USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 730 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 55 SER OG : rot 180:sc=0.000228 USER MOD Set 1.2: A 78 TYR OH : rot -120:sc= 0 USER MOD Set 2.1: A 41 HIS : no HD1:sc= 0.369 K(o=0.8,f=0) USER MOD Set 2.2: A 43 TYR OH : rot -78:sc= 0.431 USER MOD Set 3.1: A 32 ASN : amide:sc= -0.064 K(o=0.0077,f=-2.2!) USER MOD Set 3.2: A 33 ASN : amide:sc= 0.0717 X(o=0.0077,f=-0.13) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.321 F(o=-1.1,f=-0.32) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.00594 USER MOD Single : A 22 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.4!) USER MOD Single : A 28 TYR OH : rot -121:sc= 1.77 USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= 1.13 (180deg=0.891) USER MOD Single : A 30 MET CE :methyl -161:sc= -0.108 (180deg=-0.575) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 138:sc= -0.0857 (180deg=-3.14!) USER MOD Single : A 42 THR OG1 : rot 125:sc= -0.136 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0.444 (180deg=0.252) USER MOD Single : A 56 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=0.0033) USER MOD Single : A 58 CYS SG : rot -60:sc= 0.661 USER MOD Single : A 64 HIS : no HE2:sc= 0.862 K(o=0.86,f=-4.3!) USER MOD Single : A 66 SER OG : rot 87:sc= -0.507! USER MOD Single : A 67 SER OG : rot 84:sc= 1.23 USER MOD Single : A 68 HIS : no HE2:sc= 0.00817 K(o=0.0082,f=-2.4!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 91:sc= 0.722 USER MOD Single : A 76 CYS SG : rot -97:sc= -2.85 USER MOD Single : A 77 SER OG : rot -40:sc= 1.37 USER MOD Single : A 80 SER OG : rot -50:sc= -3.58! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.12 F(o=-0.64,f=-0.12) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.261) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.125 USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 6 10.961 1.327 -8.554 1.00 0.66 N ATOM 74 CA PRO A 6 11.123 0.357 -7.469 1.00 0.47 C ATOM 75 C PRO A 6 10.606 -1.027 -7.832 1.00 0.48 C ATOM 76 O PRO A 6 9.590 -1.164 -8.519 1.00 0.62 O ATOM 77 CB PRO A 6 10.290 0.944 -6.320 1.00 0.59 C ATOM 78 CG PRO A 6 9.979 2.348 -6.723 1.00 0.87 C ATOM 79 CD PRO A 6 9.964 2.351 -8.222 1.00 0.84 C ATOM 0 HA PRO A 6 12.175 0.214 -7.224 1.00 0.47 H new ATOM 0 HB2 PRO A 6 9.377 0.370 -6.165 1.00 0.59 H new ATOM 0 HB3 PRO A 6 10.845 0.920 -5.382 1.00 0.59 H new ATOM 0 HG2 PRO A 6 9.016 2.665 -6.322 1.00 0.87 H new ATOM 0 HG3 PRO A 6 10.728 3.040 -6.338 1.00 0.87 H new ATOM 0 HD2 PRO A 6 8.980 2.102 -8.618 1.00 0.84 H new ATOM 0 HD3 PRO A 6 10.233 3.326 -8.628 1.00 0.84 H new ATOM 87 N LYS A 7 11.298 -2.049 -7.350 1.00 0.45 N ATOM 88 CA LYS A 7 10.921 -3.423 -7.611 1.00 0.52 C ATOM 89 C LYS A 7 10.333 -3.976 -6.338 1.00 0.42 C ATOM 90 O LYS A 7 11.056 -4.476 -5.475 1.00 0.42 O ATOM 91 CB LYS A 7 12.126 -4.279 -8.027 1.00 0.65 C ATOM 92 CG LYS A 7 13.011 -3.683 -9.120 1.00 1.24 C ATOM 93 CD LYS A 7 12.356 -3.679 -10.499 1.00 1.37 C ATOM 94 CE LYS A 7 11.343 -2.559 -10.647 1.00 1.70 C ATOM 95 NZ LYS A 7 11.006 -2.289 -12.066 1.00 2.49 N ATOM 0 H LYS A 7 12.131 -1.946 -6.771 1.00 0.45 H new ATOM 0 HA LYS A 7 10.206 -3.449 -8.434 1.00 0.52 H new ATOM 0 HB2 LYS A 7 12.741 -4.462 -7.146 1.00 0.65 H new ATOM 0 HB3 LYS A 7 11.761 -5.248 -8.368 1.00 0.65 H new ATOM 0 HG2 LYS A 7 13.272 -2.660 -8.848 1.00 1.24 H new ATOM 0 HG3 LYS A 7 13.942 -4.247 -9.170 1.00 1.24 H new ATOM 0 HD2 LYS A 7 13.125 -3.575 -11.265 1.00 1.37 H new ATOM 0 HD3 LYS A 7 11.864 -4.637 -10.669 1.00 1.37 H new ATOM 0 HE2 LYS A 7 10.435 -2.819 -10.103 1.00 1.70 H new ATOM 0 HE3 LYS A 7 11.739 -1.652 -10.191 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 10.311 -1.517 -12.117 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 11.867 -2.015 -12.581 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 10.603 -3.146 -12.496 1.00 2.49 H new ATOM 109 N ILE A 8 9.037 -3.830 -6.185 1.00 0.41 N ATOM 110 CA ILE A 8 8.413 -4.178 -4.935 1.00 0.34 C ATOM 111 C ILE A 8 8.075 -5.662 -4.913 1.00 0.36 C ATOM 112 O ILE A 8 7.282 -6.145 -5.726 1.00 0.48 O ATOM 113 CB ILE A 8 7.144 -3.342 -4.668 1.00 0.45 C ATOM 114 CG1 ILE A 8 7.393 -1.857 -4.975 1.00 0.72 C ATOM 115 CG2 ILE A 8 6.724 -3.511 -3.217 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.368 -1.185 -4.032 1.00 0.39 C ATOM 0 H ILE A 8 8.403 -3.477 -6.902 1.00 0.41 H new ATOM 0 HA ILE A 8 9.126 -3.955 -4.141 1.00 0.34 H new ATOM 0 HB ILE A 8 6.347 -3.695 -5.323 1.00 0.45 H new ATOM 0 HG12 ILE A 8 7.769 -1.766 -5.994 1.00 0.72 H new ATOM 0 HG13 ILE A 8 6.442 -1.325 -4.937 1.00 0.72 H new ATOM 0 HG21 ILE A 8 5.828 -2.921 -3.027 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.515 -4.562 -3.019 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.528 -3.171 -2.564 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.488 -0.140 -4.317 1.00 0.39 H new ATOM 0 HD12 ILE A 8 7.986 -1.241 -3.013 1.00 0.39 H new ATOM 0 HD13 ILE A 8 9.333 -1.689 -4.086 1.00 0.39 H new ATOM 128 N VAL A 9 8.689 -6.377 -3.985 1.00 0.31 N ATOM 129 CA VAL A 9 8.545 -7.821 -3.903 1.00 0.36 C ATOM 130 C VAL A 9 7.446 -8.180 -2.917 1.00 0.34 C ATOM 131 O VAL A 9 7.272 -7.506 -1.906 1.00 0.47 O ATOM 132 CB VAL A 9 9.875 -8.481 -3.472 1.00 0.41 C ATOM 133 CG1 VAL A 9 9.751 -9.997 -3.409 1.00 0.89 C ATOM 134 CG2 VAL A 9 10.993 -8.077 -4.417 1.00 0.86 C ATOM 0 H VAL A 9 9.298 -5.976 -3.271 1.00 0.31 H new ATOM 0 HA VAL A 9 8.277 -8.196 -4.891 1.00 0.36 H new ATOM 0 HB VAL A 9 10.115 -8.128 -2.469 1.00 0.41 H new ATOM 0 HG11 VAL A 9 10.704 -10.428 -3.103 1.00 0.89 H new ATOM 0 HG12 VAL A 9 8.981 -10.269 -2.687 1.00 0.89 H new ATOM 0 HG13 VAL A 9 9.478 -10.381 -4.392 1.00 0.89 H new ATOM 0 HG21 VAL A 9 11.924 -8.549 -4.102 1.00 0.86 H new ATOM 0 HG22 VAL A 9 10.748 -8.398 -5.429 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.111 -6.994 -4.399 1.00 0.86 H new ATOM 144 N TRP A 10 6.699 -9.226 -3.213 1.00 0.33 N ATOM 145 CA TRP A 10 5.627 -9.648 -2.338 1.00 0.31 C ATOM 146 C TRP A 10 6.036 -10.877 -1.532 1.00 0.34 C ATOM 147 O TRP A 10 6.155 -11.980 -2.064 1.00 0.42 O ATOM 148 CB TRP A 10 4.351 -9.924 -3.139 1.00 0.38 C ATOM 149 CG TRP A 10 3.198 -10.357 -2.280 1.00 0.41 C ATOM 150 CD1 TRP A 10 2.917 -9.917 -1.022 1.00 0.40 C ATOM 151 CD2 TRP A 10 2.169 -11.296 -2.615 1.00 0.50 C ATOM 152 NE1 TRP A 10 1.794 -10.533 -0.541 1.00 0.46 N ATOM 153 CE2 TRP A 10 1.308 -11.383 -1.501 1.00 0.52 C ATOM 154 CE3 TRP A 10 1.892 -12.075 -3.740 1.00 0.60 C ATOM 155 CZ2 TRP A 10 0.190 -12.217 -1.485 1.00 0.62 C ATOM 156 CZ3 TRP A 10 0.782 -12.901 -3.725 1.00 0.71 C ATOM 157 CH2 TRP A 10 -0.057 -12.966 -2.604 1.00 0.72 C ATOM 0 H TRP A 10 6.815 -9.797 -4.050 1.00 0.33 H new ATOM 0 HA TRP A 10 5.422 -8.838 -1.638 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.071 -9.024 -3.686 1.00 0.38 H new ATOM 0 HB3 TRP A 10 4.554 -10.697 -3.880 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.498 -9.185 -0.481 1.00 0.40 H new ATOM 0 HE1 TRP A 10 1.385 -10.384 0.381 1.00 0.46 H new ATOM 0 HE3 TRP A 10 2.534 -12.034 -4.608 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 -0.457 -12.270 -0.622 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 0.558 -13.506 -4.591 1.00 0.71 H new ATOM 0 HH2 TRP A 10 -0.916 -13.620 -2.623 1.00 0.72 H new ATOM 168 N ASN A 11 6.258 -10.665 -0.245 1.00 0.34 N ATOM 169 CA ASN A 11 6.555 -11.748 0.676 1.00 0.43 C ATOM 170 C ASN A 11 5.242 -12.315 1.199 1.00 0.45 C ATOM 171 O ASN A 11 4.783 -11.968 2.293 1.00 0.46 O ATOM 172 CB ASN A 11 7.429 -11.248 1.835 1.00 0.47 C ATOM 173 CG ASN A 11 8.076 -12.380 2.612 1.00 0.63 C ATOM 174 OD1 ASN A 11 7.426 -12.824 3.674 1.00 1.39 O flip ATOM 175 ND2 ASN A 11 9.160 -12.844 2.268 1.00 1.08 N flip ATOM 0 H ASN A 11 6.237 -9.742 0.188 1.00 0.34 H new ATOM 0 HA ASN A 11 7.111 -12.529 0.157 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.206 -10.592 1.442 1.00 0.47 H new ATOM 0 HB3 ASN A 11 6.819 -10.650 2.512 1.00 0.47 H new ATOM 0 HD21 ASN A 11 9.633 -12.477 1.442 1.00 1.08 H new ATOM 0 HD22 ASN A 11 9.587 -13.597 2.808 1.00 1.08 H new ATOM 182 N GLU A 12 4.625 -13.160 0.386 1.00 0.53 N ATOM 183 CA GLU A 12 3.289 -13.676 0.654 1.00 0.59 C ATOM 184 C GLU A 12 3.235 -14.531 1.917 1.00 0.62 C ATOM 185 O GLU A 12 2.160 -14.732 2.481 1.00 0.65 O ATOM 186 CB GLU A 12 2.775 -14.465 -0.548 1.00 0.76 C ATOM 187 CG GLU A 12 3.685 -15.595 -0.991 1.00 1.09 C ATOM 188 CD GLU A 12 3.166 -16.284 -2.232 1.00 1.43 C ATOM 189 OE1 GLU A 12 2.133 -16.978 -2.141 1.00 1.71 O ATOM 190 OE2 GLU A 12 3.783 -16.136 -3.306 1.00 1.92 O ATOM 0 H GLU A 12 5.037 -13.508 -0.480 1.00 0.53 H new ATOM 0 HA GLU A 12 2.641 -12.816 0.825 1.00 0.59 H new ATOM 0 HB2 GLU A 12 1.796 -14.877 -0.305 1.00 0.76 H new ATOM 0 HB3 GLU A 12 2.634 -13.780 -1.384 1.00 0.76 H new ATOM 0 HG2 GLU A 12 4.683 -15.202 -1.185 1.00 1.09 H new ATOM 0 HG3 GLU A 12 3.779 -16.322 -0.185 1.00 1.09 H new ATOM 197 N GLY A 13 4.387 -15.012 2.372 1.00 0.65 N ATOM 198 CA GLY A 13 4.435 -15.767 3.613 1.00 0.73 C ATOM 199 C GLY A 13 4.037 -14.914 4.801 1.00 0.70 C ATOM 200 O GLY A 13 3.590 -15.422 5.831 1.00 0.80 O ATOM 0 H GLY A 13 5.287 -14.894 1.906 1.00 0.65 H new ATOM 0 HA2 GLY A 13 3.769 -16.627 3.542 1.00 0.73 H new ATOM 0 HA3 GLY A 13 5.442 -16.156 3.764 1.00 0.73 H new ATOM 204 N LYS A 14 4.196 -13.608 4.646 1.00 0.59 N ATOM 205 CA LYS A 14 3.817 -12.656 5.678 1.00 0.59 C ATOM 206 C LYS A 14 2.711 -11.742 5.160 1.00 0.51 C ATOM 207 O LYS A 14 2.209 -10.884 5.885 1.00 0.55 O ATOM 208 CB LYS A 14 5.023 -11.816 6.096 1.00 0.61 C ATOM 209 CG LYS A 14 6.189 -12.624 6.634 1.00 0.86 C ATOM 210 CD LYS A 14 5.792 -13.460 7.834 1.00 1.21 C ATOM 211 CE LYS A 14 6.963 -14.283 8.332 1.00 1.26 C ATOM 212 NZ LYS A 14 6.567 -15.179 9.445 1.00 1.79 N ATOM 0 H LYS A 14 4.589 -13.181 3.807 1.00 0.59 H new ATOM 0 HA LYS A 14 3.454 -13.208 6.545 1.00 0.59 H new ATOM 0 HB2 LYS A 14 5.363 -11.237 5.238 1.00 0.61 H new ATOM 0 HB3 LYS A 14 4.708 -11.103 6.858 1.00 0.61 H new ATOM 0 HG2 LYS A 14 6.572 -13.275 5.849 1.00 0.86 H new ATOM 0 HG3 LYS A 14 6.999 -11.950 6.913 1.00 0.86 H new ATOM 0 HD2 LYS A 14 5.434 -12.810 8.632 1.00 1.21 H new ATOM 0 HD3 LYS A 14 4.967 -14.120 7.566 1.00 1.21 H new ATOM 0 HE2 LYS A 14 7.366 -14.877 7.512 1.00 1.26 H new ATOM 0 HE3 LYS A 14 7.760 -13.618 8.665 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 7.393 -15.727 9.760 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 6.206 -14.610 10.237 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 5.824 -15.830 9.119 1.00 1.79 H new ATOM 226 N ARG A 15 2.360 -11.941 3.886 1.00 0.45 N ATOM 227 CA ARG A 15 1.309 -11.173 3.208 1.00 0.44 C ATOM 228 C ARG A 15 1.731 -9.718 3.033 1.00 0.37 C ATOM 229 O ARG A 15 0.896 -8.825 2.987 1.00 0.52 O ATOM 230 CB ARG A 15 -0.010 -11.223 3.985 1.00 0.56 C ATOM 231 CG ARG A 15 -0.428 -12.611 4.434 1.00 0.66 C ATOM 232 CD ARG A 15 -1.704 -12.543 5.251 1.00 0.87 C ATOM 233 NE ARG A 15 -2.017 -13.809 5.907 1.00 1.83 N ATOM 234 CZ ARG A 15 -2.301 -13.913 7.203 1.00 2.36 C ATOM 235 NH1 ARG A 15 -2.199 -12.849 7.993 1.00 2.32 N ATOM 236 NH2 ARG A 15 -2.652 -15.086 7.715 1.00 3.42 N ATOM 0 H ARG A 15 2.799 -12.644 3.292 1.00 0.45 H new ATOM 0 HA ARG A 15 1.158 -11.629 2.229 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.076 -10.582 4.863 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.800 -10.804 3.361 1.00 0.56 H new ATOM 0 HG2 ARG A 15 -0.580 -13.251 3.565 1.00 0.66 H new ATOM 0 HG3 ARG A 15 0.367 -13.063 5.027 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -1.608 -11.761 6.005 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -2.532 -12.260 4.602 1.00 0.87 H new ATOM 0 HE ARG A 15 -2.018 -14.658 5.342 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -1.903 -11.953 7.606 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -2.417 -12.929 8.986 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -2.704 -15.909 7.115 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -2.869 -15.164 8.708 1.00 3.42 H new ATOM 250 N ARG A 16 3.025 -9.485 2.903 1.00 0.27 N ATOM 251 CA ARG A 16 3.543 -8.124 2.845 1.00 0.24 C ATOM 252 C ARG A 16 4.406 -7.901 1.624 1.00 0.23 C ATOM 253 O ARG A 16 4.786 -8.841 0.942 1.00 0.29 O ATOM 254 CB ARG A 16 4.368 -7.822 4.085 1.00 0.33 C ATOM 255 CG ARG A 16 5.303 -8.955 4.468 1.00 0.55 C ATOM 256 CD ARG A 16 6.104 -8.629 5.713 1.00 0.68 C ATOM 257 NE ARG A 16 7.343 -7.911 5.411 1.00 0.91 N ATOM 258 CZ ARG A 16 8.208 -7.506 6.342 1.00 1.02 C ATOM 259 NH1 ARG A 16 7.903 -7.619 7.631 1.00 1.02 N ATOM 260 NH2 ARG A 16 9.372 -6.974 5.986 1.00 1.86 N ATOM 0 H ARG A 16 3.735 -10.214 2.836 1.00 0.27 H new ATOM 0 HA ARG A 16 2.682 -7.457 2.790 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.953 -6.918 3.914 1.00 0.33 H new ATOM 0 HB3 ARG A 16 3.697 -7.615 4.919 1.00 0.33 H new ATOM 0 HG2 ARG A 16 4.724 -9.863 4.636 1.00 0.55 H new ATOM 0 HG3 ARG A 16 5.983 -9.160 3.641 1.00 0.55 H new ATOM 0 HD2 ARG A 16 5.494 -8.027 6.386 1.00 0.68 H new ATOM 0 HD3 ARG A 16 6.343 -9.553 6.240 1.00 0.68 H new ATOM 0 HE ARG A 16 7.557 -7.709 4.434 1.00 0.91 H new ATOM 0 HH11 ARG A 16 7.006 -8.016 7.910 1.00 1.02 H new ATOM 0 HH12 ARG A 16 8.566 -7.309 8.341 1.00 1.02 H new ATOM 0 HH21 ARG A 16 9.606 -6.874 4.998 1.00 1.86 H new ATOM 0 HH22 ARG A 16 10.031 -6.665 6.700 1.00 1.86 H new ATOM 274 N PHE A 17 4.739 -6.651 1.389 1.00 0.23 N ATOM 275 CA PHE A 17 5.609 -6.283 0.283 1.00 0.24 C ATOM 276 C PHE A 17 6.954 -5.827 0.815 1.00 0.30 C ATOM 277 O PHE A 17 7.141 -5.731 2.025 1.00 0.55 O ATOM 278 CB PHE A 17 4.998 -5.161 -0.555 1.00 0.28 C ATOM 279 CG PHE A 17 3.691 -5.512 -1.191 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.602 -6.569 -2.075 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.555 -4.780 -0.907 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.400 -6.891 -2.666 1.00 0.39 C ATOM 283 CE2 PHE A 17 1.351 -5.097 -1.496 1.00 0.40 C ATOM 284 CZ PHE A 17 1.272 -6.154 -2.377 1.00 0.41 C ATOM 0 H PHE A 17 4.419 -5.863 1.952 1.00 0.23 H new ATOM 0 HA PHE A 17 5.734 -7.162 -0.349 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.857 -4.285 0.078 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.705 -4.880 -1.335 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.483 -7.149 -2.305 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.611 -3.951 -0.217 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.342 -7.720 -3.355 1.00 0.39 H new ATOM 0 HE2 PHE A 17 0.469 -4.517 -1.268 1.00 0.40 H new ATOM 0 HZ PHE A 17 0.329 -6.404 -2.840 1.00 0.41 H new ATOM 294 N GLU A 18 7.880 -5.559 -0.091 1.00 0.22 N ATOM 295 CA GLU A 18 9.175 -5.012 0.269 1.00 0.25 C ATOM 296 C GLU A 18 9.821 -4.396 -0.952 1.00 0.29 C ATOM 297 O GLU A 18 9.919 -5.033 -1.999 1.00 0.39 O ATOM 298 CB GLU A 18 10.070 -6.104 0.856 1.00 0.34 C ATOM 299 CG GLU A 18 10.971 -5.623 1.976 1.00 1.08 C ATOM 300 CD GLU A 18 11.572 -6.774 2.753 1.00 0.96 C ATOM 301 OE1 GLU A 18 10.925 -7.253 3.708 1.00 1.16 O ATOM 302 OE2 GLU A 18 12.689 -7.217 2.405 1.00 0.85 O ATOM 0 H GLU A 18 7.755 -5.714 -1.091 1.00 0.22 H new ATOM 0 HA GLU A 18 9.040 -4.240 1.027 1.00 0.25 H new ATOM 0 HB2 GLU A 18 9.442 -6.913 1.230 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.687 -6.521 0.060 1.00 0.34 H new ATOM 0 HG2 GLU A 18 11.770 -5.009 1.560 1.00 1.08 H new ATOM 0 HG3 GLU A 18 10.400 -4.987 2.653 1.00 1.08 H new ATOM 309 N THR A 19 10.232 -3.146 -0.826 1.00 0.25 N ATOM 310 CA THR A 19 10.909 -2.460 -1.908 1.00 0.29 C ATOM 311 C THR A 19 12.249 -3.142 -2.178 1.00 0.35 C ATOM 312 O THR A 19 12.729 -3.926 -1.354 1.00 0.37 O ATOM 313 CB THR A 19 11.126 -0.962 -1.572 1.00 0.33 C ATOM 314 OG1 THR A 19 11.593 -0.250 -2.724 1.00 0.46 O ATOM 315 CG2 THR A 19 12.128 -0.792 -0.441 1.00 0.37 C ATOM 0 H THR A 19 10.107 -2.586 0.017 1.00 0.25 H new ATOM 0 HA THR A 19 10.285 -2.512 -2.800 1.00 0.29 H new ATOM 0 HB THR A 19 10.165 -0.556 -1.257 1.00 0.33 H new ATOM 0 HG1 THR A 19 11.723 0.694 -2.495 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.260 0.269 -0.228 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.759 -1.298 0.451 1.00 0.37 H new ATOM 0 HG23 THR A 19 13.085 -1.224 -0.734 1.00 0.37 H new ATOM 323 N GLU A 20 12.866 -2.822 -3.305 1.00 0.43 N ATOM 324 CA GLU A 20 14.148 -3.416 -3.682 1.00 0.53 C ATOM 325 C GLU A 20 15.258 -2.922 -2.759 1.00 0.56 C ATOM 326 O GLU A 20 16.427 -3.270 -2.916 1.00 0.68 O ATOM 327 CB GLU A 20 14.466 -3.085 -5.140 1.00 0.62 C ATOM 328 CG GLU A 20 14.702 -1.607 -5.392 1.00 0.77 C ATOM 329 CD GLU A 20 14.953 -1.309 -6.850 1.00 1.31 C ATOM 330 OE1 GLU A 20 16.111 -1.417 -7.285 1.00 1.83 O ATOM 331 OE2 GLU A 20 13.991 -0.957 -7.563 1.00 1.90 O ATOM 0 H GLU A 20 12.501 -2.151 -3.981 1.00 0.43 H new ATOM 0 HA GLU A 20 14.081 -4.499 -3.578 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.351 -3.643 -5.445 1.00 0.62 H new ATOM 0 HB3 GLU A 20 13.643 -3.425 -5.769 1.00 0.62 H new ATOM 0 HG2 GLU A 20 13.836 -1.039 -5.051 1.00 0.77 H new ATOM 0 HG3 GLU A 20 15.555 -1.272 -4.802 1.00 0.77 H new ATOM 338 N ASP A 21 14.868 -2.103 -1.799 1.00 0.52 N ATOM 339 CA ASP A 21 15.788 -1.562 -0.817 1.00 0.60 C ATOM 340 C ASP A 21 15.631 -2.301 0.510 1.00 0.54 C ATOM 341 O ASP A 21 16.491 -2.218 1.383 1.00 0.59 O ATOM 342 CB ASP A 21 15.528 -0.059 -0.662 1.00 0.67 C ATOM 343 CG ASP A 21 16.504 0.636 0.264 1.00 0.97 C ATOM 344 OD1 ASP A 21 17.725 0.434 0.113 1.00 1.39 O ATOM 345 OD2 ASP A 21 16.046 1.437 1.106 1.00 1.31 O ATOM 0 H ASP A 21 13.903 -1.794 -1.679 1.00 0.52 H new ATOM 0 HA ASP A 21 16.817 -1.702 -1.149 1.00 0.60 H new ATOM 0 HB2 ASP A 21 15.575 0.412 -1.644 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.516 0.089 -0.285 1.00 0.67 H new ATOM 350 N HIS A 22 14.515 -3.034 0.637 1.00 0.45 N ATOM 351 CA HIS A 22 14.216 -3.881 1.808 1.00 0.45 C ATOM 352 C HIS A 22 13.987 -3.068 3.087 1.00 0.44 C ATOM 353 O HIS A 22 13.445 -3.579 4.066 1.00 0.51 O ATOM 354 CB HIS A 22 15.325 -4.915 2.033 1.00 0.57 C ATOM 355 CG HIS A 22 15.483 -5.877 0.898 1.00 0.64 C ATOM 356 ND1 HIS A 22 14.676 -6.975 0.725 1.00 0.65 N ATOM 357 CD2 HIS A 22 16.352 -5.888 -0.136 1.00 0.74 C ATOM 358 CE1 HIS A 22 15.043 -7.622 -0.364 1.00 0.76 C ATOM 359 NE2 HIS A 22 16.060 -6.984 -0.908 1.00 0.82 N ATOM 0 H HIS A 22 13.786 -3.058 -0.076 1.00 0.45 H new ATOM 0 HA HIS A 22 13.283 -4.397 1.582 1.00 0.45 H new ATOM 0 HB2 HIS A 22 16.269 -4.394 2.192 1.00 0.57 H new ATOM 0 HB3 HIS A 22 15.111 -5.473 2.945 1.00 0.57 H new ATOM 0 HD1 HIS A 22 13.912 -7.248 1.343 1.00 0.65 H new ATOM 0 HD2 HIS A 22 17.134 -5.166 -0.321 1.00 0.74 H new ATOM 0 HE1 HIS A 22 14.587 -8.523 -0.746 1.00 0.76 H new ATOM 368 N GLU A 23 14.399 -1.814 3.076 1.00 0.47 N ATOM 369 CA GLU A 23 14.216 -0.931 4.216 1.00 0.52 C ATOM 370 C GLU A 23 12.783 -0.421 4.269 1.00 0.40 C ATOM 371 O GLU A 23 12.284 -0.022 5.322 1.00 0.49 O ATOM 372 CB GLU A 23 15.188 0.242 4.118 1.00 0.69 C ATOM 373 CG GLU A 23 16.645 -0.182 4.069 1.00 0.84 C ATOM 374 CD GLU A 23 17.051 -0.953 5.306 1.00 1.51 C ATOM 375 OE1 GLU A 23 17.094 -0.341 6.399 1.00 1.72 O ATOM 376 OE2 GLU A 23 17.320 -2.165 5.199 1.00 2.28 O ATOM 0 H GLU A 23 14.868 -1.379 2.281 1.00 0.47 H new ATOM 0 HA GLU A 23 14.417 -1.489 5.131 1.00 0.52 H new ATOM 0 HB2 GLU A 23 14.956 0.822 3.225 1.00 0.69 H new ATOM 0 HB3 GLU A 23 15.038 0.901 4.974 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.814 -0.798 3.186 1.00 0.84 H new ATOM 0 HG3 GLU A 23 17.277 0.701 3.968 1.00 0.84 H new ATOM 383 N ALA A 24 12.130 -0.440 3.122 1.00 0.29 N ATOM 384 CA ALA A 24 10.758 0.015 3.012 1.00 0.22 C ATOM 385 C ALA A 24 9.854 -1.140 2.626 1.00 0.17 C ATOM 386 O ALA A 24 10.176 -1.917 1.725 1.00 0.19 O ATOM 387 CB ALA A 24 10.654 1.129 1.991 1.00 0.26 C ATOM 0 H ALA A 24 12.534 -0.770 2.245 1.00 0.29 H new ATOM 0 HA ALA A 24 10.438 0.401 3.980 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.618 1.461 1.919 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.282 1.965 2.299 1.00 0.26 H new ATOM 0 HB3 ALA A 24 10.987 0.764 1.019 1.00 0.26 H new ATOM 393 N PHE A 25 8.730 -1.250 3.305 1.00 0.14 N ATOM 394 CA PHE A 25 7.806 -2.339 3.069 1.00 0.15 C ATOM 395 C PHE A 25 6.428 -1.994 3.599 1.00 0.15 C ATOM 396 O PHE A 25 6.268 -1.045 4.364 1.00 0.17 O ATOM 397 CB PHE A 25 8.313 -3.632 3.716 1.00 0.23 C ATOM 398 CG PHE A 25 8.615 -3.534 5.185 1.00 0.30 C ATOM 399 CD1 PHE A 25 9.798 -2.962 5.626 1.00 0.37 C ATOM 400 CD2 PHE A 25 7.708 -3.995 6.125 1.00 0.39 C ATOM 401 CE1 PHE A 25 10.069 -2.857 6.977 1.00 0.47 C ATOM 402 CE2 PHE A 25 7.975 -3.892 7.476 1.00 0.49 C ATOM 403 CZ PHE A 25 9.189 -3.384 7.900 1.00 0.52 C ATOM 0 H PHE A 25 8.434 -0.594 4.028 1.00 0.14 H new ATOM 0 HA PHE A 25 7.736 -2.496 1.993 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.567 -4.412 3.566 1.00 0.23 H new ATOM 0 HB3 PHE A 25 9.216 -3.950 3.196 1.00 0.23 H new ATOM 0 HD1 PHE A 25 10.515 -2.595 4.907 1.00 0.37 H new ATOM 0 HD2 PHE A 25 6.780 -4.441 5.797 1.00 0.39 H new ATOM 0 HE1 PHE A 25 10.969 -2.363 7.310 1.00 0.47 H new ATOM 0 HE2 PHE A 25 7.238 -4.207 8.199 1.00 0.49 H new ATOM 0 HZ PHE A 25 9.447 -3.400 8.949 1.00 0.52 H new ATOM 413 N ILE A 26 5.440 -2.758 3.182 1.00 0.20 N ATOM 414 CA ILE A 26 4.084 -2.567 3.652 1.00 0.23 C ATOM 415 C ILE A 26 3.498 -3.901 4.065 1.00 0.23 C ATOM 416 O ILE A 26 3.725 -4.913 3.395 1.00 0.26 O ATOM 417 CB ILE A 26 3.197 -1.879 2.577 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.612 -0.606 3.172 1.00 0.41 C ATOM 419 CG2 ILE A 26 2.086 -2.797 2.052 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.671 0.129 2.251 1.00 0.73 C ATOM 0 H ILE A 26 5.552 -3.521 2.515 1.00 0.20 H new ATOM 0 HA ILE A 26 4.108 -1.904 4.517 1.00 0.23 H new ATOM 0 HB ILE A 26 3.822 -1.641 1.717 1.00 0.31 H new ATOM 0 HG12 ILE A 26 2.082 -0.858 4.090 1.00 0.41 H new ATOM 0 HG13 ILE A 26 3.428 0.062 3.448 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.498 -2.265 1.304 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.530 -3.684 1.601 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.440 -3.095 2.878 1.00 0.39 H new ATOM 0 HD11 ILE A 26 1.298 1.024 2.750 1.00 0.73 H new ATOM 0 HD12 ILE A 26 2.201 0.414 1.342 1.00 0.73 H new ATOM 0 HD13 ILE A 26 0.833 -0.519 1.994 1.00 0.73 H new ATOM 432 N GLU A 27 2.784 -3.919 5.177 1.00 0.22 N ATOM 433 CA GLU A 27 2.126 -5.132 5.608 1.00 0.23 C ATOM 434 C GLU A 27 0.656 -5.035 5.248 1.00 0.22 C ATOM 435 O GLU A 27 0.099 -3.944 5.230 1.00 0.27 O ATOM 436 CB GLU A 27 2.310 -5.351 7.117 1.00 0.26 C ATOM 437 CG GLU A 27 1.752 -6.683 7.602 1.00 0.65 C ATOM 438 CD GLU A 27 2.001 -6.939 9.073 1.00 1.14 C ATOM 439 OE1 GLU A 27 3.185 -7.052 9.469 1.00 1.23 O ATOM 440 OE2 GLU A 27 1.018 -7.010 9.845 1.00 1.65 O ATOM 0 H GLU A 27 2.648 -3.115 5.790 1.00 0.22 H new ATOM 0 HA GLU A 27 2.571 -5.990 5.104 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.372 -5.300 7.358 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.821 -4.541 7.658 1.00 0.26 H new ATOM 0 HG2 GLU A 27 0.679 -6.710 7.413 1.00 0.65 H new ATOM 0 HG3 GLU A 27 2.198 -7.489 7.020 1.00 0.65 H new ATOM 447 N TYR A 28 0.036 -6.147 4.905 1.00 0.23 N ATOM 448 CA TYR A 28 -1.393 -6.150 4.681 1.00 0.22 C ATOM 449 C TYR A 28 -1.943 -7.543 4.889 1.00 0.28 C ATOM 450 O TYR A 28 -1.217 -8.527 4.799 1.00 0.45 O ATOM 451 CB TYR A 28 -1.761 -5.607 3.288 1.00 0.29 C ATOM 452 CG TYR A 28 -1.501 -6.549 2.132 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.462 -7.458 1.721 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.278 -6.540 1.471 1.00 0.40 C ATOM 455 CE1 TYR A 28 -2.214 -8.331 0.679 1.00 0.56 C ATOM 456 CE2 TYR A 28 -0.027 -7.405 0.426 1.00 0.50 C ATOM 457 CZ TYR A 28 -1.047 -8.252 -0.015 1.00 0.60 C ATOM 458 OH TYR A 28 -0.740 -9.174 -0.996 1.00 0.70 O ATOM 0 H TYR A 28 0.494 -7.049 4.777 1.00 0.23 H new ATOM 0 HA TYR A 28 -1.850 -5.478 5.407 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -2.819 -5.343 3.288 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.203 -4.687 3.117 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.418 -7.485 2.222 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.488 -5.845 1.781 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.948 -9.078 0.415 1.00 0.56 H new ATOM 0 HE2 TYR A 28 0.945 -7.427 -0.045 1.00 0.50 H new ATOM 0 HH TYR A 28 0.099 -9.626 -0.769 1.00 0.70 H new ATOM 468 N LYS A 29 -3.216 -7.620 5.197 1.00 0.24 N ATOM 469 CA LYS A 29 -3.837 -8.889 5.501 1.00 0.32 C ATOM 470 C LYS A 29 -5.282 -8.895 5.042 1.00 0.25 C ATOM 471 O LYS A 29 -6.002 -7.913 5.204 1.00 0.31 O ATOM 472 CB LYS A 29 -3.718 -9.214 7.004 1.00 0.49 C ATOM 473 CG LYS A 29 -4.269 -8.154 7.963 1.00 0.58 C ATOM 474 CD LYS A 29 -3.427 -6.879 7.998 1.00 0.74 C ATOM 475 CE LYS A 29 -1.960 -7.143 8.329 1.00 1.09 C ATOM 476 NZ LYS A 29 -1.748 -7.524 9.749 1.00 1.52 N ATOM 0 H LYS A 29 -3.844 -6.817 5.244 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.310 -9.672 4.956 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -4.236 -10.154 7.195 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -2.666 -9.377 7.239 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -5.288 -7.901 7.669 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -4.322 -8.574 8.967 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -3.492 -6.381 7.031 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -3.843 -6.195 8.738 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -1.585 -7.938 7.685 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -1.376 -6.250 8.106 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -0.746 -7.395 9.997 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -2.336 -6.923 10.361 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -2.013 -8.521 9.884 1.00 1.52 H new ATOM 490 N MET A 30 -5.691 -9.994 4.436 1.00 0.32 N ATOM 491 CA MET A 30 -7.027 -10.099 3.878 1.00 0.27 C ATOM 492 C MET A 30 -8.034 -10.432 4.968 1.00 0.30 C ATOM 493 O MET A 30 -8.063 -11.545 5.495 1.00 0.39 O ATOM 494 CB MET A 30 -7.064 -11.147 2.766 1.00 0.36 C ATOM 495 CG MET A 30 -6.167 -10.808 1.586 1.00 1.00 C ATOM 496 SD MET A 30 -6.291 -12.006 0.247 1.00 1.12 S ATOM 497 CE MET A 30 -5.761 -13.505 1.076 1.00 1.85 C ATOM 0 H MET A 30 -5.116 -10.828 4.317 1.00 0.32 H new ATOM 0 HA MET A 30 -7.298 -9.136 3.446 1.00 0.27 H new ATOM 0 HB2 MET A 30 -6.764 -12.111 3.176 1.00 0.36 H new ATOM 0 HB3 MET A 30 -8.090 -11.256 2.414 1.00 0.36 H new ATOM 0 HG2 MET A 30 -6.429 -9.820 1.208 1.00 1.00 H new ATOM 0 HG3 MET A 30 -5.133 -10.755 1.925 1.00 1.00 H new ATOM 0 HE1 MET A 30 -5.461 -14.245 0.334 1.00 1.85 H new ATOM 0 HE2 MET A 30 -4.916 -13.281 1.727 1.00 1.85 H new ATOM 0 HE3 MET A 30 -6.583 -13.902 1.672 1.00 1.85 H new ATOM 507 N ARG A 31 -8.851 -9.449 5.293 1.00 0.29 N ATOM 508 CA ARG A 31 -9.824 -9.564 6.353 1.00 0.39 C ATOM 509 C ARG A 31 -11.169 -9.992 5.802 1.00 0.42 C ATOM 510 O ARG A 31 -11.378 -9.989 4.584 1.00 0.38 O ATOM 511 CB ARG A 31 -9.965 -8.233 7.093 1.00 0.46 C ATOM 512 CG ARG A 31 -10.453 -7.080 6.254 1.00 0.67 C ATOM 513 CD ARG A 31 -10.345 -5.767 7.019 1.00 0.66 C ATOM 514 NE ARG A 31 -11.197 -5.748 8.207 1.00 0.98 N ATOM 515 CZ ARG A 31 -10.864 -5.150 9.353 1.00 1.28 C ATOM 516 NH1 ARG A 31 -9.680 -4.568 9.487 1.00 1.41 N ATOM 517 NH2 ARG A 31 -11.704 -5.147 10.380 1.00 2.03 N ATOM 0 H ARG A 31 -8.855 -8.543 4.824 1.00 0.29 H new ATOM 0 HA ARG A 31 -9.476 -10.324 7.052 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.653 -8.371 7.927 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -8.997 -7.968 7.518 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -9.868 -7.020 5.336 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -11.489 -7.251 5.961 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -9.308 -5.605 7.315 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -10.622 -4.942 6.362 1.00 0.66 H new ATOM 0 HE ARG A 31 -12.100 -6.220 8.157 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -9.017 -4.575 8.712 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -9.432 -4.113 10.365 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -12.612 -5.604 10.297 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -11.442 -4.688 11.252 1.00 2.03 H new ATOM 531 N ASN A 32 -12.066 -10.363 6.708 1.00 0.55 N ATOM 532 CA ASN A 32 -13.416 -10.775 6.350 1.00 0.64 C ATOM 533 C ASN A 32 -13.361 -11.965 5.397 1.00 0.65 C ATOM 534 O ASN A 32 -13.766 -11.863 4.244 1.00 0.66 O ATOM 535 CB ASN A 32 -14.183 -9.611 5.705 1.00 0.64 C ATOM 536 CG ASN A 32 -15.685 -9.853 5.624 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.155 -10.991 5.656 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.450 -8.777 5.510 1.00 0.99 N ATOM 0 H ASN A 32 -11.877 -10.386 7.710 1.00 0.55 H new ATOM 0 HA ASN A 32 -13.943 -11.071 7.257 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -13.998 -8.702 6.277 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.794 -9.440 4.701 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.463 -8.876 5.445 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -16.026 -7.850 5.487 1.00 0.99 H new ATOM 545 N ASN A 33 -12.800 -13.072 5.878 1.00 0.73 N ATOM 546 CA ASN A 33 -12.686 -14.309 5.096 1.00 0.83 C ATOM 547 C ASN A 33 -11.769 -14.121 3.888 1.00 0.78 C ATOM 548 O ASN A 33 -11.747 -14.951 2.979 1.00 1.04 O ATOM 549 CB ASN A 33 -14.061 -14.813 4.628 1.00 0.95 C ATOM 550 CG ASN A 33 -15.018 -15.059 5.776 1.00 1.62 C ATOM 551 OD1 ASN A 33 -15.003 -16.120 6.398 1.00 1.82 O ATOM 552 ND2 ASN A 33 -15.878 -14.091 6.049 1.00 2.33 N ATOM 0 H ASN A 33 -12.411 -13.141 6.818 1.00 0.73 H new ATOM 0 HA ASN A 33 -12.249 -15.058 5.756 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -14.498 -14.083 3.947 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -13.932 -15.737 4.064 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -16.560 -14.211 6.798 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -15.859 -13.225 5.510 1.00 2.33 H new ATOM 559 N GLY A 34 -11.004 -13.039 3.889 1.00 0.55 N ATOM 560 CA GLY A 34 -10.100 -12.773 2.791 1.00 0.52 C ATOM 561 C GLY A 34 -10.773 -12.030 1.654 1.00 0.48 C ATOM 562 O GLY A 34 -10.461 -12.255 0.485 1.00 0.62 O ATOM 0 H GLY A 34 -10.994 -12.340 4.632 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.255 -12.188 3.154 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -9.699 -13.715 2.418 1.00 0.52 H new ATOM 566 N LYS A 35 -11.706 -11.151 1.993 1.00 0.40 N ATOM 567 CA LYS A 35 -12.398 -10.355 0.989 1.00 0.40 C ATOM 568 C LYS A 35 -11.838 -8.940 0.949 1.00 0.28 C ATOM 569 O LYS A 35 -11.935 -8.253 -0.068 1.00 0.28 O ATOM 570 CB LYS A 35 -13.906 -10.308 1.268 1.00 0.52 C ATOM 571 CG LYS A 35 -14.561 -11.677 1.343 1.00 0.67 C ATOM 572 CD LYS A 35 -14.323 -12.483 0.080 1.00 0.85 C ATOM 573 CE LYS A 35 -14.817 -13.911 0.235 1.00 1.14 C ATOM 574 NZ LYS A 35 -14.435 -14.752 -0.929 1.00 1.60 N ATOM 0 H LYS A 35 -12.001 -10.971 2.953 1.00 0.40 H new ATOM 0 HA LYS A 35 -12.238 -10.829 0.021 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.075 -9.783 2.208 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.392 -9.726 0.485 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -14.168 -12.222 2.202 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.633 -11.559 1.503 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -14.833 -12.008 -0.758 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -13.259 -12.488 -0.156 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -14.404 -14.342 1.147 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -15.901 -13.911 0.345 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -14.789 -15.720 -0.789 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -14.850 -14.354 -1.796 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -13.399 -14.771 -1.018 1.00 1.60 H new ATOM 588 N VAL A 36 -11.256 -8.504 2.061 1.00 0.25 N ATOM 589 CA VAL A 36 -10.722 -7.157 2.152 1.00 0.19 C ATOM 590 C VAL A 36 -9.230 -7.160 2.468 1.00 0.16 C ATOM 591 O VAL A 36 -8.803 -7.747 3.444 1.00 0.22 O ATOM 592 CB VAL A 36 -11.481 -6.343 3.226 1.00 0.24 C ATOM 593 CG1 VAL A 36 -10.650 -5.167 3.713 1.00 0.31 C ATOM 594 CG2 VAL A 36 -12.821 -5.864 2.690 1.00 0.30 C ATOM 0 H VAL A 36 -11.144 -9.064 2.906 1.00 0.25 H new ATOM 0 HA VAL A 36 -10.861 -6.688 1.178 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.664 -7.001 4.076 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.210 -4.614 4.467 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -9.720 -5.534 4.148 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -10.424 -4.509 2.874 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.339 -5.294 3.461 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -12.659 -5.231 1.818 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.428 -6.724 2.406 1.00 0.30 H new ATOM 604 N MET A 37 -8.438 -6.499 1.645 1.00 0.15 N ATOM 605 CA MET A 37 -7.023 -6.336 1.932 1.00 0.18 C ATOM 606 C MET A 37 -6.813 -5.160 2.864 1.00 0.16 C ATOM 607 O MET A 37 -7.020 -4.011 2.487 1.00 0.17 O ATOM 608 CB MET A 37 -6.207 -6.136 0.651 1.00 0.24 C ATOM 609 CG MET A 37 -5.948 -7.415 -0.126 1.00 0.51 C ATOM 610 SD MET A 37 -4.873 -7.147 -1.548 1.00 1.03 S ATOM 611 CE MET A 37 -4.691 -8.819 -2.157 1.00 1.66 C ATOM 0 H MET A 37 -8.748 -6.067 0.775 1.00 0.15 H new ATOM 0 HA MET A 37 -6.675 -7.250 2.413 1.00 0.18 H new ATOM 0 HB2 MET A 37 -6.731 -5.431 0.005 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.251 -5.681 0.910 1.00 0.24 H new ATOM 0 HG2 MET A 37 -5.495 -8.153 0.535 1.00 0.51 H new ATOM 0 HG3 MET A 37 -6.897 -7.830 -0.464 1.00 0.51 H new ATOM 0 HE1 MET A 37 -4.757 -8.819 -3.245 1.00 1.66 H new ATOM 0 HE2 MET A 37 -3.722 -9.214 -1.852 1.00 1.66 H new ATOM 0 HE3 MET A 37 -5.483 -9.444 -1.745 1.00 1.66 H new ATOM 621 N ASP A 38 -6.429 -5.459 4.087 1.00 0.17 N ATOM 622 CA ASP A 38 -6.149 -4.429 5.068 1.00 0.18 C ATOM 623 C ASP A 38 -4.693 -4.028 4.968 1.00 0.18 C ATOM 624 O ASP A 38 -3.808 -4.777 5.374 1.00 0.20 O ATOM 625 CB ASP A 38 -6.458 -4.962 6.467 1.00 0.24 C ATOM 626 CG ASP A 38 -6.523 -3.881 7.539 1.00 0.32 C ATOM 627 OD1 ASP A 38 -5.912 -2.804 7.370 1.00 0.81 O ATOM 628 OD2 ASP A 38 -7.184 -4.123 8.572 1.00 0.97 O ATOM 0 H ASP A 38 -6.303 -6.412 4.428 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.772 -3.555 4.878 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.410 -5.492 6.441 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.695 -5.690 6.745 1.00 0.24 H new ATOM 633 N LEU A 39 -4.453 -2.852 4.419 1.00 0.18 N ATOM 634 CA LEU A 39 -3.101 -2.357 4.230 1.00 0.19 C ATOM 635 C LEU A 39 -2.623 -1.723 5.518 1.00 0.20 C ATOM 636 O LEU A 39 -3.018 -0.614 5.862 1.00 0.28 O ATOM 637 CB LEU A 39 -3.036 -1.356 3.069 1.00 0.20 C ATOM 638 CG LEU A 39 -3.032 -1.960 1.661 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.153 -2.969 1.470 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.139 -0.853 0.625 1.00 0.22 C ATOM 0 H LEU A 39 -5.182 -2.217 4.094 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.447 -3.191 3.974 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -3.887 -0.680 3.150 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.136 -0.752 3.186 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.090 -2.493 1.531 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.112 -3.371 0.458 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -4.038 -3.781 2.188 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.114 -2.479 1.627 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.136 -1.288 -0.374 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.066 -0.301 0.777 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.292 -0.175 0.728 1.00 0.22 H new ATOM 652 N VAL A 40 -1.773 -2.433 6.220 1.00 0.17 N ATOM 653 CA VAL A 40 -1.381 -2.056 7.558 1.00 0.20 C ATOM 654 C VAL A 40 0.086 -1.660 7.614 1.00 0.18 C ATOM 655 O VAL A 40 0.976 -2.501 7.493 1.00 0.23 O ATOM 656 CB VAL A 40 -1.641 -3.199 8.563 1.00 0.29 C ATOM 657 CG1 VAL A 40 -1.050 -2.882 9.927 1.00 0.84 C ATOM 658 CG2 VAL A 40 -3.129 -3.465 8.686 1.00 0.88 C ATOM 0 H VAL A 40 -1.333 -3.288 5.881 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.991 -1.196 7.835 1.00 0.20 H new ATOM 0 HB VAL A 40 -1.150 -4.095 8.183 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.251 -3.707 10.611 1.00 0.84 H new ATOM 0 HG12 VAL A 40 0.027 -2.742 9.833 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.502 -1.970 10.316 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -3.297 -4.273 9.398 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.632 -2.563 9.036 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -3.529 -3.750 7.713 1.00 0.88 H new ATOM 668 N HIS A 41 0.310 -0.364 7.757 1.00 0.16 N ATOM 669 CA HIS A 41 1.621 0.187 8.081 1.00 0.17 C ATOM 670 C HIS A 41 2.539 0.268 6.873 1.00 0.14 C ATOM 671 O HIS A 41 3.029 -0.741 6.367 1.00 0.17 O ATOM 672 CB HIS A 41 2.302 -0.600 9.205 1.00 0.22 C ATOM 673 CG HIS A 41 3.175 0.255 10.078 1.00 0.42 C ATOM 674 ND1 HIS A 41 3.245 0.110 11.445 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.022 1.268 9.768 1.00 0.56 C ATOM 676 CE1 HIS A 41 4.093 0.993 11.938 1.00 1.03 C ATOM 677 NE2 HIS A 41 4.582 1.708 10.941 1.00 0.67 N ATOM 0 H HIS A 41 -0.417 0.343 7.651 1.00 0.16 H new ATOM 0 HA HIS A 41 1.439 1.205 8.425 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.539 -1.077 9.820 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.904 -1.397 8.769 1.00 0.22 H new ATOM 0 HD2 HIS A 41 4.219 1.657 8.780 1.00 0.56 H new ATOM 0 HE1 HIS A 41 4.345 1.111 12.982 1.00 1.03 H new ATOM 0 HE2 HIS A 41 5.263 2.462 11.028 1.00 0.67 H new ATOM 686 N THR A 42 2.775 1.493 6.440 1.00 0.16 N ATOM 687 CA THR A 42 3.735 1.770 5.392 1.00 0.16 C ATOM 688 C THR A 42 5.090 2.124 6.016 1.00 0.20 C ATOM 689 O THR A 42 5.178 2.982 6.896 1.00 0.31 O ATOM 690 CB THR A 42 3.238 2.914 4.468 1.00 0.20 C ATOM 691 OG1 THR A 42 4.205 3.207 3.463 1.00 0.22 O ATOM 692 CG2 THR A 42 2.922 4.176 5.260 1.00 0.31 C ATOM 0 H THR A 42 2.306 2.322 6.806 1.00 0.16 H new ATOM 0 HA THR A 42 3.849 0.878 4.777 1.00 0.16 H new ATOM 0 HB THR A 42 2.320 2.569 3.992 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.790 3.132 2.578 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.577 4.955 4.580 1.00 0.31 H new ATOM 0 HG22 THR A 42 2.143 3.961 5.991 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.820 4.516 5.776 1.00 0.31 H new ATOM 700 N TYR A 43 6.130 1.417 5.602 1.00 0.22 N ATOM 701 CA TYR A 43 7.480 1.676 6.089 1.00 0.29 C ATOM 702 C TYR A 43 8.345 2.233 4.968 1.00 0.27 C ATOM 703 O TYR A 43 8.213 1.821 3.819 1.00 0.37 O ATOM 704 CB TYR A 43 8.127 0.393 6.620 1.00 0.45 C ATOM 705 CG TYR A 43 7.446 -0.214 7.825 1.00 0.74 C ATOM 706 CD1 TYR A 43 6.364 -1.072 7.681 1.00 1.15 C ATOM 707 CD2 TYR A 43 7.904 0.053 9.107 1.00 0.94 C ATOM 708 CE1 TYR A 43 5.757 -1.646 8.780 1.00 1.53 C ATOM 709 CE2 TYR A 43 7.302 -0.515 10.211 1.00 1.34 C ATOM 710 CZ TYR A 43 6.229 -1.364 10.042 1.00 1.58 C ATOM 711 OH TYR A 43 5.625 -1.929 11.139 1.00 2.02 O ATOM 0 H TYR A 43 6.066 0.655 4.927 1.00 0.22 H new ATOM 0 HA TYR A 43 7.407 2.402 6.899 1.00 0.29 H new ATOM 0 HB2 TYR A 43 8.143 -0.346 5.819 1.00 0.45 H new ATOM 0 HB3 TYR A 43 9.165 0.607 6.877 1.00 0.45 H new ATOM 0 HD1 TYR A 43 5.991 -1.294 6.692 1.00 1.15 H new ATOM 0 HD2 TYR A 43 8.745 0.716 9.243 1.00 0.94 H new ATOM 0 HE1 TYR A 43 4.917 -2.312 8.650 1.00 1.53 H new ATOM 0 HE2 TYR A 43 7.670 -0.296 11.203 1.00 1.34 H new ATOM 0 HH TYR A 43 4.792 -1.452 11.336 1.00 2.02 H new ATOM 721 N VAL A 44 9.226 3.160 5.306 1.00 0.25 N ATOM 722 CA VAL A 44 10.167 3.702 4.341 1.00 0.28 C ATOM 723 C VAL A 44 11.301 4.428 5.071 1.00 0.34 C ATOM 724 O VAL A 44 11.059 5.195 6.007 1.00 0.36 O ATOM 725 CB VAL A 44 9.466 4.646 3.327 1.00 0.33 C ATOM 726 CG1 VAL A 44 8.929 5.902 3.995 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.399 4.998 2.180 1.00 0.60 C ATOM 0 H VAL A 44 9.309 3.553 6.243 1.00 0.25 H new ATOM 0 HA VAL A 44 10.587 2.873 3.771 1.00 0.28 H new ATOM 0 HB VAL A 44 8.611 4.106 2.921 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.447 6.533 3.249 1.00 0.71 H new ATOM 0 HG12 VAL A 44 8.203 5.625 4.760 1.00 0.71 H new ATOM 0 HG13 VAL A 44 9.751 6.449 4.456 1.00 0.71 H new ATOM 0 HG21 VAL A 44 9.885 5.660 1.483 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.284 5.500 2.572 1.00 0.60 H new ATOM 0 HG23 VAL A 44 10.698 4.087 1.662 1.00 0.60 H new ATOM 737 N PRO A 45 12.559 4.160 4.684 1.00 0.41 N ATOM 738 CA PRO A 45 13.729 4.786 5.311 1.00 0.48 C ATOM 739 C PRO A 45 13.855 6.264 4.961 1.00 0.51 C ATOM 740 O PRO A 45 13.184 6.751 4.047 1.00 0.50 O ATOM 741 CB PRO A 45 14.901 4.002 4.721 1.00 0.61 C ATOM 742 CG PRO A 45 14.400 3.526 3.405 1.00 0.79 C ATOM 743 CD PRO A 45 12.946 3.221 3.617 1.00 0.48 C ATOM 0 HA PRO A 45 13.675 4.754 6.399 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.783 4.632 4.606 1.00 0.61 H new ATOM 0 HB3 PRO A 45 15.185 3.169 5.363 1.00 0.61 H new ATOM 0 HG2 PRO A 45 14.533 4.287 2.636 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.943 2.640 3.075 1.00 0.79 H new ATOM 0 HD2 PRO A 45 12.364 3.381 2.709 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.791 2.184 3.917 1.00 0.48 H new ATOM 751 N SER A 46 14.749 6.958 5.654 1.00 0.63 N ATOM 752 CA SER A 46 14.950 8.390 5.450 1.00 0.77 C ATOM 753 C SER A 46 15.412 8.680 4.024 1.00 0.80 C ATOM 754 O SER A 46 15.248 9.786 3.515 1.00 0.94 O ATOM 755 CB SER A 46 15.968 8.921 6.459 1.00 0.91 C ATOM 756 OG SER A 46 15.554 8.630 7.783 1.00 1.39 O ATOM 0 H SER A 46 15.352 6.550 6.368 1.00 0.63 H new ATOM 0 HA SER A 46 13.998 8.898 5.604 1.00 0.77 H new ATOM 0 HB2 SER A 46 16.944 8.473 6.270 1.00 0.91 H new ATOM 0 HB3 SER A 46 16.083 9.998 6.336 1.00 0.91 H new ATOM 0 HG SER A 46 16.217 8.975 8.416 1.00 1.39 H new ATOM 762 N PHE A 47 15.970 7.664 3.385 1.00 0.75 N ATOM 763 CA PHE A 47 16.435 7.772 2.011 1.00 0.80 C ATOM 764 C PHE A 47 15.283 8.061 1.045 1.00 0.73 C ATOM 765 O PHE A 47 15.462 8.738 0.036 1.00 0.82 O ATOM 766 CB PHE A 47 17.113 6.470 1.597 1.00 0.83 C ATOM 767 CG PHE A 47 18.302 6.104 2.439 1.00 1.39 C ATOM 768 CD1 PHE A 47 19.512 6.757 2.270 1.00 1.61 C ATOM 769 CD2 PHE A 47 18.209 5.113 3.403 1.00 2.13 C ATOM 770 CE1 PHE A 47 20.606 6.429 3.046 1.00 2.39 C ATOM 771 CE2 PHE A 47 19.299 4.781 4.182 1.00 3.04 C ATOM 772 CZ PHE A 47 20.502 5.416 3.988 1.00 3.12 C ATOM 0 H PHE A 47 16.113 6.744 3.802 1.00 0.75 H new ATOM 0 HA PHE A 47 17.140 8.602 1.964 1.00 0.80 H new ATOM 0 HB2 PHE A 47 16.384 5.661 1.646 1.00 0.83 H new ATOM 0 HB3 PHE A 47 17.429 6.552 0.557 1.00 0.83 H new ATOM 0 HD1 PHE A 47 19.601 7.532 1.523 1.00 1.61 H new ATOM 0 HD2 PHE A 47 17.273 4.594 3.547 1.00 2.13 H new ATOM 0 HE1 PHE A 47 21.539 6.959 2.920 1.00 2.39 H new ATOM 0 HE2 PHE A 47 19.206 4.022 4.944 1.00 3.04 H new ATOM 0 HZ PHE A 47 21.366 5.127 4.568 1.00 3.12 H new ATOM 782 N LYS A 48 14.103 7.538 1.356 1.00 0.61 N ATOM 783 CA LYS A 48 12.969 7.633 0.443 1.00 0.60 C ATOM 784 C LYS A 48 11.698 8.062 1.167 1.00 0.64 C ATOM 785 O LYS A 48 10.593 7.927 0.634 1.00 0.78 O ATOM 786 CB LYS A 48 12.747 6.288 -0.261 1.00 0.55 C ATOM 787 CG LYS A 48 13.838 5.939 -1.264 1.00 0.76 C ATOM 788 CD LYS A 48 13.650 4.545 -1.849 1.00 0.81 C ATOM 789 CE LYS A 48 13.949 3.461 -0.825 1.00 0.97 C ATOM 790 NZ LYS A 48 15.347 3.552 -0.315 1.00 1.19 N ATOM 0 H LYS A 48 13.906 7.046 2.228 1.00 0.61 H new ATOM 0 HA LYS A 48 13.202 8.397 -0.299 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.689 5.500 0.489 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.786 6.310 -0.775 1.00 0.55 H new ATOM 0 HG2 LYS A 48 13.838 6.673 -2.070 1.00 0.76 H new ATOM 0 HG3 LYS A 48 14.811 6.000 -0.777 1.00 0.76 H new ATOM 0 HD2 LYS A 48 12.626 4.435 -2.207 1.00 0.81 H new ATOM 0 HD3 LYS A 48 14.304 4.421 -2.712 1.00 0.81 H new ATOM 0 HE2 LYS A 48 13.252 3.546 0.008 1.00 0.97 H new ATOM 0 HE3 LYS A 48 13.789 2.481 -1.275 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 15.502 2.818 0.405 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 16.013 3.412 -1.101 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.502 4.490 0.107 1.00 1.19 H new ATOM 804 N ARG A 49 11.852 8.586 2.375 1.00 0.73 N ATOM 805 CA ARG A 49 10.708 9.045 3.149 1.00 0.84 C ATOM 806 C ARG A 49 10.138 10.315 2.528 1.00 0.91 C ATOM 807 O ARG A 49 10.872 11.255 2.227 1.00 1.75 O ATOM 808 CB ARG A 49 11.089 9.282 4.617 1.00 1.03 C ATOM 809 CG ARG A 49 12.139 10.362 4.820 1.00 1.35 C ATOM 810 CD ARG A 49 12.428 10.597 6.297 1.00 1.45 C ATOM 811 NE ARG A 49 11.218 10.901 7.068 1.00 1.92 N ATOM 812 CZ ARG A 49 11.184 11.756 8.092 1.00 2.48 C ATOM 813 NH1 ARG A 49 12.257 12.473 8.398 1.00 2.70 N ATOM 814 NH2 ARG A 49 10.067 11.916 8.792 1.00 3.23 N ATOM 0 H ARG A 49 12.753 8.703 2.838 1.00 0.73 H new ATOM 0 HA ARG A 49 9.944 8.267 3.129 1.00 0.84 H new ATOM 0 HB2 ARG A 49 10.192 9.553 5.175 1.00 1.03 H new ATOM 0 HB3 ARG A 49 11.458 8.348 5.041 1.00 1.03 H new ATOM 0 HG2 ARG A 49 13.059 10.075 4.310 1.00 1.35 H new ATOM 0 HG3 ARG A 49 11.798 11.291 4.364 1.00 1.35 H new ATOM 0 HD2 ARG A 49 12.907 9.712 6.715 1.00 1.45 H new ATOM 0 HD3 ARG A 49 13.135 11.420 6.398 1.00 1.45 H new ATOM 0 HE ARG A 49 10.351 10.431 6.806 1.00 1.92 H new ATOM 0 HH11 ARG A 49 13.111 12.372 7.850 1.00 2.70 H new ATOM 0 HH12 ARG A 49 12.228 13.126 9.181 1.00 2.70 H new ATOM 0 HH21 ARG A 49 9.231 11.384 8.548 1.00 3.23 H new ATOM 0 HH22 ARG A 49 10.045 12.570 9.574 1.00 3.23 H new ATOM 828 N GLY A 50 8.832 10.317 2.300 1.00 1.00 N ATOM 829 CA GLY A 50 8.185 11.459 1.677 1.00 1.07 C ATOM 830 C GLY A 50 8.473 11.558 0.189 1.00 0.98 C ATOM 831 O GLY A 50 8.055 12.507 -0.469 1.00 1.12 O ATOM 0 H GLY A 50 8.206 9.547 2.535 1.00 1.00 H new ATOM 0 HA2 GLY A 50 7.108 11.389 1.830 1.00 1.07 H new ATOM 0 HA3 GLY A 50 8.518 12.373 2.169 1.00 1.07 H new ATOM 835 N LEU A 51 9.184 10.573 -0.345 1.00 0.81 N ATOM 836 CA LEU A 51 9.538 10.568 -1.759 1.00 0.81 C ATOM 837 C LEU A 51 8.413 9.973 -2.587 1.00 0.71 C ATOM 838 O LEU A 51 8.370 10.136 -3.807 1.00 0.88 O ATOM 839 CB LEU A 51 10.820 9.763 -1.985 1.00 0.82 C ATOM 840 CG LEU A 51 11.438 9.886 -3.380 1.00 1.11 C ATOM 841 CD1 LEU A 51 11.832 11.328 -3.669 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.646 8.969 -3.510 1.00 1.95 C ATOM 0 H LEU A 51 9.527 9.768 0.179 1.00 0.81 H new ATOM 0 HA LEU A 51 9.703 11.599 -2.071 1.00 0.81 H new ATOM 0 HB2 LEU A 51 11.560 10.078 -1.250 1.00 0.82 H new ATOM 0 HB3 LEU A 51 10.607 8.712 -1.793 1.00 0.82 H new ATOM 0 HG LEU A 51 10.691 9.581 -4.113 1.00 1.11 H new ATOM 0 HD11 LEU A 51 12.269 11.393 -4.665 1.00 1.46 H new ATOM 0 HD12 LEU A 51 10.948 11.964 -3.618 1.00 1.46 H new ATOM 0 HD13 LEU A 51 12.561 11.661 -2.930 1.00 1.46 H new ATOM 0 HD21 LEU A 51 13.073 9.069 -4.508 1.00 1.95 H new ATOM 0 HD22 LEU A 51 13.394 9.244 -2.766 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.338 7.936 -3.349 1.00 1.95 H new ATOM 854 N GLY A 52 7.500 9.276 -1.924 1.00 0.52 N ATOM 855 CA GLY A 52 6.419 8.639 -2.640 1.00 0.43 C ATOM 856 C GLY A 52 6.422 7.134 -2.479 1.00 0.32 C ATOM 857 O GLY A 52 5.380 6.491 -2.589 1.00 0.28 O ATOM 0 H GLY A 52 7.490 9.142 -0.913 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.468 9.037 -2.285 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.493 8.888 -3.699 1.00 0.43 H new ATOM 861 N LEU A 53 7.603 6.574 -2.229 1.00 0.31 N ATOM 862 CA LEU A 53 7.785 5.124 -2.150 1.00 0.27 C ATOM 863 C LEU A 53 6.813 4.491 -1.153 1.00 0.20 C ATOM 864 O LEU A 53 6.196 3.467 -1.448 1.00 0.20 O ATOM 865 CB LEU A 53 9.235 4.805 -1.765 1.00 0.29 C ATOM 866 CG LEU A 53 9.669 3.340 -1.939 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.244 2.492 -0.752 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.090 2.762 -3.222 1.00 0.67 C ATOM 0 H LEU A 53 8.458 7.108 -2.076 1.00 0.31 H new ATOM 0 HA LEU A 53 7.571 4.698 -3.130 1.00 0.27 H new ATOM 0 HB2 LEU A 53 9.896 5.433 -2.363 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.384 5.087 -0.723 1.00 0.29 H new ATOM 0 HG LEU A 53 10.757 3.323 -1.998 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.566 1.462 -0.907 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.702 2.883 0.157 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.159 2.522 -0.653 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.407 1.725 -3.329 1.00 0.67 H new ATOM 0 HD22 LEU A 53 8.002 2.806 -3.182 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.446 3.340 -4.075 1.00 0.67 H new ATOM 880 N ALA A 54 6.678 5.108 0.013 1.00 0.19 N ATOM 881 CA ALA A 54 5.769 4.617 1.043 1.00 0.17 C ATOM 882 C ALA A 54 4.350 4.481 0.493 1.00 0.15 C ATOM 883 O ALA A 54 3.649 3.498 0.747 1.00 0.15 O ATOM 884 CB ALA A 54 5.787 5.560 2.237 1.00 0.24 C ATOM 0 H ALA A 54 7.188 5.953 0.271 1.00 0.19 H new ATOM 0 HA ALA A 54 6.103 3.630 1.363 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.107 5.189 3.004 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.797 5.613 2.643 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.470 6.554 1.921 1.00 0.24 H new ATOM 890 N SER A 55 3.946 5.476 -0.269 1.00 0.17 N ATOM 891 CA SER A 55 2.640 5.493 -0.897 1.00 0.21 C ATOM 892 C SER A 55 2.568 4.472 -2.040 1.00 0.21 C ATOM 893 O SER A 55 1.516 3.890 -2.297 1.00 0.25 O ATOM 894 CB SER A 55 2.359 6.906 -1.406 1.00 0.28 C ATOM 895 OG SER A 55 2.690 7.875 -0.417 1.00 1.08 O ATOM 0 H SER A 55 4.515 6.298 -0.471 1.00 0.17 H new ATOM 0 HA SER A 55 1.881 5.213 -0.167 1.00 0.21 H new ATOM 0 HB2 SER A 55 2.936 7.093 -2.312 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.306 6.998 -1.674 1.00 0.28 H new ATOM 0 HG SER A 55 2.504 8.773 -0.764 1.00 1.08 H new ATOM 901 N HIS A 56 3.699 4.244 -2.708 1.00 0.21 N ATOM 902 CA HIS A 56 3.777 3.231 -3.763 1.00 0.23 C ATOM 903 C HIS A 56 3.544 1.842 -3.194 1.00 0.20 C ATOM 904 O HIS A 56 3.001 0.972 -3.870 1.00 0.23 O ATOM 905 CB HIS A 56 5.131 3.256 -4.479 1.00 0.29 C ATOM 906 CG HIS A 56 5.193 4.196 -5.641 1.00 0.45 C ATOM 907 ND1 HIS A 56 4.966 3.792 -6.937 1.00 0.79 N ATOM 908 CD2 HIS A 56 5.472 5.518 -5.703 1.00 0.70 C ATOM 909 CE1 HIS A 56 5.105 4.825 -7.746 1.00 0.99 C ATOM 910 NE2 HIS A 56 5.413 5.887 -7.024 1.00 0.93 N ATOM 0 H HIS A 56 4.571 4.745 -2.539 1.00 0.21 H new ATOM 0 HA HIS A 56 2.997 3.469 -4.486 1.00 0.23 H new ATOM 0 HB2 HIS A 56 5.904 3.532 -3.761 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.364 2.250 -4.827 1.00 0.29 H new ATOM 0 HD2 HIS A 56 5.699 6.164 -4.868 1.00 0.70 H new ATOM 0 HE1 HIS A 56 4.987 4.805 -8.819 1.00 0.99 H new ATOM 0 HE2 HIS A 56 5.579 6.825 -7.387 1.00 0.93 H new ATOM 919 N LEU A 57 3.962 1.639 -1.950 1.00 0.15 N ATOM 920 CA LEU A 57 3.745 0.367 -1.274 1.00 0.13 C ATOM 921 C LEU A 57 2.255 0.140 -1.077 1.00 0.13 C ATOM 922 O LEU A 57 1.755 -0.976 -1.219 1.00 0.15 O ATOM 923 CB LEU A 57 4.468 0.347 0.074 1.00 0.14 C ATOM 924 CG LEU A 57 5.984 0.500 -0.004 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.560 0.732 1.377 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.611 -0.732 -0.636 1.00 0.22 C ATOM 0 H LEU A 57 4.452 2.337 -1.391 1.00 0.15 H new ATOM 0 HA LEU A 57 4.150 -0.435 -1.891 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.069 1.149 0.695 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.238 -0.592 0.578 1.00 0.14 H new ATOM 0 HG LEU A 57 6.213 1.364 -0.628 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.642 0.839 1.306 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.132 1.640 1.802 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.321 -0.116 2.018 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.693 -0.606 -0.684 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.374 -1.610 -0.035 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.216 -0.865 -1.643 1.00 0.22 H new ATOM 938 N CYS A 58 1.547 1.216 -0.759 1.00 0.16 N ATOM 939 CA CYS A 58 0.099 1.157 -0.627 1.00 0.19 C ATOM 940 C CYS A 58 -0.537 0.849 -1.980 1.00 0.19 C ATOM 941 O CYS A 58 -1.469 0.049 -2.075 1.00 0.20 O ATOM 942 CB CYS A 58 -0.434 2.478 -0.076 1.00 0.23 C ATOM 943 SG CYS A 58 -2.208 2.490 0.259 1.00 0.27 S ATOM 0 H CYS A 58 1.951 2.137 -0.588 1.00 0.16 H new ATOM 0 HA CYS A 58 -0.161 0.361 0.071 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.098 2.714 0.846 1.00 0.23 H new ATOM 0 HB3 CYS A 58 -0.206 3.272 -0.787 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.859 2.241 -0.839 1.00 0.27 H new ATOM 949 N VAL A 59 -0.012 1.481 -3.024 1.00 0.19 N ATOM 950 CA VAL A 59 -0.476 1.252 -4.387 1.00 0.22 C ATOM 951 C VAL A 59 -0.210 -0.189 -4.818 1.00 0.20 C ATOM 952 O VAL A 59 -0.991 -0.779 -5.562 1.00 0.22 O ATOM 953 CB VAL A 59 0.206 2.227 -5.374 1.00 0.25 C ATOM 954 CG1 VAL A 59 -0.156 1.906 -6.815 1.00 0.29 C ATOM 955 CG2 VAL A 59 -0.171 3.661 -5.041 1.00 0.29 C ATOM 0 H VAL A 59 0.743 2.163 -2.950 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.551 1.431 -4.403 1.00 0.22 H new ATOM 0 HB VAL A 59 1.284 2.109 -5.269 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.341 2.611 -7.481 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.166 0.893 -7.054 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -1.235 1.984 -6.945 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.316 4.338 -5.743 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -1.252 3.779 -5.113 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.153 3.896 -4.027 1.00 0.29 H new ATOM 965 N ALA A 60 0.885 -0.754 -4.325 1.00 0.18 N ATOM 966 CA ALA A 60 1.248 -2.130 -4.635 1.00 0.21 C ATOM 967 C ALA A 60 0.138 -3.096 -4.230 1.00 0.17 C ATOM 968 O ALA A 60 -0.204 -4.007 -4.987 1.00 0.17 O ATOM 969 CB ALA A 60 2.560 -2.501 -3.957 1.00 0.28 C ATOM 0 H ALA A 60 1.540 -0.277 -3.705 1.00 0.18 H new ATOM 0 HA ALA A 60 1.382 -2.210 -5.714 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.816 -3.532 -4.199 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.351 -1.839 -4.308 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.453 -2.398 -2.877 1.00 0.28 H new ATOM 975 N ALA A 61 -0.440 -2.893 -3.048 1.00 0.16 N ATOM 976 CA ALA A 61 -1.536 -3.740 -2.602 1.00 0.16 C ATOM 977 C ALA A 61 -2.782 -3.470 -3.432 1.00 0.14 C ATOM 978 O ALA A 61 -3.549 -4.386 -3.725 1.00 0.15 O ATOM 979 CB ALA A 61 -1.809 -3.519 -1.128 1.00 0.20 C ATOM 0 H ALA A 61 -0.170 -2.160 -2.392 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.252 -4.783 -2.741 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.631 -4.160 -0.810 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.916 -3.762 -0.552 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -2.076 -2.476 -0.960 1.00 0.20 H new ATOM 985 N PHE A 62 -2.962 -2.211 -3.831 1.00 0.14 N ATOM 986 CA PHE A 62 -4.068 -1.832 -4.703 1.00 0.15 C ATOM 987 C PHE A 62 -4.000 -2.597 -6.019 1.00 0.15 C ATOM 988 O PHE A 62 -4.994 -3.171 -6.464 1.00 0.16 O ATOM 989 CB PHE A 62 -4.054 -0.331 -5.003 1.00 0.17 C ATOM 990 CG PHE A 62 -4.513 0.547 -3.873 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.657 0.234 -3.154 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.790 1.669 -3.515 1.00 0.20 C ATOM 993 CE1 PHE A 62 -6.071 1.030 -2.101 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.200 2.470 -2.465 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.384 2.190 -1.808 1.00 0.24 C ATOM 0 H PHE A 62 -2.354 -1.437 -3.563 1.00 0.14 H new ATOM 0 HA PHE A 62 -4.991 -2.080 -4.178 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -3.041 -0.041 -5.280 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.688 -0.143 -5.870 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.231 -0.641 -3.419 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.894 1.923 -4.062 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -6.929 0.744 -1.510 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.597 3.312 -2.159 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.769 2.876 -1.069 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.819 -2.594 -6.635 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.586 -3.312 -7.886 1.00 0.19 C ATOM 1007 C GLU A 63 -2.934 -4.790 -7.737 1.00 0.19 C ATOM 1008 O GLU A 63 -3.443 -5.419 -8.665 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.121 -3.167 -8.307 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.719 -1.743 -8.661 1.00 0.29 C ATOM 1011 CD GLU A 63 -1.179 -1.334 -10.045 1.00 1.16 C ATOM 1012 OE1 GLU A 63 -2.401 -1.210 -10.268 1.00 1.98 O ATOM 1013 OE2 GLU A 63 -0.314 -1.145 -10.925 1.00 1.58 O ATOM 0 H GLU A 63 -2.001 -2.097 -6.283 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.229 -2.880 -8.653 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.484 -3.523 -7.498 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -0.935 -3.811 -9.167 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.139 -1.057 -7.925 1.00 0.29 H new ATOM 0 HG3 GLU A 63 0.365 -1.650 -8.600 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.674 -5.329 -6.555 1.00 0.17 N ATOM 1021 CA HIS A 64 -2.941 -6.733 -6.270 1.00 0.19 C ATOM 1022 C HIS A 64 -4.431 -6.984 -6.116 1.00 0.19 C ATOM 1023 O HIS A 64 -5.000 -7.852 -6.787 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.196 -7.162 -5.004 1.00 0.20 C ATOM 1025 CG HIS A 64 -0.767 -7.542 -5.266 1.00 0.58 C ATOM 1026 ND1 HIS A 64 0.225 -6.628 -5.550 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -0.177 -8.760 -5.326 1.00 1.13 C ATOM 1028 CE1 HIS A 64 1.357 -7.267 -5.778 1.00 1.68 C ATOM 1029 NE2 HIS A 64 1.143 -8.561 -5.648 1.00 1.33 N ATOM 0 H HIS A 64 -2.275 -4.811 -5.772 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.584 -7.327 -7.111 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -2.223 -6.348 -4.279 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.715 -8.008 -4.553 1.00 0.20 H new ATOM 0 HD1 HIS A 64 0.103 -5.616 -5.579 1.00 1.50 H new ATOM 0 HD2 HIS A 64 -0.656 -9.712 -5.153 1.00 1.13 H new ATOM 0 HE1 HIS A 64 2.301 -6.806 -6.029 1.00 1.68 H new ATOM 1038 N ALA A 65 -5.061 -6.209 -5.249 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.475 -6.365 -4.977 1.00 0.16 C ATOM 1040 C ALA A 65 -7.301 -6.135 -6.228 1.00 0.15 C ATOM 1041 O ALA A 65 -8.102 -6.984 -6.601 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.914 -5.420 -3.884 1.00 0.20 C ATOM 0 H ALA A 65 -4.610 -5.462 -4.720 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.638 -7.390 -4.643 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -7.979 -5.553 -3.694 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.354 -5.632 -2.973 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.726 -4.392 -4.194 1.00 0.20 H new ATOM 1048 N SER A 66 -7.093 -4.997 -6.881 1.00 0.16 N ATOM 1049 CA SER A 66 -7.826 -4.671 -8.108 1.00 0.20 C ATOM 1050 C SER A 66 -7.764 -5.808 -9.138 1.00 0.24 C ATOM 1051 O SER A 66 -8.767 -6.123 -9.780 1.00 0.31 O ATOM 1052 CB SER A 66 -7.269 -3.394 -8.739 1.00 0.24 C ATOM 1053 OG SER A 66 -7.182 -2.346 -7.794 1.00 1.21 O ATOM 0 H SER A 66 -6.426 -4.284 -6.586 1.00 0.16 H new ATOM 0 HA SER A 66 -8.868 -4.524 -7.824 1.00 0.20 H new ATOM 0 HB2 SER A 66 -6.282 -3.593 -9.155 1.00 0.24 H new ATOM 0 HB3 SER A 66 -7.908 -3.087 -9.567 1.00 0.24 H new ATOM 0 HG SER A 66 -6.323 -2.399 -7.325 1.00 1.21 H new ATOM 1059 N SER A 67 -6.601 -6.436 -9.277 1.00 0.25 N ATOM 1060 CA SER A 67 -6.422 -7.505 -10.256 1.00 0.33 C ATOM 1061 C SER A 67 -7.200 -8.762 -9.867 1.00 0.34 C ATOM 1062 O SER A 67 -7.507 -9.603 -10.713 1.00 0.44 O ATOM 1063 CB SER A 67 -4.936 -7.833 -10.413 1.00 0.39 C ATOM 1064 OG SER A 67 -4.214 -6.693 -10.850 1.00 1.20 O ATOM 0 H SER A 67 -5.769 -6.225 -8.726 1.00 0.25 H new ATOM 0 HA SER A 67 -6.816 -7.152 -11.209 1.00 0.33 H new ATOM 0 HB2 SER A 67 -4.533 -8.182 -9.462 1.00 0.39 H new ATOM 0 HB3 SER A 67 -4.811 -8.645 -11.129 1.00 0.39 H new ATOM 0 HG SER A 67 -3.989 -6.133 -10.078 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.518 -8.886 -8.587 1.00 0.29 N ATOM 1071 CA HIS A 68 -8.266 -10.035 -8.094 1.00 0.35 C ATOM 1072 C HIS A 68 -9.667 -9.597 -7.654 1.00 0.37 C ATOM 1073 O HIS A 68 -10.386 -10.349 -6.994 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.513 -10.679 -6.924 1.00 0.37 C ATOM 1075 CG HIS A 68 -7.872 -12.114 -6.668 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -9.067 -12.510 -6.111 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -7.172 -13.248 -6.889 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -9.085 -13.824 -5.998 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -7.945 -14.299 -6.466 1.00 0.82 N ATOM 0 H HIS A 68 -7.270 -8.205 -7.870 1.00 0.29 H new ATOM 0 HA HIS A 68 -8.367 -10.769 -8.893 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.442 -10.614 -7.118 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.709 -10.102 -6.020 1.00 0.37 H new ATOM 0 HD1 HIS A 68 -9.822 -11.884 -5.829 1.00 1.25 H new ATOM 0 HD2 HIS A 68 -6.184 -13.315 -7.320 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -9.895 -14.412 -5.592 1.00 1.03 H new ATOM 1088 N SER A 69 -10.037 -8.367 -8.024 1.00 0.33 N ATOM 1089 CA SER A 69 -11.326 -7.786 -7.641 1.00 0.37 C ATOM 1090 C SER A 69 -11.502 -7.784 -6.120 1.00 0.34 C ATOM 1091 O SER A 69 -12.615 -7.907 -5.607 1.00 0.54 O ATOM 1092 CB SER A 69 -12.472 -8.544 -8.315 1.00 0.47 C ATOM 1093 OG SER A 69 -12.401 -8.420 -9.729 1.00 1.12 O ATOM 0 H SER A 69 -9.456 -7.751 -8.593 1.00 0.33 H new ATOM 0 HA SER A 69 -11.345 -6.750 -7.980 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.430 -9.597 -8.036 1.00 0.47 H new ATOM 0 HB3 SER A 69 -13.427 -8.158 -7.960 1.00 0.47 H new ATOM 0 HG SER A 69 -13.142 -8.914 -10.138 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.398 -7.624 -5.408 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.418 -7.617 -3.957 1.00 0.21 C ATOM 1101 C ILE A 70 -10.646 -6.199 -3.434 1.00 0.19 C ATOM 1102 O ILE A 70 -10.188 -5.230 -4.036 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.102 -8.210 -3.374 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -8.943 -9.663 -3.828 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.093 -8.132 -1.852 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -7.681 -10.326 -3.323 1.00 0.36 C ATOM 0 H ILE A 70 -9.472 -7.497 -5.816 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.244 -8.247 -3.628 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.264 -7.621 -3.747 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -9.805 -10.237 -3.487 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -8.949 -9.696 -4.917 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.162 -8.553 -1.472 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.174 -7.091 -1.541 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -9.936 -8.696 -1.454 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.639 -11.353 -3.686 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -6.812 -9.777 -3.685 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -7.681 -10.326 -2.233 1.00 0.36 H new ATOM 1118 N SER A 71 -11.369 -6.083 -2.331 1.00 0.19 N ATOM 1119 CA SER A 71 -11.617 -4.790 -1.722 1.00 0.19 C ATOM 1120 C SER A 71 -10.524 -4.515 -0.698 1.00 0.17 C ATOM 1121 O SER A 71 -9.848 -5.439 -0.262 1.00 0.19 O ATOM 1122 CB SER A 71 -12.998 -4.776 -1.063 1.00 0.23 C ATOM 1123 OG SER A 71 -14.011 -5.110 -2.002 1.00 1.01 O ATOM 0 H SER A 71 -11.794 -6.870 -1.841 1.00 0.19 H new ATOM 0 HA SER A 71 -11.602 -4.009 -2.482 1.00 0.19 H new ATOM 0 HB2 SER A 71 -13.017 -5.484 -0.234 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.196 -3.789 -0.644 1.00 0.23 H new ATOM 0 HG SER A 71 -14.885 -5.097 -1.559 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.339 -3.262 -0.320 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.199 -2.889 0.504 1.00 0.14 C ATOM 1131 C ILE A 72 -9.602 -1.928 1.631 1.00 0.14 C ATOM 1132 O ILE A 72 -10.584 -1.195 1.527 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.075 -2.257 -0.375 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.417 -3.318 -1.267 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -7.021 -1.544 0.461 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.100 -2.873 -1.868 1.00 0.20 C ATOM 0 H ILE A 72 -10.958 -2.490 -0.567 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.817 -3.798 0.968 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.553 -1.509 -1.008 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.252 -4.222 -0.681 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.104 -3.581 -2.072 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.261 -1.121 -0.196 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.491 -0.745 1.034 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.556 -2.255 1.144 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.693 -3.673 -2.486 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.261 -1.987 -2.482 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.396 -2.638 -1.069 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.839 -1.980 2.715 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.950 -1.054 3.832 1.00 0.13 C ATOM 1150 C ILE A 73 -7.547 -0.627 4.232 1.00 0.13 C ATOM 1151 O ILE A 73 -6.765 -1.432 4.724 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.651 -1.698 5.056 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.137 -1.938 4.770 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.470 -0.839 6.307 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.914 -0.674 4.477 1.00 0.24 C ATOM 0 H ILE A 73 -8.111 -2.682 2.844 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.554 -0.203 3.517 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.181 -2.664 5.241 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.229 -2.615 3.921 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.586 -2.439 5.628 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -9.971 -1.314 7.150 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.407 -0.737 6.527 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.902 0.147 6.137 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.957 -0.925 4.285 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.854 -0.003 5.334 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.492 -0.182 3.601 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.184 0.627 3.983 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.844 1.105 4.230 1.00 0.18 C ATOM 1169 C PRO A 74 -5.656 1.725 5.614 1.00 0.17 C ATOM 1170 O PRO A 74 -6.104 2.841 5.874 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.655 2.153 3.130 1.00 0.23 C ATOM 1172 CG PRO A 74 -7.036 2.530 2.659 1.00 0.31 C ATOM 1173 CD PRO A 74 -8.024 1.679 3.419 1.00 0.23 C ATOM 0 HA PRO A 74 -5.116 0.294 4.213 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -5.123 3.025 3.512 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -5.061 1.751 2.309 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -7.226 3.589 2.837 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -7.133 2.364 1.586 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.534 2.249 4.196 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.795 1.273 2.764 1.00 0.23 H new ATOM 1181 N SER A 75 -4.996 0.983 6.500 1.00 0.16 N ATOM 1182 CA SER A 75 -4.514 1.521 7.769 1.00 0.17 C ATOM 1183 C SER A 75 -3.283 2.395 7.496 1.00 0.16 C ATOM 1184 O SER A 75 -2.831 3.173 8.333 1.00 0.20 O ATOM 1185 CB SER A 75 -4.167 0.375 8.727 1.00 0.20 C ATOM 1186 OG SER A 75 -5.273 -0.500 8.911 1.00 1.19 O ATOM 0 H SER A 75 -4.781 -0.004 6.359 1.00 0.16 H new ATOM 0 HA SER A 75 -5.289 2.127 8.238 1.00 0.17 H new ATOM 0 HB2 SER A 75 -3.319 -0.186 8.334 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.860 0.784 9.690 1.00 0.20 H new ATOM 0 HG SER A 75 -5.237 -1.218 8.245 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.765 2.230 6.284 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.727 3.076 5.690 1.00 0.17 C ATOM 1194 C CYS A 76 -2.216 4.510 5.450 1.00 0.16 C ATOM 1195 O CYS A 76 -1.615 5.235 4.667 1.00 0.20 O ATOM 1196 CB CYS A 76 -1.187 2.459 4.394 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.563 0.780 4.607 1.00 0.90 S ATOM 0 H CYS A 76 -3.064 1.478 5.663 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.911 3.130 6.410 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -1.979 2.452 3.646 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.387 3.090 4.006 1.00 0.25 H new ATOM 0 HG CYS A 76 0.727 0.813 4.761 1.00 0.90 H new ATOM 1203 N SER A 77 -3.354 4.865 6.062 1.00 0.20 N ATOM 1204 CA SER A 77 -4.140 6.066 5.741 1.00 0.25 C ATOM 1205 C SER A 77 -3.331 7.374 5.643 1.00 0.24 C ATOM 1206 O SER A 77 -3.885 8.395 5.233 1.00 0.26 O ATOM 1207 CB SER A 77 -5.217 6.249 6.808 1.00 0.34 C ATOM 1208 OG SER A 77 -5.690 4.997 7.277 1.00 0.71 O ATOM 0 H SER A 77 -3.765 4.311 6.814 1.00 0.20 H new ATOM 0 HA SER A 77 -4.552 5.889 4.748 1.00 0.25 H new ATOM 0 HB2 SER A 77 -4.813 6.824 7.641 1.00 0.34 H new ATOM 0 HB3 SER A 77 -6.047 6.824 6.397 1.00 0.34 H new ATOM 0 HG SER A 77 -5.781 4.378 6.523 1.00 0.71 H new ATOM 1214 N TYR A 78 -2.053 7.372 6.011 1.00 0.23 N ATOM 1215 CA TYR A 78 -1.175 8.479 5.641 1.00 0.24 C ATOM 1216 C TYR A 78 -1.190 8.608 4.118 1.00 0.20 C ATOM 1217 O TYR A 78 -1.439 9.686 3.571 1.00 0.21 O ATOM 1218 CB TYR A 78 0.265 8.248 6.149 1.00 0.27 C ATOM 1219 CG TYR A 78 1.338 8.551 5.115 1.00 0.24 C ATOM 1220 CD1 TYR A 78 1.708 9.857 4.817 1.00 0.24 C ATOM 1221 CD2 TYR A 78 1.954 7.522 4.415 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.659 10.126 3.849 1.00 0.25 C ATOM 1223 CE2 TYR A 78 2.908 7.780 3.450 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.255 9.084 3.167 1.00 0.25 C ATOM 1225 OH TYR A 78 4.192 9.347 2.193 1.00 0.30 O ATOM 0 H TYR A 78 -1.608 6.632 6.554 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.534 9.398 6.104 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.434 8.871 7.027 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.365 7.211 6.469 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.246 10.675 5.350 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.682 6.499 4.629 1.00 0.26 H new ATOM 0 HE1 TYR A 78 2.934 11.147 3.628 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.379 6.965 2.920 1.00 0.27 H new ATOM 0 HH TYR A 78 3.885 8.983 1.337 1.00 0.30 H new ATOM 1235 N VAL A 79 -0.953 7.478 3.453 1.00 0.18 N ATOM 1236 CA VAL A 79 -1.019 7.392 2.007 1.00 0.17 C ATOM 1237 C VAL A 79 -2.421 7.718 1.538 1.00 0.18 C ATOM 1238 O VAL A 79 -2.619 8.548 0.663 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.669 5.973 1.515 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.743 5.899 0.000 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.700 5.541 2.011 1.00 0.18 C ATOM 0 H VAL A 79 -0.710 6.598 3.909 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.299 8.103 1.601 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.404 5.283 1.929 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.493 4.890 -0.328 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.753 6.147 -0.328 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.037 6.607 -0.434 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.918 4.537 1.648 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.456 6.233 1.641 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.709 5.543 3.101 1.00 0.18 H new ATOM 1251 N SER A 80 -3.386 7.068 2.159 1.00 0.20 N ATOM 1252 CA SER A 80 -4.780 7.168 1.755 1.00 0.25 C ATOM 1253 C SER A 80 -5.256 8.614 1.726 1.00 0.23 C ATOM 1254 O SER A 80 -5.943 9.042 0.805 1.00 0.23 O ATOM 1255 CB SER A 80 -5.629 6.358 2.727 1.00 0.36 C ATOM 1256 OG SER A 80 -5.022 5.105 2.975 1.00 0.99 O ATOM 0 H SER A 80 -3.228 6.455 2.959 1.00 0.20 H new ATOM 0 HA SER A 80 -4.880 6.774 0.744 1.00 0.25 H new ATOM 0 HB2 SER A 80 -5.747 6.905 3.662 1.00 0.36 H new ATOM 0 HB3 SER A 80 -6.628 6.212 2.315 1.00 0.36 H new ATOM 0 HG SER A 80 -4.793 4.678 2.123 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.847 9.364 2.723 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.303 10.731 2.899 1.00 0.25 C ATOM 1264 C ASP A 81 -4.807 11.637 1.777 1.00 0.25 C ATOM 1265 O ASP A 81 -5.582 12.384 1.190 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.822 11.252 4.254 1.00 0.31 C ATOM 1267 CG ASP A 81 -5.076 12.730 4.459 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -6.222 13.087 4.802 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -4.150 13.540 4.241 1.00 0.47 O ATOM 0 H ASP A 81 -4.190 9.048 3.436 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.392 10.739 2.866 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -5.320 10.693 5.046 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.754 11.059 4.350 1.00 0.31 H new ATOM 1274 N THR A 82 -3.510 11.599 1.513 1.00 0.23 N ATOM 1275 CA THR A 82 -2.923 12.451 0.480 1.00 0.25 C ATOM 1276 C THR A 82 -2.929 11.796 -0.912 1.00 0.22 C ATOM 1277 O THR A 82 -3.361 12.402 -1.899 1.00 0.23 O ATOM 1278 CB THR A 82 -1.486 12.897 0.854 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.898 13.635 -0.223 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.598 11.710 1.206 1.00 0.26 C ATOM 0 H THR A 82 -2.845 10.993 1.994 1.00 0.23 H new ATOM 0 HA THR A 82 -3.561 13.333 0.427 1.00 0.25 H new ATOM 0 HB THR A 82 -1.563 13.534 1.735 1.00 0.28 H new ATOM 0 HG1 THR A 82 0.008 13.912 0.027 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.400 12.066 1.462 1.00 0.26 H new ATOM 0 HG22 THR A 82 -1.023 11.178 2.057 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.535 11.037 0.351 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.449 10.559 -0.982 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.173 9.896 -2.251 1.00 0.19 C ATOM 1290 C PHE A 83 -3.438 9.456 -2.975 1.00 0.19 C ATOM 1291 O PHE A 83 -3.472 9.440 -4.201 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.286 8.684 -2.016 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.336 8.401 -3.145 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.641 9.322 -3.490 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.420 7.220 -3.863 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.517 9.068 -4.528 1.00 1.50 C ATOM 1297 CE2 PHE A 83 0.454 6.963 -4.903 1.00 2.25 C ATOM 1298 CZ PHE A 83 1.423 7.888 -5.236 1.00 2.24 C ATOM 0 H PHE A 83 -2.241 9.989 -0.162 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.669 10.625 -2.885 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.713 8.836 -1.101 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.916 7.809 -1.856 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.718 10.249 -2.941 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -1.176 6.492 -3.608 1.00 1.54 H new ATOM 0 HE1 PHE A 83 2.275 9.793 -4.785 1.00 1.50 H new ATOM 0 HE2 PHE A 83 0.379 6.038 -5.455 1.00 2.25 H new ATOM 0 HZ PHE A 83 2.106 7.688 -6.049 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.466 9.079 -2.229 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.710 8.611 -2.848 1.00 0.19 C ATOM 1310 C LEU A 84 -6.448 9.722 -3.607 1.00 0.22 C ATOM 1311 O LEU A 84 -6.964 9.476 -4.693 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.616 7.945 -1.816 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.236 6.498 -1.505 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -7.036 5.970 -0.335 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.460 5.626 -2.725 1.00 0.34 C ATOM 0 H LEU A 84 -4.471 9.085 -1.209 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.432 7.864 -3.591 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.588 8.525 -0.893 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.644 7.971 -2.178 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.180 6.472 -1.237 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.748 4.938 -0.133 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.839 6.581 0.546 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -8.099 6.010 -0.574 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -6.186 4.597 -2.492 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.511 5.666 -3.013 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -5.845 5.988 -3.549 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.536 10.950 -3.062 1.00 0.22 N ATOM 1328 CA PRO A 85 -7.041 12.094 -3.823 1.00 0.26 C ATOM 1329 C PRO A 85 -6.121 12.432 -4.993 1.00 0.28 C ATOM 1330 O PRO A 85 -6.543 13.014 -5.991 1.00 0.33 O ATOM 1331 CB PRO A 85 -7.046 13.252 -2.824 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.881 12.641 -1.482 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.216 11.309 -1.673 1.00 0.22 C ATOM 0 HA PRO A 85 -8.024 11.889 -4.246 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -6.238 13.952 -3.035 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.978 13.814 -2.884 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.277 13.283 -0.840 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.848 12.521 -0.994 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -5.139 11.374 -1.515 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.597 10.568 -0.971 1.00 0.22 H new ATOM 1341 N ARG A 86 -4.856 12.070 -4.842 1.00 0.27 N ATOM 1342 CA ARG A 86 -3.847 12.298 -5.866 1.00 0.31 C ATOM 1343 C ARG A 86 -4.014 11.305 -7.018 1.00 0.35 C ATOM 1344 O ARG A 86 -3.906 11.669 -8.189 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.465 12.171 -5.227 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.300 12.283 -6.187 1.00 0.75 C ATOM 1347 CD ARG A 86 0.011 12.202 -5.431 1.00 0.72 C ATOM 1348 NE ARG A 86 1.166 12.168 -6.317 1.00 1.43 N ATOM 1349 CZ ARG A 86 2.402 12.460 -5.926 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.636 12.821 -4.669 1.00 1.44 N ATOM 1351 NH2 ARG A 86 3.407 12.389 -6.787 1.00 2.56 N ATOM 0 H ARG A 86 -4.499 11.609 -4.005 1.00 0.27 H new ATOM 0 HA ARG A 86 -3.962 13.299 -6.281 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.362 12.943 -4.464 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.405 11.209 -4.718 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -1.351 11.484 -6.927 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.357 13.226 -6.731 1.00 0.75 H new ATOM 0 HD2 ARG A 86 0.095 13.059 -4.763 1.00 0.72 H new ATOM 0 HD3 ARG A 86 0.011 11.309 -4.805 1.00 0.72 H new ATOM 0 HE ARG A 86 1.018 11.906 -7.292 1.00 1.43 H new ATOM 0 HH11 ARG A 86 1.866 12.874 -4.002 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.585 13.045 -4.371 1.00 1.44 H new ATOM 0 HH21 ARG A 86 3.233 12.110 -7.752 1.00 2.56 H new ATOM 0 HH22 ARG A 86 4.355 12.614 -6.484 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.284 10.053 -6.677 1.00 0.30 N ATOM 1366 CA ASN A 87 -4.540 9.017 -7.672 1.00 0.37 C ATOM 1367 C ASN A 87 -5.836 8.286 -7.341 1.00 0.34 C ATOM 1368 O ASN A 87 -5.819 7.210 -6.742 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.383 8.012 -7.743 1.00 0.50 C ATOM 1370 CG ASN A 87 -2.090 8.625 -8.252 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -1.232 9.065 -7.340 1.00 1.78 O flip ATOM 1372 ND2 ASN A 87 -1.854 8.688 -9.458 1.00 1.22 N flip ATOM 0 H ASN A 87 -4.332 9.727 -5.712 1.00 0.30 H new ATOM 0 HA ASN A 87 -4.631 9.501 -8.644 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -3.213 7.592 -6.751 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -3.667 7.186 -8.395 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -2.537 8.340 -10.130 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -0.975 9.089 -9.785 1.00 1.22 H new ATOM 1379 N PRO A 88 -6.981 8.879 -7.701 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.294 8.342 -7.365 1.00 0.42 C ATOM 1381 C PRO A 88 -8.721 7.215 -8.297 1.00 0.49 C ATOM 1382 O PRO A 88 -9.550 7.411 -9.185 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.233 9.548 -7.524 1.00 0.53 C ATOM 1384 CG PRO A 88 -8.366 10.707 -7.905 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.101 10.125 -8.456 1.00 0.46 C ATOM 0 HA PRO A 88 -8.304 7.905 -6.366 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -9.985 9.357 -8.289 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -9.767 9.750 -6.596 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -8.860 11.334 -8.647 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.159 11.338 -7.041 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -7.169 9.946 -9.529 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -6.246 10.782 -8.296 1.00 0.46 H new ATOM 1393 N SER A 89 -8.149 6.039 -8.103 1.00 0.30 N ATOM 1394 CA SER A 89 -8.497 4.892 -8.926 1.00 0.36 C ATOM 1395 C SER A 89 -8.766 3.668 -8.061 1.00 0.34 C ATOM 1396 O SER A 89 -8.961 2.565 -8.569 1.00 0.42 O ATOM 1397 CB SER A 89 -7.360 4.595 -9.904 1.00 0.44 C ATOM 1398 OG SER A 89 -7.020 5.748 -10.660 1.00 1.37 O ATOM 0 H SER A 89 -7.446 5.853 -7.388 1.00 0.30 H new ATOM 0 HA SER A 89 -9.404 5.127 -9.482 1.00 0.36 H new ATOM 0 HB2 SER A 89 -6.486 4.246 -9.354 1.00 0.44 H new ATOM 0 HB3 SER A 89 -7.656 3.790 -10.577 1.00 0.44 H new ATOM 0 HG SER A 89 -6.290 5.531 -11.276 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.794 3.868 -6.749 1.00 0.30 N ATOM 1405 CA TRP A 90 -8.863 2.748 -5.825 1.00 0.28 C ATOM 1406 C TRP A 90 -10.114 2.828 -4.958 1.00 0.32 C ATOM 1407 O TRP A 90 -10.317 2.008 -4.065 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.615 2.721 -4.946 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.355 3.059 -5.692 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.559 4.147 -5.488 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.759 2.324 -6.770 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.498 4.130 -6.356 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.598 3.021 -7.158 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -6.088 1.142 -7.442 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.769 2.577 -8.185 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.264 0.704 -8.463 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -4.116 1.421 -8.825 1.00 0.38 C ATOM 0 H TRP A 90 -8.770 4.787 -6.306 1.00 0.30 H new ATOM 0 HA TRP A 90 -8.913 1.828 -6.407 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.743 3.426 -4.124 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.512 1.730 -4.503 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.739 4.913 -4.748 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.755 4.828 -6.399 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -6.970 0.581 -7.168 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -2.883 3.127 -8.466 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.510 -0.206 -8.990 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.493 1.052 -9.626 1.00 0.38 H new ATOM 1428 N LYS A 91 -10.959 3.813 -5.238 1.00 0.37 N ATOM 1429 CA LYS A 91 -12.209 3.987 -4.502 1.00 0.43 C ATOM 1430 C LYS A 91 -13.128 2.754 -4.602 1.00 0.41 C ATOM 1431 O LYS A 91 -13.772 2.401 -3.616 1.00 0.42 O ATOM 1432 CB LYS A 91 -12.948 5.249 -4.965 1.00 0.55 C ATOM 1433 CG LYS A 91 -12.336 6.539 -4.435 1.00 1.20 C ATOM 1434 CD LYS A 91 -13.175 7.754 -4.807 1.00 1.38 C ATOM 1435 CE LYS A 91 -12.765 8.986 -4.009 1.00 1.83 C ATOM 1436 NZ LYS A 91 -11.359 9.408 -4.270 1.00 2.61 N ATOM 0 H LYS A 91 -10.802 4.505 -5.970 1.00 0.37 H new ATOM 0 HA LYS A 91 -11.941 4.103 -3.452 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -12.952 5.279 -6.055 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -13.988 5.190 -4.643 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -12.243 6.479 -3.351 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -11.329 6.656 -4.835 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -13.068 7.958 -5.872 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -14.228 7.538 -4.628 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -13.437 9.809 -4.252 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -12.885 8.780 -2.945 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -10.809 9.346 -3.390 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -10.937 8.784 -4.987 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -11.349 10.389 -4.616 1.00 2.61 H new ATOM 1450 N PRO A 92 -13.228 2.083 -5.778 1.00 0.41 N ATOM 1451 CA PRO A 92 -14.000 0.832 -5.909 1.00 0.42 C ATOM 1452 C PRO A 92 -13.530 -0.288 -4.976 1.00 0.38 C ATOM 1453 O PRO A 92 -14.238 -1.276 -4.773 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.781 0.422 -7.366 1.00 0.46 C ATOM 1455 CG PRO A 92 -13.453 1.687 -8.072 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.680 2.510 -7.084 1.00 0.43 C ATOM 0 HA PRO A 92 -15.043 0.995 -5.636 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -12.971 -0.302 -7.456 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.673 -0.044 -7.784 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -12.864 1.494 -8.968 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -14.358 2.204 -8.391 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.609 2.318 -7.152 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -12.824 3.578 -7.250 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.343 -0.141 -4.415 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.787 -1.159 -3.535 1.00 0.26 C ATOM 1466 C LEU A 93 -12.043 -0.804 -2.083 1.00 0.22 C ATOM 1467 O LEU A 93 -12.422 -1.648 -1.274 1.00 0.21 O ATOM 1468 CB LEU A 93 -10.280 -1.269 -3.750 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.836 -1.267 -5.205 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -8.334 -1.070 -5.287 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -10.244 -2.565 -5.887 1.00 0.26 C ATOM 0 H LEU A 93 -11.744 0.673 -4.552 1.00 0.30 H new ATOM 0 HA LEU A 93 -12.268 -2.108 -3.769 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.793 -0.440 -3.236 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.927 -2.187 -3.279 1.00 0.25 H new ATOM 0 HG LEU A 93 -10.326 -0.442 -5.722 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -8.024 -1.070 -6.332 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -8.066 -0.118 -4.829 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.831 -1.881 -4.759 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -9.919 -2.547 -6.927 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.778 -3.407 -5.375 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.328 -2.672 -5.847 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.833 0.459 -1.772 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.825 0.925 -0.399 1.00 0.22 C ATOM 1485 C ILE A 94 -13.013 1.831 -0.115 1.00 0.27 C ATOM 1486 O ILE A 94 -14.056 1.735 -0.762 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.530 1.711 -0.122 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.454 2.937 -1.028 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.312 0.833 -0.342 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -9.169 3.698 -0.883 1.00 0.75 C ATOM 0 H ILE A 94 -11.663 1.191 -2.462 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.885 0.050 0.248 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.543 2.035 0.919 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -10.568 2.622 -2.065 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.289 3.600 -0.803 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.408 1.408 -0.141 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.355 -0.024 0.331 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -9.297 0.483 -1.374 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -9.177 4.557 -1.553 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -9.064 4.042 0.146 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.331 3.049 -1.136 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.845 2.695 0.879 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.818 3.731 1.157 1.00 0.43 C ATOM 1504 C HIS A 95 -13.739 4.813 0.082 1.00 0.39 C ATOM 1505 O HIS A 95 -14.648 4.946 -0.731 1.00 0.55 O ATOM 1506 CB HIS A 95 -13.591 4.331 2.549 1.00 0.64 C ATOM 1507 CG HIS A 95 -14.021 3.437 3.674 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -15.286 3.461 4.219 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -13.344 2.485 4.357 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -15.367 2.565 5.182 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -14.202 1.961 5.285 1.00 1.70 N ATOM 0 H HIS A 95 -12.040 2.694 1.505 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.815 3.291 1.143 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -12.532 4.562 2.666 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -14.133 5.274 2.620 1.00 0.64 H new ATOM 0 HD2 HIS A 95 -12.316 2.193 4.199 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -16.240 2.361 5.784 1.00 2.24 H new ATOM 0 HE2 HIS A 95 -13.975 1.221 5.950 1.00 1.70 H new ATOM 1520 N SER A 96 -12.634 5.554 0.056 1.00 0.41 N ATOM 1521 CA SER A 96 -12.446 6.606 -0.937 1.00 0.49 C ATOM 1522 C SER A 96 -11.051 7.207 -0.840 1.00 0.67 C ATOM 1523 O SER A 96 -10.283 7.202 -1.802 1.00 1.53 O ATOM 1524 CB SER A 96 -13.477 7.713 -0.721 1.00 0.51 C ATOM 1525 OG SER A 96 -13.455 8.160 0.623 1.00 1.43 O ATOM 0 H SER A 96 -11.858 5.445 0.709 1.00 0.41 H new ATOM 0 HA SER A 96 -12.572 6.162 -1.925 1.00 0.49 H new ATOM 0 HB2 SER A 96 -13.268 8.547 -1.391 1.00 0.51 H new ATOM 0 HB3 SER A 96 -14.472 7.345 -0.971 1.00 0.51 H new ATOM 0 HG SER A 96 -14.120 8.870 0.743 1.00 1.43 H new ATOM 1531 N GLU A 97 -10.758 7.732 0.333 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.536 8.447 0.595 1.00 0.52 C ATOM 1533 C GLU A 97 -8.997 7.967 1.943 1.00 0.61 C ATOM 1534 O GLU A 97 -8.843 6.764 2.144 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.867 9.944 0.569 1.00 0.47 C ATOM 1536 CG GLU A 97 -8.710 10.894 0.796 1.00 1.09 C ATOM 1537 CD GLU A 97 -9.177 12.332 0.754 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -9.763 12.733 -0.275 1.00 1.89 O ATOM 1539 OE2 GLU A 97 -8.993 13.054 1.751 1.00 1.79 O ATOM 0 H GLU A 97 -11.377 7.670 1.142 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.760 8.266 -0.149 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -10.316 10.178 -0.396 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.624 10.140 1.329 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -8.247 10.686 1.761 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -7.947 10.733 0.035 1.00 1.09 H new