00 0.44 C ATOM 1728 CD2 TYR A 110 -6.270 -6.505 6.784 1.00 0.27 C ATOM 1729 CE1 TYR A 110 -6.497 -5.272 9.242 1.00 0.53 C ATOM 1730 CE2 TYR A 110 -5.397 -6.836 7.801 1.00 0.36 C ATOM 1731 CZ TYR A 110 -5.513 -6.217 9.030 1.00 0.48 C ATOM 1732 OH TYR A 110 -4.646 -6.542 10.046 1.00 0.59 O ATOM 0 H TYR A 110 -8.324 -4.855 3.390 1.00 0.20 H new ATOM 0 HA TYR A 110 -8.589 -3.097 5.695 1.00 0.21 H new ATOM 0 HB2 TYR A 110 -9.242 -5.213 6.258 1.00 0.25 H new ATOM 0 HB3 TYR A 110 -8.176 -5.981 5.098 1.00 0.25 H new ATOM 0 HD1 TYR A 110 -8.135 -4.209 8.387 1.00 0.44 H new ATOM 0 HD2 TYR A 110 -6.176 -6.990 5.824 1.00 0.27 H new ATOM 0 HE1 TYR A 110 -6.587 -4.788 10.203 1.00 0.53 H new ATOM 0 HE2 TYR A 110 -4.627 -7.575 7.636 1.00 0.36 H new ATOM 0 HH TYR A 110 -4.016 -7.224 9.733 1.00 0.59 H new ATOM 1742 N LEU A 111 -6.302 -2.173 5.767 1.00 0.25 N ATOM 1743 CA LEU A 111 -4.954 -1.634 5.920 1.00 0.30 C ATOM 1744 C LEU A 111 -4.287 -2.122 7.202 1.00 0.41 C ATOM 1745 O LEU A 111 -4.880 -2.084 8.280 1.00 0.64 O ATOM 1746 CB LEU A 111 -4.987 -0.099 5.897 1.00 0.50 C ATOM 1747 CG LEU A 111 -3.705 0.583 5.395 1.00 0.81 C ATOM 1748 CD1 LEU A 111 -2.592 0.452 6.422 1.00 1.76 C ATOM 1749 CD2 LEU A 111 -3.271 -0.004 4.059 1.00 1.34 C ATOM 0 H LEU A 111 -7.047 -1.521 6.013 1.00 0.25 H new ATOM 0 HA LEU A 111 -4.362 -1.996 5.079 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -5.818 0.220 5.267 1.00 0.50 H new ATOM 0 HB3 LEU A 111 -5.196 0.258 6.905 1.00 0.50 H new ATOM 0 HG LEU A 111 -3.917 1.642 5.251 1.00 0.81 H new ATOM 0 HD11 LEU A 111 -1.693 0.941 6.048 1.00 1.76 H new ATOM 0 HD12 LEU A 111 -2.900 0.924 7.355 1.00 1.76 H new ATOM 0 HD13 LEU A 111 -2.384 -0.603 6.600 1.00 1.76 H new ATOM 0 HD21 LEU A 111 -2.361 0.493 3.721 1.00 1.34 H new ATOM 0 HD22 LEU A 111 -3.080 -1.071 4.175 1.00 1.34 H new ATOM 0 HD23 LEU A 111 -4.061 0.145 3.322 1.00 1.34 H new ATOM 1761 N ALA A 112 -3.039 -2.565 7.069 1.00 0.34 N ATOM 1762 CA ALA A 112 -2.262 -3.051 8.204 1.00 0.54 C ATOM 1763 C ALA A 112 -0.773 -2.801 7.980 1.00 0.41 C ATOM 1764 O ALA A 112 -0.184 -3.328 7.035 1.00 0.42 O ATOM 1765 CB ALA A 112 -2.525 -4.531 8.431 1.00 0.83 C ATOM 0 H ALA A 112 -2.542 -2.597 6.179 1.00 0.34 H new ATOM 0 HA ALA A 112 -2.572 -2.504 9.094 1.00 0.54 H new ATOM 0 HB1 ALA A 112 -1.938 -4.879 9.281 1.00 0.83 H new ATOM 0 HB2 ALA A 112 -3.585 -4.685 8.634 1.00 0.83 H new ATOM 0 HB3 ALA A 112 -2.241 -5.092 7.540 1.00 0.83 H new ATOM 1771 N TRP A 113 -0.169 -1.987 8.843 1.00 0.40 N ATOM 1772 CA TRP A 113 1.247 -1.660 8.725 1.00 0.46 C ATOM 1773 C TRP A 113 2.103 -2.579 9.595 1.00 0.85 C ATOM 1774 O TRP A 113 1.627 -3.142 10.582 1.00 1.15 O ATOM 1775 CB TRP A 113 1.463 -0.179 9.089 1.00 0.31 C ATOM 1776 CG TRP A 113 2.777 0.132 9.764 1.00 0.53 C ATOM 1777 CD1 TRP A 113 3.852 0.770 9.212 1.00 1.31 C ATOM 1778 CD2 TRP A 113 3.147 -0.165 11.118 1.00 1.12 C ATOM 1779 NE1 TRP A 113 4.868 0.871 10.131 1.00 1.23 N ATOM 1780 CE2 TRP A 113 4.459 0.305 11.309 1.00 0.98 C ATOM 1781 CE3 TRP A 113 2.495 -0.790 12.181 1.00 2.26 C ATOM 1782 CZ2 TRP A 113 5.131 0.169 12.524 1.00 1.57 C ATOM 1783 CZ3 TRP A 113 3.159 -0.923 13.386 1.00 3.00 C ATOM 1784 CH2 TRP A 113 4.466 -0.445 13.548 1.00 2.58 C ATOM 0 H TRP A 113 -0.640 -1.543 9.631 1.00 0.40 H new ATOM 0 HA TRP A 113 1.562 -1.818 7.693 1.00 0.46 H new ATOM 0 HB2 TRP A 113 1.390 0.417 8.179 1.00 0.31 H new ATOM 0 HB3 TRP A 113 0.652 0.140 9.744 1.00 0.31 H new ATOM 0 HD1 TRP A 113 3.896 1.141 8.199 1.00 1.31 H new ATOM 0 HE1 TRP A 113 5.779 1.298 9.963 1.00 1.23 H new ATOM 0 HE3 TRP A 113 1.488 -1.164 12.064 1.00 2.26 H new ATOM 0 HZ2 TRP A 113 6.139 0.535 12.651 1.00 1.57 H new ATOM 0 HZ3 TRP A 113 2.662 -1.403 14.216 1.00 3.00 H new ATOM 0 HH2 TRP A 113 4.958 -0.564 14.502 1.00 2.58 H new