USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 602 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 33 GLN : amide:sc= -5.8! C(o=-14!,f=-13!) USER MOD Set 1.2: A 51 ASN : amide:sc= -2.45! K(o=-14!,f=-12) USER MOD Set 1.3: A 52 SER OG : rot 70:sc= -5.33! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= -0.0329 (180deg=-0.675) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -137:sc= -0.78 (180deg=-1.15) USER MOD Single : A 12 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.092) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc=-0.00521 (180deg=-0.178) USER MOD Single : A 19 THR OG1 : rot -10:sc= 0.295! USER MOD Single : A 20 SER OG : rot 180:sc= 0.00138 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= -0.276 (180deg=-1.02) USER MOD Single : A 30 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.014) USER MOD Single : A 34 ASN : amide:sc= -6.79! C(o=-6.8!,f=-2.1!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.12 (180deg=-0.848) USER MOD Single : A 48 TYR OH : rot 110:sc= -0.332 USER MOD Single : A 49 ASN : amide:sc= -1.62 K(o=-1.6,f=-12!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.766 X(o=-0.77,f=-0.31) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.671! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.065 -7.628 8.215 1.00 0.00 N ATOM 2 CA MET A 1 7.362 -6.209 7.871 1.00 0.00 C ATOM 3 C MET A 1 6.132 -5.345 8.159 1.00 0.00 C ATOM 4 O MET A 1 5.155 -5.806 8.713 1.00 0.00 O ATOM 5 CB MET A 1 7.720 -6.107 6.387 1.00 0.00 C ATOM 6 CG MET A 1 8.856 -7.078 6.067 1.00 0.00 C ATOM 7 SD MET A 1 9.359 -6.872 4.340 1.00 0.00 S ATOM 8 CE MET A 1 10.611 -5.593 4.619 1.00 0.00 C ATOM 0 H1 MET A 1 7.907 -8.066 8.640 1.00 0.00 H new ATOM 0 H2 MET A 1 6.277 -7.663 8.893 1.00 0.00 H new ATOM 0 H3 MET A 1 6.803 -8.147 7.353 1.00 0.00 H new ATOM 0 HA MET A 1 8.201 -5.859 8.472 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.848 -6.337 5.775 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.020 -5.088 6.144 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.703 -6.894 6.728 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.532 -8.104 6.243 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.060 -5.310 3.667 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.144 -4.719 5.074 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.383 -5.979 5.284 1.00 0.00 H new ATOM 20 N GLU A 2 6.172 -4.094 7.783 1.00 0.00 N ATOM 21 CA GLU A 2 5.005 -3.197 8.030 1.00 0.00 C ATOM 22 C GLU A 2 4.961 -2.111 6.953 1.00 0.00 C ATOM 23 O GLU A 2 4.798 -0.942 7.244 1.00 0.00 O ATOM 24 CB GLU A 2 5.143 -2.542 9.408 1.00 0.00 C ATOM 25 CG GLU A 2 6.551 -1.963 9.565 1.00 0.00 C ATOM 26 CD GLU A 2 7.545 -3.091 9.850 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.357 -3.785 10.837 1.00 0.00 O ATOM 28 OE2 GLU A 2 8.476 -3.244 9.077 1.00 0.00 O ATOM 0 H GLU A 2 6.964 -3.654 7.315 1.00 0.00 H new ATOM 0 HA GLU A 2 4.086 -3.782 7.997 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.400 -1.753 9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.952 -3.276 10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.839 -1.432 8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.567 -1.237 10.378 1.00 0.00 H new ATOM 35 N LEU A 3 5.103 -2.487 5.708 1.00 0.00 N ATOM 36 CA LEU A 3 5.068 -1.479 4.604 1.00 0.00 C ATOM 37 C LEU A 3 3.656 -1.427 4.017 1.00 0.00 C ATOM 38 O LEU A 3 3.350 -2.095 3.049 1.00 0.00 O ATOM 39 CB LEU A 3 6.066 -1.892 3.513 1.00 0.00 C ATOM 40 CG LEU A 3 6.078 -0.860 2.372 1.00 0.00 C ATOM 41 CD1 LEU A 3 6.595 0.496 2.885 1.00 0.00 C ATOM 42 CD2 LEU A 3 6.991 -1.371 1.253 1.00 0.00 C ATOM 0 H LEU A 3 5.242 -3.452 5.407 1.00 0.00 H new ATOM 0 HA LEU A 3 5.338 -0.496 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.065 -1.981 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.799 -2.873 3.121 1.00 0.00 H new ATOM 0 HG LEU A 3 5.065 -0.725 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.598 1.217 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.945 0.855 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.608 0.378 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.008 -0.647 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.001 -1.505 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.615 -2.325 0.884 1.00 0.00 H new ATOM 54 N TRP A 4 2.789 -0.637 4.595 1.00 0.00 N ATOM 55 CA TRP A 4 1.396 -0.544 4.069 1.00 0.00 C ATOM 56 C TRP A 4 1.350 0.476 2.927 1.00 0.00 C ATOM 57 O TRP A 4 2.184 1.354 2.834 1.00 0.00 O ATOM 58 CB TRP A 4 0.457 -0.109 5.196 1.00 0.00 C ATOM 59 CG TRP A 4 0.539 -1.107 6.307 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.578 -1.226 7.167 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.428 -2.129 6.689 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.313 -2.253 8.054 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.090 -2.843 7.804 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.696 -2.506 6.185 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.622 -3.896 8.397 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.415 -3.564 6.781 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.880 -4.256 7.884 1.00 0.00 C ATOM 0 H TRP A 4 2.986 -0.053 5.408 1.00 0.00 H new ATOM 0 HA TRP A 4 1.078 -1.516 3.693 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.735 0.881 5.557 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.566 -0.038 4.828 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.470 -0.617 7.161 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.944 -2.540 8.802 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -2.116 -1.981 5.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.207 -4.426 9.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.381 -3.844 6.389 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.436 -5.064 8.336 1.00 0.00 H new ATOM 78 N VAL A 5 0.385 0.352 2.047 1.00 0.00 N ATOM 79 CA VAL A 5 0.271 1.294 0.888 1.00 0.00 C ATOM 80 C VAL A 5 -1.164 1.821 0.792 1.00 0.00 C ATOM 81 O VAL A 5 -2.076 1.273 1.379 1.00 0.00 O ATOM 82 CB VAL A 5 0.620 0.541 -0.399 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.521 1.490 -1.595 1.00 0.00 C ATOM 84 CG2 VAL A 5 2.046 -0.008 -0.300 1.00 0.00 C ATOM 0 H VAL A 5 -0.336 -0.369 2.083 1.00 0.00 H new ATOM 0 HA VAL A 5 0.954 2.132 1.028 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.079 -0.284 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.770 0.951 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.495 1.878 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.217 2.318 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.294 -0.544 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.745 0.817 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.116 -0.689 0.549 1.00 0.00 H new ATOM 94 N SER A 6 -1.367 2.886 0.051 1.00 0.00 N ATOM 95 CA SER A 6 -2.739 3.473 -0.102 1.00 0.00 C ATOM 96 C SER A 6 -3.255 3.184 -1.530 1.00 0.00 C ATOM 97 O SER A 6 -2.459 3.040 -2.435 1.00 0.00 O ATOM 98 CB SER A 6 -2.646 4.988 0.116 1.00 0.00 C ATOM 99 OG SER A 6 -2.608 5.259 1.510 1.00 0.00 O ATOM 0 H SER A 6 -0.634 3.378 -0.459 1.00 0.00 H new ATOM 0 HA SER A 6 -3.424 3.035 0.624 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.752 5.383 -0.368 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.502 5.486 -0.340 1.00 0.00 H new ATOM 0 HG SER A 6 -2.547 6.226 1.654 1.00 0.00 H new ATOM 105 N PRO A 7 -4.565 3.114 -1.711 1.00 0.00 N ATOM 106 CA PRO A 7 -5.142 2.851 -3.048 1.00 0.00 C ATOM 107 C PRO A 7 -4.607 3.865 -4.074 1.00 0.00 C ATOM 108 O PRO A 7 -4.248 3.510 -5.179 1.00 0.00 O ATOM 109 CB PRO A 7 -6.672 2.998 -2.860 1.00 0.00 C ATOM 110 CG PRO A 7 -6.933 3.295 -1.354 1.00 0.00 C ATOM 111 CD PRO A 7 -5.567 3.281 -0.632 1.00 0.00 C ATOM 0 HA PRO A 7 -4.877 1.864 -3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.059 3.805 -3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.185 2.086 -3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.420 4.263 -1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.600 2.547 -0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.403 4.207 -0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.510 2.466 0.089 1.00 0.00 H new ATOM 119 N LYS A 8 -4.565 5.119 -3.719 1.00 0.00 N ATOM 120 CA LYS A 8 -4.069 6.149 -4.680 1.00 0.00 C ATOM 121 C LYS A 8 -2.644 5.803 -5.125 1.00 0.00 C ATOM 122 O LYS A 8 -2.212 6.185 -6.194 1.00 0.00 O ATOM 123 CB LYS A 8 -4.079 7.525 -4.004 1.00 0.00 C ATOM 124 CG LYS A 8 -3.554 7.400 -2.572 1.00 0.00 C ATOM 125 CD LYS A 8 -3.195 8.787 -2.034 1.00 0.00 C ATOM 126 CE LYS A 8 -2.764 8.675 -0.571 1.00 0.00 C ATOM 127 NZ LYS A 8 -1.418 8.042 -0.496 1.00 0.00 N ATOM 0 H LYS A 8 -4.851 5.477 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.720 6.169 -5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.461 8.223 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.091 7.930 -3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.309 6.936 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.677 6.752 -2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.391 9.221 -2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.052 9.455 -2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.739 9.663 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.488 8.082 -0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.405 7.343 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.207 7.568 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.701 8.772 -0.313 1.00 0.00 H new ATOM 141 N GLU A 9 -1.911 5.084 -4.319 1.00 0.00 N ATOM 142 CA GLU A 9 -0.517 4.717 -4.709 1.00 0.00 C ATOM 143 C GLU A 9 -0.550 3.464 -5.585 1.00 0.00 C ATOM 144 O GLU A 9 0.347 3.214 -6.365 1.00 0.00 O ATOM 145 CB GLU A 9 0.304 4.437 -3.452 1.00 0.00 C ATOM 146 CG GLU A 9 0.588 5.751 -2.721 1.00 0.00 C ATOM 147 CD GLU A 9 1.536 5.489 -1.549 1.00 0.00 C ATOM 148 OE1 GLU A 9 1.079 4.959 -0.550 1.00 0.00 O ATOM 149 OE2 GLU A 9 2.702 5.825 -1.671 1.00 0.00 O ATOM 0 H GLU A 9 -2.215 4.735 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.064 5.538 -5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.237 3.754 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.241 3.948 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.032 6.472 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.343 6.187 -2.359 1.00 0.00 H new ATOM 156 N LEU A 10 -1.579 2.673 -5.461 1.00 0.00 N ATOM 157 CA LEU A 10 -1.679 1.434 -6.284 1.00 0.00 C ATOM 158 C LEU A 10 -2.246 1.790 -7.661 1.00 0.00 C ATOM 159 O LEU A 10 -2.065 1.071 -8.624 1.00 0.00 O ATOM 160 CB LEU A 10 -2.617 0.442 -5.591 1.00 0.00 C ATOM 161 CG LEU A 10 -2.034 0.015 -4.235 1.00 0.00 C ATOM 162 CD1 LEU A 10 -3.069 -0.832 -3.489 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.750 -0.811 -4.441 1.00 0.00 C ATOM 0 H LEU A 10 -2.359 2.831 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.692 0.986 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.597 0.898 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.763 -0.434 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.791 0.905 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.662 -1.139 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.974 -0.245 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.309 -1.716 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.348 -1.107 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.980 -1.702 -5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.012 -0.210 -4.972 1.00 0.00 H new ATOM 175 N ALA A 11 -2.947 2.887 -7.748 1.00 0.00 N ATOM 176 CA ALA A 11 -3.546 3.312 -9.049 1.00 0.00 C ATOM 177 C ALA A 11 -2.456 3.626 -10.088 1.00 0.00 C ATOM 178 O ALA A 11 -2.652 4.460 -10.950 1.00 0.00 O ATOM 179 CB ALA A 11 -4.400 4.562 -8.827 1.00 0.00 C ATOM 0 H ALA A 11 -3.133 3.515 -6.966 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.159 2.494 -9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.839 4.876 -9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.195 4.338 -8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.776 5.364 -8.433 1.00 0.00 H new ATOM 185 N ASN A 12 -1.311 2.990 -10.025 1.00 0.00 N ATOM 186 CA ASN A 12 -0.235 3.294 -11.025 1.00 0.00 C ATOM 187 C ASN A 12 0.584 2.039 -11.345 1.00 0.00 C ATOM 188 O ASN A 12 1.405 2.046 -12.241 1.00 0.00 O ATOM 189 CB ASN A 12 0.692 4.368 -10.455 1.00 0.00 C ATOM 190 CG ASN A 12 1.575 4.927 -11.572 1.00 0.00 C ATOM 191 OD1 ASN A 12 2.785 4.943 -11.457 1.00 0.00 O ATOM 192 ND2 ASN A 12 1.018 5.389 -12.658 1.00 0.00 N ATOM 0 H ASN A 12 -1.075 2.280 -9.332 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.703 3.647 -11.944 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.105 5.169 -10.006 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.312 3.946 -9.664 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.598 5.763 -13.409 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.003 5.376 -12.756 1.00 0.00 H new ATOM 199 N LEU A 13 0.372 0.956 -10.644 1.00 0.00 N ATOM 200 CA LEU A 13 1.153 -0.278 -10.953 1.00 0.00 C ATOM 201 C LEU A 13 0.519 -0.953 -12.187 1.00 0.00 C ATOM 202 O LEU A 13 -0.676 -0.858 -12.365 1.00 0.00 O ATOM 203 CB LEU A 13 1.100 -1.231 -9.750 1.00 0.00 C ATOM 204 CG LEU A 13 1.400 -0.463 -8.456 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.604 -1.455 -7.310 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.673 0.374 -8.627 1.00 0.00 C ATOM 0 H LEU A 13 -0.299 0.872 -9.880 1.00 0.00 H new ATOM 0 HA LEU A 13 2.194 -0.029 -11.158 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.116 -1.695 -9.687 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.824 -2.035 -9.881 1.00 0.00 H new ATOM 0 HG LEU A 13 0.561 0.196 -8.232 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.817 -0.910 -6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.700 -2.049 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.440 -2.114 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.879 0.916 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.512 -0.283 -8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.534 1.085 -9.442 1.00 0.00 H new ATOM 218 N PRO A 14 1.311 -1.608 -13.019 1.00 0.00 N ATOM 219 CA PRO A 14 0.768 -2.267 -14.226 1.00 0.00 C ATOM 220 C PRO A 14 -0.288 -3.316 -13.841 1.00 0.00 C ATOM 221 O PRO A 14 -1.446 -3.206 -14.194 1.00 0.00 O ATOM 222 CB PRO A 14 1.992 -2.928 -14.906 1.00 0.00 C ATOM 223 CG PRO A 14 3.218 -2.709 -13.973 1.00 0.00 C ATOM 224 CD PRO A 14 2.776 -1.751 -12.846 1.00 0.00 C ATOM 0 HA PRO A 14 0.268 -1.563 -14.892 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.815 -3.992 -15.064 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.172 -2.486 -15.886 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.559 -3.658 -13.558 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.054 -2.286 -14.530 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.020 -2.157 -11.864 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.279 -0.787 -12.927 1.00 0.00 H new ATOM 232 N GLY A 15 0.113 -4.337 -13.139 1.00 0.00 N ATOM 233 CA GLY A 15 -0.848 -5.410 -12.742 1.00 0.00 C ATOM 234 C GLY A 15 -2.154 -4.794 -12.234 1.00 0.00 C ATOM 235 O GLY A 15 -3.229 -5.301 -12.488 1.00 0.00 O ATOM 0 H GLY A 15 1.071 -4.478 -12.819 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.051 -6.059 -13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.406 -6.034 -11.965 1.00 0.00 H new ATOM 239 N LEU A 16 -2.073 -3.708 -11.513 1.00 0.00 N ATOM 240 CA LEU A 16 -3.311 -3.061 -10.979 1.00 0.00 C ATOM 241 C LEU A 16 -3.772 -1.961 -11.960 1.00 0.00 C ATOM 242 O LEU A 16 -2.944 -1.368 -12.621 1.00 0.00 O ATOM 243 CB LEU A 16 -2.980 -2.428 -9.623 1.00 0.00 C ATOM 244 CG LEU A 16 -2.215 -3.433 -8.754 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.930 -2.799 -7.392 1.00 0.00 C ATOM 246 CD2 LEU A 16 -3.058 -4.700 -8.562 1.00 0.00 C ATOM 0 H LEU A 16 -1.201 -3.238 -11.269 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.105 -3.799 -10.864 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.381 -1.529 -9.768 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.898 -2.123 -9.120 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.277 -3.699 -9.242 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.386 -3.508 -6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.330 -1.899 -7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.871 -2.537 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.510 -5.411 -7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.997 -4.442 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.267 -5.149 -9.533 1.00 0.00 H new ATOM 258 N PRO A 17 -5.066 -1.695 -12.039 1.00 0.00 N ATOM 259 CA PRO A 17 -5.570 -0.647 -12.949 1.00 0.00 C ATOM 260 C PRO A 17 -4.861 0.684 -12.651 1.00 0.00 C ATOM 261 O PRO A 17 -3.997 0.759 -11.800 1.00 0.00 O ATOM 262 CB PRO A 17 -7.089 -0.561 -12.663 1.00 0.00 C ATOM 263 CG PRO A 17 -7.417 -1.615 -11.566 1.00 0.00 C ATOM 264 CD PRO A 17 -6.116 -2.390 -11.259 1.00 0.00 C ATOM 0 HA PRO A 17 -5.381 -0.870 -13.999 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.360 0.440 -12.327 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.662 -0.759 -13.569 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.793 -1.127 -10.667 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.196 -2.295 -11.910 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.890 -2.377 -10.193 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.200 -3.436 -11.554 1.00 0.00 H new ATOM 272 N LYS A 18 -5.221 1.729 -13.352 1.00 0.00 N ATOM 273 CA LYS A 18 -4.572 3.060 -13.125 1.00 0.00 C ATOM 274 C LYS A 18 -5.489 3.944 -12.276 1.00 0.00 C ATOM 275 O LYS A 18 -5.225 5.115 -12.082 1.00 0.00 O ATOM 276 CB LYS A 18 -4.326 3.734 -14.477 1.00 0.00 C ATOM 277 CG LYS A 18 -3.773 2.703 -15.463 1.00 0.00 C ATOM 278 CD LYS A 18 -3.173 3.422 -16.673 1.00 0.00 C ATOM 279 CE LYS A 18 -2.535 2.398 -17.612 1.00 0.00 C ATOM 280 NZ LYS A 18 -1.260 1.905 -17.018 1.00 0.00 N ATOM 0 H LYS A 18 -5.940 1.719 -14.076 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.625 2.919 -12.603 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.255 4.158 -14.859 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.622 4.559 -14.363 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.013 2.091 -14.977 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.567 2.029 -15.784 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.948 3.980 -17.199 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.426 4.145 -16.346 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.218 1.565 -17.776 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.344 2.851 -18.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.704 1.415 -17.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.714 2.710 -16.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.471 1.246 -16.242 1.00 0.00 H new ATOM 294 N THR A 19 -6.565 3.394 -11.772 1.00 0.00 N ATOM 295 CA THR A 19 -7.513 4.194 -10.933 1.00 0.00 C ATOM 296 C THR A 19 -7.867 3.404 -9.673 1.00 0.00 C ATOM 297 O THR A 19 -8.233 2.247 -9.736 1.00 0.00 O ATOM 298 CB THR A 19 -8.788 4.470 -11.734 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.622 3.320 -11.704 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.421 4.799 -13.181 1.00 0.00 C ATOM 0 H THR A 19 -6.830 2.418 -11.906 1.00 0.00 H new ATOM 0 HA THR A 19 -7.045 5.138 -10.652 1.00 0.00 H new ATOM 0 HB THR A 19 -9.318 5.315 -11.295 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.127 2.567 -11.319 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.329 4.995 -13.751 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.781 5.681 -13.203 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.891 3.955 -13.623 1.00 0.00 H new ATOM 308 N SER A 20 -7.762 4.020 -8.528 1.00 0.00 N ATOM 309 CA SER A 20 -8.093 3.306 -7.264 1.00 0.00 C ATOM 310 C SER A 20 -9.488 2.688 -7.381 1.00 0.00 C ATOM 311 O SER A 20 -9.774 1.662 -6.797 1.00 0.00 O ATOM 312 CB SER A 20 -8.071 4.296 -6.098 1.00 0.00 C ATOM 313 OG SER A 20 -8.747 5.486 -6.482 1.00 0.00 O ATOM 0 H SER A 20 -7.461 4.988 -8.414 1.00 0.00 H new ATOM 0 HA SER A 20 -7.359 2.520 -7.087 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.551 3.857 -5.223 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.042 4.522 -5.817 1.00 0.00 H new ATOM 0 HG SER A 20 -8.737 6.123 -5.737 1.00 0.00 H new ATOM 319 N ALA A 21 -10.356 3.306 -8.133 1.00 0.00 N ATOM 320 CA ALA A 21 -11.731 2.754 -8.288 1.00 0.00 C ATOM 321 C ALA A 21 -11.643 1.298 -8.742 1.00 0.00 C ATOM 322 O ALA A 21 -12.424 0.461 -8.335 1.00 0.00 O ATOM 323 CB ALA A 21 -12.492 3.571 -9.334 1.00 0.00 C ATOM 0 H ALA A 21 -10.173 4.168 -8.646 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.256 2.807 -7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.498 3.168 -9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.552 4.610 -9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.969 3.517 -10.289 1.00 0.00 H new ATOM 329 N GLY A 22 -10.692 0.988 -9.581 1.00 0.00 N ATOM 330 CA GLY A 22 -10.548 -0.416 -10.062 1.00 0.00 C ATOM 331 C GLY A 22 -9.788 -1.232 -9.017 1.00 0.00 C ATOM 332 O GLY A 22 -10.069 -2.393 -8.799 1.00 0.00 O ATOM 0 H GLY A 22 -10.008 1.647 -9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.530 -0.855 -10.239 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.015 -0.434 -11.013 1.00 0.00 H new ATOM 336 N VAL A 23 -8.829 -0.633 -8.365 1.00 0.00 N ATOM 337 CA VAL A 23 -8.054 -1.374 -7.332 1.00 0.00 C ATOM 338 C VAL A 23 -8.985 -1.749 -6.179 1.00 0.00 C ATOM 339 O VAL A 23 -9.152 -2.907 -5.856 1.00 0.00 O ATOM 340 CB VAL A 23 -6.923 -0.487 -6.805 1.00 0.00 C ATOM 341 CG1 VAL A 23 -5.991 -1.314 -5.916 1.00 0.00 C ATOM 342 CG2 VAL A 23 -6.128 0.081 -7.983 1.00 0.00 C ATOM 0 H VAL A 23 -8.549 0.338 -8.504 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.630 -2.277 -7.771 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.348 0.330 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.187 -0.680 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.554 -1.719 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.567 -2.133 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.323 0.713 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.706 -0.738 -8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.789 0.673 -8.616 1.00 0.00 H new ATOM 352 N ILE A 24 -9.594 -0.778 -5.557 1.00 0.00 N ATOM 353 CA ILE A 24 -10.515 -1.084 -4.429 1.00 0.00 C ATOM 354 C ILE A 24 -11.537 -2.126 -4.889 1.00 0.00 C ATOM 355 O ILE A 24 -11.838 -3.067 -4.183 1.00 0.00 O ATOM 356 CB ILE A 24 -11.224 0.202 -3.990 1.00 0.00 C ATOM 357 CG1 ILE A 24 -10.190 1.132 -3.332 1.00 0.00 C ATOM 358 CG2 ILE A 24 -12.333 -0.136 -2.985 1.00 0.00 C ATOM 359 CD1 ILE A 24 -10.781 2.533 -3.093 1.00 0.00 C ATOM 0 H ILE A 24 -9.494 0.212 -5.781 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.955 -1.482 -3.583 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.671 0.695 -4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.863 0.705 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.308 1.209 -3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.835 0.781 -2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.056 -0.805 -3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.897 -0.624 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.029 3.170 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.085 2.967 -4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.648 2.455 -2.437 1.00 0.00 H new ATOM 371 N TYR A 25 -12.064 -1.973 -6.073 1.00 0.00 N ATOM 372 CA TYR A 25 -13.055 -2.963 -6.579 1.00 0.00 C ATOM 373 C TYR A 25 -12.391 -4.338 -6.649 1.00 0.00 C ATOM 374 O TYR A 25 -12.974 -5.343 -6.292 1.00 0.00 O ATOM 375 CB TYR A 25 -13.528 -2.549 -7.973 1.00 0.00 C ATOM 376 CG TYR A 25 -14.716 -3.391 -8.375 1.00 0.00 C ATOM 377 CD1 TYR A 25 -15.995 -3.090 -7.869 1.00 0.00 C ATOM 378 CD2 TYR A 25 -14.545 -4.476 -9.257 1.00 0.00 C ATOM 379 CE1 TYR A 25 -17.103 -3.875 -8.244 1.00 0.00 C ATOM 380 CE2 TYR A 25 -15.652 -5.260 -9.631 1.00 0.00 C ATOM 381 CZ TYR A 25 -16.932 -4.959 -9.125 1.00 0.00 C ATOM 382 OH TYR A 25 -18.018 -5.728 -9.492 1.00 0.00 O ATOM 0 H TYR A 25 -11.851 -1.206 -6.711 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.913 -3.002 -5.908 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.799 -1.493 -7.978 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.720 -2.674 -8.694 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.127 -2.258 -7.194 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.564 -4.706 -9.646 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -18.084 -3.645 -7.855 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -15.520 -6.093 -10.306 1.00 0.00 H new ATOM 0 HH TYR A 25 -17.726 -6.434 -10.106 1.00 0.00 H new ATOM 392 N VAL A 26 -11.170 -4.385 -7.104 1.00 0.00 N ATOM 393 CA VAL A 26 -10.453 -5.687 -7.196 1.00 0.00 C ATOM 394 C VAL A 26 -10.024 -6.122 -5.793 1.00 0.00 C ATOM 395 O VAL A 26 -9.812 -7.289 -5.532 1.00 0.00 O ATOM 396 CB VAL A 26 -9.220 -5.526 -8.091 1.00 0.00 C ATOM 397 CG1 VAL A 26 -8.355 -6.786 -8.018 1.00 0.00 C ATOM 398 CG2 VAL A 26 -9.670 -5.303 -9.538 1.00 0.00 C ATOM 0 H VAL A 26 -10.636 -3.574 -7.417 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.110 -6.443 -7.625 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.637 -4.671 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.480 -6.664 -8.657 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.033 -6.947 -6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.934 -7.645 -8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.795 -5.188 -10.178 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.255 -6.160 -9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.281 -4.402 -9.594 1.00 0.00 H new ATOM 408 N ALA A 27 -9.905 -5.194 -4.884 1.00 0.00 N ATOM 409 CA ALA A 27 -9.503 -5.564 -3.502 1.00 0.00 C ATOM 410 C ALA A 27 -10.519 -6.563 -2.953 1.00 0.00 C ATOM 411 O ALA A 27 -10.203 -7.411 -2.145 1.00 0.00 O ATOM 412 CB ALA A 27 -9.483 -4.315 -2.619 1.00 0.00 C ATOM 0 H ALA A 27 -10.069 -4.199 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.507 -6.008 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.188 -4.590 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.770 -3.596 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.477 -3.868 -2.598 1.00 0.00 H new ATOM 418 N LYS A 28 -11.741 -6.470 -3.399 1.00 0.00 N ATOM 419 CA LYS A 28 -12.785 -7.414 -2.919 1.00 0.00 C ATOM 420 C LYS A 28 -12.525 -8.795 -3.522 1.00 0.00 C ATOM 421 O LYS A 28 -12.788 -9.812 -2.910 1.00 0.00 O ATOM 422 CB LYS A 28 -14.162 -6.904 -3.354 1.00 0.00 C ATOM 423 CG LYS A 28 -14.460 -5.570 -2.656 1.00 0.00 C ATOM 424 CD LYS A 28 -15.564 -4.824 -3.410 1.00 0.00 C ATOM 425 CE LYS A 28 -16.102 -3.688 -2.537 1.00 0.00 C ATOM 426 NZ LYS A 28 -17.092 -2.891 -3.315 1.00 0.00 N ATOM 0 H LYS A 28 -12.061 -5.778 -4.077 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.756 -7.484 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.188 -6.774 -4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.929 -7.637 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.768 -5.749 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.558 -4.960 -2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.173 -4.424 -4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.370 -5.511 -3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.570 -4.094 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.283 -3.049 -2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.458 -2.119 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.631 -2.492 -4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.878 -3.505 -3.608 1.00 0.00 H new ATOM 440 N LYS A 29 -12.001 -8.841 -4.719 1.00 0.00 N ATOM 441 CA LYS A 29 -11.714 -10.156 -5.359 1.00 0.00 C ATOM 442 C LYS A 29 -10.627 -10.877 -4.548 1.00 0.00 C ATOM 443 O LYS A 29 -10.183 -11.951 -4.901 1.00 0.00 O ATOM 444 CB LYS A 29 -11.241 -9.930 -6.810 1.00 0.00 C ATOM 445 CG LYS A 29 -12.439 -9.974 -7.772 1.00 0.00 C ATOM 446 CD LYS A 29 -13.421 -8.847 -7.436 1.00 0.00 C ATOM 447 CE LYS A 29 -14.627 -8.922 -8.375 1.00 0.00 C ATOM 448 NZ LYS A 29 -14.157 -9.118 -9.775 1.00 0.00 N ATOM 0 H LYS A 29 -11.760 -8.024 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.615 -10.769 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.736 -8.967 -6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.515 -10.694 -7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.094 -9.872 -8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.941 -10.939 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.748 -8.932 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.929 -7.880 -7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.279 -9.744 -8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.215 -8.007 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.889 -8.789 -10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.283 -8.575 -9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.970 -10.128 -9.940 1.00 0.00 H new ATOM 462 N GLN A 30 -10.200 -10.288 -3.462 1.00 0.00 N ATOM 463 CA GLN A 30 -9.148 -10.927 -2.616 1.00 0.00 C ATOM 464 C GLN A 30 -9.348 -10.484 -1.166 1.00 0.00 C ATOM 465 O GLN A 30 -9.666 -11.277 -0.302 1.00 0.00 O ATOM 466 CB GLN A 30 -7.763 -10.490 -3.102 1.00 0.00 C ATOM 467 CG GLN A 30 -7.465 -11.135 -4.457 1.00 0.00 C ATOM 468 CD GLN A 30 -5.988 -10.938 -4.802 1.00 0.00 C ATOM 469 OE1 GLN A 30 -5.153 -11.738 -4.432 1.00 0.00 O ATOM 470 NE2 GLN A 30 -5.629 -9.896 -5.500 1.00 0.00 N ATOM 0 H GLN A 30 -10.536 -9.387 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.223 -12.012 -2.686 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.723 -9.404 -3.189 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.004 -10.780 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.703 -12.198 -4.426 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.092 -10.690 -5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.331 -9.224 -5.811 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.647 -9.753 -5.735 1.00 0.00 H new ATOM 479 N GLY A 31 -9.183 -9.215 -0.895 1.00 0.00 N ATOM 480 CA GLY A 31 -9.381 -8.703 0.496 1.00 0.00 C ATOM 481 C GLY A 31 -8.038 -8.584 1.218 1.00 0.00 C ATOM 482 O GLY A 31 -7.899 -9.003 2.351 1.00 0.00 O ATOM 0 H GLY A 31 -8.918 -8.507 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.872 -7.730 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.039 -9.375 1.047 1.00 0.00 H new ATOM 486 N TRP A 32 -7.050 -8.006 0.589 1.00 0.00 N ATOM 487 CA TRP A 32 -5.732 -7.858 1.270 1.00 0.00 C ATOM 488 C TRP A 32 -5.952 -7.228 2.648 1.00 0.00 C ATOM 489 O TRP A 32 -6.693 -6.274 2.788 1.00 0.00 O ATOM 490 CB TRP A 32 -4.817 -6.942 0.453 1.00 0.00 C ATOM 491 CG TRP A 32 -4.796 -7.373 -0.978 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.435 -8.601 -1.416 1.00 0.00 C ATOM 493 CD2 TRP A 32 -5.100 -6.587 -2.165 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.521 -8.628 -2.798 1.00 0.00 N ATOM 495 CE2 TRP A 32 -4.922 -7.410 -3.309 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.519 -5.250 -2.361 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.148 -6.924 -4.605 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.746 -4.756 -3.663 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.561 -5.592 -4.782 1.00 0.00 C ATOM 0 H TRP A 32 -7.097 -7.633 -0.359 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.268 -8.840 1.367 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.165 -5.911 0.524 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.807 -6.967 0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.129 -9.426 -0.790 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.313 -9.448 -3.368 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.666 -4.603 -1.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.006 -7.568 -5.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.063 -3.733 -3.802 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.737 -5.209 -5.776 1.00 0.00 H new ATOM 510 N GLN A 33 -5.312 -7.738 3.666 1.00 0.00 N ATOM 511 CA GLN A 33 -5.486 -7.145 5.028 1.00 0.00 C ATOM 512 C GLN A 33 -5.323 -5.623 4.924 1.00 0.00 C ATOM 513 O GLN A 33 -4.249 -5.128 4.647 1.00 0.00 O ATOM 514 CB GLN A 33 -4.427 -7.725 6.001 1.00 0.00 C ATOM 515 CG GLN A 33 -3.236 -8.293 5.215 1.00 0.00 C ATOM 516 CD GLN A 33 -3.546 -9.721 4.750 1.00 0.00 C ATOM 517 OE1 GLN A 33 -4.684 -10.051 4.478 1.00 0.00 O ATOM 518 NE2 GLN A 33 -2.575 -10.587 4.652 1.00 0.00 N ATOM 0 H GLN A 33 -4.679 -8.536 3.616 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.477 -7.387 5.412 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.084 -6.946 6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.875 -8.508 6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.023 -7.660 4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.343 -8.291 5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.620 -10.310 4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.771 -11.540 4.347 1.00 0.00 H new ATOM 527 N ASN A 34 -6.384 -4.883 5.136 1.00 0.00 N ATOM 528 CA ASN A 34 -6.306 -3.390 5.045 1.00 0.00 C ATOM 529 C ASN A 34 -6.388 -2.779 6.447 1.00 0.00 C ATOM 530 O ASN A 34 -7.362 -2.944 7.153 1.00 0.00 O ATOM 531 CB ASN A 34 -7.472 -2.873 4.193 1.00 0.00 C ATOM 532 CG ASN A 34 -8.750 -3.633 4.552 1.00 0.00 C ATOM 533 OD1 ASN A 34 -9.720 -3.593 3.820 1.00 0.00 O ATOM 534 ND2 ASN A 34 -8.795 -4.330 5.653 1.00 0.00 N ATOM 0 H ASN A 34 -7.306 -5.251 5.370 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.360 -3.105 4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.613 -1.805 4.362 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.246 -3.001 3.134 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.643 -4.841 5.899 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.982 -4.365 6.268 1.00 0.00 H new ATOM 541 N ARG A 35 -5.371 -2.062 6.851 1.00 0.00 N ATOM 542 CA ARG A 35 -5.390 -1.428 8.201 1.00 0.00 C ATOM 543 C ARG A 35 -6.096 -0.073 8.110 1.00 0.00 C ATOM 544 O ARG A 35 -5.631 0.836 7.453 1.00 0.00 O ATOM 545 CB ARG A 35 -3.951 -1.227 8.689 1.00 0.00 C ATOM 546 CG ARG A 35 -3.954 -0.408 9.987 1.00 0.00 C ATOM 547 CD ARG A 35 -2.602 -0.551 10.694 1.00 0.00 C ATOM 548 NE ARG A 35 -2.281 -2.002 10.916 1.00 0.00 N ATOM 549 CZ ARG A 35 -3.079 -2.790 11.590 1.00 0.00 C ATOM 550 NH1 ARG A 35 -4.094 -2.304 12.249 1.00 0.00 N ATOM 551 NH2 ARG A 35 -2.825 -4.069 11.650 1.00 0.00 N ATOM 0 H ARG A 35 -4.528 -1.889 6.303 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.922 -2.070 8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.476 -2.193 8.859 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.366 -0.714 7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.150 0.641 9.765 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.755 -0.750 10.642 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.819 -0.086 10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.626 -0.026 11.649 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.417 -2.383 10.531 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.273 -1.300 12.243 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.709 -2.928 12.771 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.008 -4.450 11.173 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.444 -4.688 12.174 1.00 0.00 H new ATOM 565 N THR A 36 -7.223 0.070 8.759 1.00 0.00 N ATOM 566 CA THR A 36 -7.962 1.367 8.703 1.00 0.00 C ATOM 567 C THR A 36 -7.553 2.249 9.886 1.00 0.00 C ATOM 568 O THR A 36 -8.249 2.332 10.879 1.00 0.00 O ATOM 569 CB THR A 36 -9.467 1.094 8.769 1.00 0.00 C ATOM 570 OG1 THR A 36 -9.829 0.186 7.738 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.235 2.405 8.589 1.00 0.00 C ATOM 0 H THR A 36 -7.663 -0.655 9.325 1.00 0.00 H new ATOM 0 HA THR A 36 -7.721 1.880 7.772 1.00 0.00 H new ATOM 0 HB THR A 36 -9.714 0.661 9.738 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.792 0.009 7.781 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.306 2.209 8.636 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.958 3.101 9.381 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.988 2.841 7.621 1.00 0.00 H new ATOM 579 N ARG A 37 -6.429 2.910 9.786 1.00 0.00 N ATOM 580 CA ARG A 37 -5.969 3.793 10.903 1.00 0.00 C ATOM 581 C ARG A 37 -6.494 5.216 10.669 1.00 0.00 C ATOM 582 O ARG A 37 -6.004 5.936 9.823 1.00 0.00 O ATOM 583 CB ARG A 37 -4.430 3.799 10.941 1.00 0.00 C ATOM 584 CG ARG A 37 -3.934 4.114 12.361 1.00 0.00 C ATOM 585 CD ARG A 37 -4.418 5.503 12.798 1.00 0.00 C ATOM 586 NE ARG A 37 -5.792 5.395 13.366 1.00 0.00 N ATOM 587 CZ ARG A 37 -6.284 6.374 14.075 1.00 0.00 C ATOM 588 NH1 ARG A 37 -5.570 7.445 14.294 1.00 0.00 N ATOM 589 NH2 ARG A 37 -7.490 6.282 14.566 1.00 0.00 N ATOM 0 H ARG A 37 -5.807 2.877 8.978 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.350 3.422 11.854 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.048 2.830 10.621 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.045 4.540 10.241 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.299 3.359 13.057 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.845 4.075 12.390 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.738 5.920 13.541 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.417 6.184 11.947 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.348 4.556 13.200 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.627 7.517 13.911 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.955 8.210 14.848 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.048 5.445 14.396 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.875 7.047 15.120 1.00 0.00 H new ATOM 603 N ALA A 38 -7.488 5.621 11.412 1.00 0.00 N ATOM 604 CA ALA A 38 -8.050 6.992 11.240 1.00 0.00 C ATOM 605 C ALA A 38 -7.094 8.016 11.856 1.00 0.00 C ATOM 606 O ALA A 38 -7.450 8.737 12.765 1.00 0.00 O ATOM 607 CB ALA A 38 -9.408 7.078 11.940 1.00 0.00 C ATOM 0 H ALA A 38 -7.937 5.059 12.135 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.174 7.203 10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.819 8.080 11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.090 6.349 11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.284 6.867 13.002 1.00 0.00 H new ATOM 613 N GLY A 39 -5.879 8.076 11.372 1.00 0.00 N ATOM 614 CA GLY A 39 -4.881 9.048 11.928 1.00 0.00 C ATOM 615 C GLY A 39 -4.185 9.798 10.789 1.00 0.00 C ATOM 616 O GLY A 39 -3.864 10.963 10.911 1.00 0.00 O ATOM 0 H GLY A 39 -5.531 7.492 10.612 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.381 9.757 12.588 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.142 8.518 12.530 1.00 0.00 H new ATOM 620 N VAL A 40 -3.946 9.146 9.684 1.00 0.00 N ATOM 621 CA VAL A 40 -3.266 9.831 8.552 1.00 0.00 C ATOM 622 C VAL A 40 -3.943 11.177 8.277 1.00 0.00 C ATOM 623 O VAL A 40 -3.426 12.005 7.552 1.00 0.00 O ATOM 624 CB VAL A 40 -3.342 8.946 7.304 1.00 0.00 C ATOM 625 CG1 VAL A 40 -2.868 7.534 7.654 1.00 0.00 C ATOM 626 CG2 VAL A 40 -4.785 8.883 6.796 1.00 0.00 C ATOM 0 H VAL A 40 -4.192 8.170 9.518 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.221 10.006 8.809 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.705 9.368 6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.921 6.902 6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.839 7.574 8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.506 7.119 8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.831 8.252 5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.426 8.465 7.572 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.127 9.887 6.545 1.00 0.00 H new ATOM 636 N LYS A 41 -5.095 11.405 8.849 1.00 0.00 N ATOM 637 CA LYS A 41 -5.798 12.698 8.615 1.00 0.00 C ATOM 638 C LYS A 41 -6.996 12.813 9.562 1.00 0.00 C ATOM 639 O LYS A 41 -7.388 13.896 9.951 1.00 0.00 O ATOM 640 CB LYS A 41 -6.286 12.758 7.164 1.00 0.00 C ATOM 641 CG LYS A 41 -7.359 11.691 6.937 1.00 0.00 C ATOM 642 CD LYS A 41 -7.630 11.551 5.437 1.00 0.00 C ATOM 643 CE LYS A 41 -8.921 10.761 5.224 1.00 0.00 C ATOM 644 NZ LYS A 41 -9.238 10.711 3.768 1.00 0.00 N ATOM 0 H LYS A 41 -5.578 10.753 9.467 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.110 13.522 8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.691 13.747 6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.451 12.599 6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.031 10.737 7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.276 11.965 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.714 12.536 4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.796 11.044 4.952 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.811 9.751 5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.740 11.229 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.116 10.174 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.360 11.678 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.459 10.246 3.259 1.00 0.00 H new ATOM 658 N GLY A 42 -7.584 11.703 9.932 1.00 0.00 N ATOM 659 CA GLY A 42 -8.763 11.735 10.855 1.00 0.00 C ATOM 660 C GLY A 42 -10.044 11.515 10.047 1.00 0.00 C ATOM 661 O GLY A 42 -10.963 12.309 10.093 1.00 0.00 O ATOM 0 H GLY A 42 -7.298 10.771 9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.663 10.963 11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.807 12.692 11.374 1.00 0.00 H new ATOM 665 N GLY A 43 -10.110 10.442 9.309 1.00 0.00 N ATOM 666 CA GLY A 43 -11.329 10.168 8.496 1.00 0.00 C ATOM 667 C GLY A 43 -11.372 8.684 8.132 1.00 0.00 C ATOM 668 O GLY A 43 -11.887 8.302 7.100 1.00 0.00 O ATOM 0 H GLY A 43 -9.372 9.742 9.233 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.223 10.443 9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.321 10.776 7.591 1.00 0.00 H new ATOM 672 N LYS A 44 -10.832 7.843 8.972 1.00 0.00 N ATOM 673 CA LYS A 44 -10.838 6.384 8.676 1.00 0.00 C ATOM 674 C LYS A 44 -10.293 6.147 7.267 1.00 0.00 C ATOM 675 O LYS A 44 -11.035 5.910 6.335 1.00 0.00 O ATOM 676 CB LYS A 44 -12.273 5.848 8.767 1.00 0.00 C ATOM 677 CG LYS A 44 -12.744 5.826 10.235 1.00 0.00 C ATOM 678 CD LYS A 44 -12.325 4.513 10.908 1.00 0.00 C ATOM 679 CE LYS A 44 -12.778 4.522 12.370 1.00 0.00 C ATOM 680 NZ LYS A 44 -14.244 4.777 12.435 1.00 0.00 N ATOM 0 H LYS A 44 -10.387 8.105 9.851 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.210 5.865 9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.940 6.473 8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.320 4.843 8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.317 6.672 10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.828 5.935 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.768 3.666 10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.243 4.392 10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.543 3.567 12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.240 5.291 12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.609 4.472 13.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.426 5.793 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.723 4.244 11.681 1.00 0.00 H new ATOM 694 N ALA A 45 -8.999 6.209 7.105 1.00 0.00 N ATOM 695 CA ALA A 45 -8.396 5.987 5.759 1.00 0.00 C ATOM 696 C ALA A 45 -8.111 4.497 5.574 1.00 0.00 C ATOM 697 O ALA A 45 -7.657 3.829 6.479 1.00 0.00 O ATOM 698 CB ALA A 45 -7.085 6.768 5.655 1.00 0.00 C ATOM 0 H ALA A 45 -8.331 6.405 7.850 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.087 6.328 4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.643 6.607 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.283 7.831 5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.394 6.423 6.425 1.00 0.00 H new ATOM 704 N ILE A 46 -8.374 3.967 4.409 1.00 0.00 N ATOM 705 CA ILE A 46 -8.117 2.515 4.170 1.00 0.00 C ATOM 706 C ILE A 46 -6.680 2.332 3.668 1.00 0.00 C ATOM 707 O ILE A 46 -6.149 3.170 2.967 1.00 0.00 O ATOM 708 CB ILE A 46 -9.108 1.991 3.120 1.00 0.00 C ATOM 709 CG1 ILE A 46 -9.006 0.458 3.015 1.00 0.00 C ATOM 710 CG2 ILE A 46 -8.784 2.616 1.759 1.00 0.00 C ATOM 711 CD1 ILE A 46 -9.737 -0.216 4.186 1.00 0.00 C ATOM 0 H ILE A 46 -8.756 4.476 3.612 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.248 1.958 5.097 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.121 2.261 3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.436 0.124 2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.958 0.158 3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.486 2.246 1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.866 3.701 1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.769 2.347 1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.653 -1.299 4.093 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.289 0.103 5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.789 0.069 4.170 1.00 0.00 H new ATOM 723 N GLU A 47 -6.052 1.240 4.025 1.00 0.00 N ATOM 724 CA GLU A 47 -4.645 0.984 3.577 1.00 0.00 C ATOM 725 C GLU A 47 -4.528 -0.464 3.091 1.00 0.00 C ATOM 726 O GLU A 47 -5.459 -1.236 3.193 1.00 0.00 O ATOM 727 CB GLU A 47 -3.688 1.200 4.759 1.00 0.00 C ATOM 728 CG GLU A 47 -3.430 2.697 4.964 1.00 0.00 C ATOM 729 CD GLU A 47 -4.706 3.374 5.468 1.00 0.00 C ATOM 730 OE1 GLU A 47 -5.197 2.968 6.508 1.00 0.00 O ATOM 731 OE2 GLU A 47 -5.168 4.289 4.807 1.00 0.00 O ATOM 0 H GLU A 47 -6.455 0.509 4.611 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.387 1.667 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.114 0.770 5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.746 0.683 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.622 2.842 5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.110 3.153 4.027 1.00 0.00 H new ATOM 738 N TYR A 48 -3.387 -0.832 2.564 1.00 0.00 N ATOM 739 CA TYR A 48 -3.186 -2.232 2.070 1.00 0.00 C ATOM 740 C TYR A 48 -1.812 -2.733 2.520 1.00 0.00 C ATOM 741 O TYR A 48 -0.824 -2.038 2.405 1.00 0.00 O ATOM 742 CB TYR A 48 -3.258 -2.248 0.542 1.00 0.00 C ATOM 743 CG TYR A 48 -4.651 -1.862 0.102 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.737 -2.717 0.375 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.866 -0.648 -0.579 1.00 0.00 C ATOM 746 CE1 TYR A 48 -7.035 -2.359 -0.033 1.00 0.00 C ATOM 747 CE2 TYR A 48 -6.165 -0.290 -0.987 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.250 -1.146 -0.714 1.00 0.00 C ATOM 749 OH TYR A 48 -8.522 -0.793 -1.114 1.00 0.00 O ATOM 0 H TYR A 48 -2.579 -0.219 2.453 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.963 -2.879 2.477 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.528 -1.555 0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.007 -3.240 0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.573 -3.648 0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.034 0.008 -0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.867 -3.015 0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.330 0.641 -1.509 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.837 -0.039 -0.573 1.00 0.00 H new ATOM 759 N ASN A 49 -1.732 -3.932 3.025 1.00 0.00 N ATOM 760 CA ASN A 49 -0.409 -4.457 3.468 1.00 0.00 C ATOM 761 C ASN A 49 0.398 -4.879 2.235 1.00 0.00 C ATOM 762 O ASN A 49 -0.014 -5.728 1.471 1.00 0.00 O ATOM 763 CB ASN A 49 -0.618 -5.657 4.393 1.00 0.00 C ATOM 764 CG ASN A 49 0.736 -6.286 4.731 1.00 0.00 C ATOM 765 OD1 ASN A 49 1.770 -5.766 4.359 1.00 0.00 O ATOM 766 ND2 ASN A 49 0.773 -7.389 5.426 1.00 0.00 N ATOM 0 H ASN A 49 -2.519 -4.568 3.150 1.00 0.00 H new ATOM 0 HA ASN A 49 0.135 -3.684 4.011 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.122 -5.342 5.306 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.262 -6.393 3.911 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.670 -7.816 5.658 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.095 -7.825 5.738 1.00 0.00 H new ATOM 773 N ALA A 50 1.538 -4.278 2.033 1.00 0.00 N ATOM 774 CA ALA A 50 2.375 -4.620 0.846 1.00 0.00 C ATOM 775 C ALA A 50 2.691 -6.115 0.843 1.00 0.00 C ATOM 776 O ALA A 50 2.846 -6.724 -0.196 1.00 0.00 O ATOM 777 CB ALA A 50 3.680 -3.824 0.894 1.00 0.00 C ATOM 0 H ALA A 50 1.929 -3.560 2.643 1.00 0.00 H new ATOM 0 HA ALA A 50 1.826 -4.368 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.291 -4.074 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.456 -2.757 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.224 -4.072 1.805 1.00 0.00 H new ATOM 783 N ASN A 51 2.791 -6.707 1.996 1.00 0.00 N ATOM 784 CA ASN A 51 3.102 -8.160 2.058 1.00 0.00 C ATOM 785 C ASN A 51 1.901 -8.952 1.521 1.00 0.00 C ATOM 786 O ASN A 51 2.022 -10.103 1.150 1.00 0.00 O ATOM 787 CB ASN A 51 3.399 -8.537 3.523 1.00 0.00 C ATOM 788 CG ASN A 51 3.136 -10.027 3.764 1.00 0.00 C ATOM 789 OD1 ASN A 51 4.058 -10.808 3.900 1.00 0.00 O ATOM 790 ND2 ASN A 51 1.905 -10.449 3.822 1.00 0.00 N ATOM 0 H ASN A 51 2.671 -6.249 2.899 1.00 0.00 H new ATOM 0 HA ASN A 51 3.974 -8.397 1.448 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.437 -8.303 3.760 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.777 -7.940 4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.712 -11.438 3.982 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.134 -9.791 3.707 1.00 0.00 H new ATOM 797 N SER A 52 0.745 -8.345 1.479 1.00 0.00 N ATOM 798 CA SER A 52 -0.463 -9.062 0.969 1.00 0.00 C ATOM 799 C SER A 52 -0.628 -8.815 -0.534 1.00 0.00 C ATOM 800 O SER A 52 -1.352 -9.520 -1.209 1.00 0.00 O ATOM 801 CB SER A 52 -1.696 -8.554 1.709 1.00 0.00 C ATOM 802 OG SER A 52 -1.660 -9.024 3.049 1.00 0.00 O ATOM 0 H SER A 52 0.584 -7.383 1.776 1.00 0.00 H new ATOM 0 HA SER A 52 -0.345 -10.132 1.139 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.722 -7.464 1.693 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.602 -8.901 1.213 1.00 0.00 H new ATOM 0 HG SER A 52 -0.942 -8.569 3.536 1.00 0.00 H new ATOM 808 N LEU A 53 0.034 -7.823 -1.070 1.00 0.00 N ATOM 809 CA LEU A 53 -0.100 -7.547 -2.532 1.00 0.00 C ATOM 810 C LEU A 53 0.542 -8.707 -3.322 1.00 0.00 C ATOM 811 O LEU A 53 1.488 -9.302 -2.845 1.00 0.00 O ATOM 812 CB LEU A 53 0.634 -6.243 -2.876 1.00 0.00 C ATOM 813 CG LEU A 53 -0.119 -5.029 -2.306 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.706 -3.760 -2.562 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.501 -4.886 -2.983 1.00 0.00 C ATOM 0 H LEU A 53 0.658 -7.195 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.154 -7.454 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.646 -6.272 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.725 -6.146 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.265 -5.172 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.178 -2.895 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.676 -3.852 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.851 -3.630 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.021 -4.022 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.368 -4.749 -4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.090 -5.785 -2.802 1.00 0.00 H new ATOM 827 N PRO A 54 0.038 -9.002 -4.511 1.00 0.00 N ATOM 828 CA PRO A 54 0.613 -10.088 -5.329 1.00 0.00 C ATOM 829 C PRO A 54 2.094 -9.795 -5.603 1.00 0.00 C ATOM 830 O PRO A 54 2.692 -8.936 -4.987 1.00 0.00 O ATOM 831 CB PRO A 54 -0.213 -10.085 -6.640 1.00 0.00 C ATOM 832 CG PRO A 54 -1.217 -8.898 -6.553 1.00 0.00 C ATOM 833 CD PRO A 54 -1.112 -8.305 -5.130 1.00 0.00 C ATOM 0 HA PRO A 54 0.568 -11.059 -4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.440 -9.973 -7.505 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.744 -11.029 -6.762 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.982 -8.142 -7.302 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.233 -9.239 -6.752 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.950 -7.228 -5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.028 -8.473 -4.563 1.00 0.00 H new ATOM 841 N VAL A 55 2.685 -10.501 -6.528 1.00 0.00 N ATOM 842 CA VAL A 55 4.122 -10.265 -6.852 1.00 0.00 C ATOM 843 C VAL A 55 4.225 -9.191 -7.934 1.00 0.00 C ATOM 844 O VAL A 55 5.138 -8.388 -7.944 1.00 0.00 O ATOM 845 CB VAL A 55 4.740 -11.560 -7.373 1.00 0.00 C ATOM 846 CG1 VAL A 55 6.244 -11.364 -7.574 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.502 -12.683 -6.361 1.00 0.00 C ATOM 0 H VAL A 55 2.233 -11.234 -7.075 1.00 0.00 H new ATOM 0 HA VAL A 55 4.650 -9.938 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 55 4.278 -11.825 -8.324 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.685 -12.289 -7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.414 -10.565 -8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.707 -11.098 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.943 -13.608 -6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.962 -12.419 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.430 -12.824 -6.219 1.00 0.00 H new ATOM 857 N GLU A 56 3.295 -9.174 -8.848 1.00 0.00 N ATOM 858 CA GLU A 56 3.336 -8.156 -9.935 1.00 0.00 C ATOM 859 C GLU A 56 3.282 -6.755 -9.325 1.00 0.00 C ATOM 860 O GLU A 56 3.952 -5.846 -9.774 1.00 0.00 O ATOM 861 CB GLU A 56 2.134 -8.350 -10.868 1.00 0.00 C ATOM 862 CG GLU A 56 2.037 -9.820 -11.307 1.00 0.00 C ATOM 863 CD GLU A 56 1.323 -10.642 -10.229 1.00 0.00 C ATOM 864 OE1 GLU A 56 0.160 -10.371 -9.980 1.00 0.00 O ATOM 865 OE2 GLU A 56 1.952 -11.527 -9.673 1.00 0.00 O ATOM 0 H GLU A 56 2.508 -9.821 -8.889 1.00 0.00 H new ATOM 0 HA GLU A 56 4.259 -8.272 -10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.217 -8.053 -10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.235 -7.707 -11.742 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.495 -9.892 -12.250 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.035 -10.223 -11.482 1.00 0.00 H new ATOM 872 N ALA A 57 2.489 -6.571 -8.305 1.00 0.00 N ATOM 873 CA ALA A 57 2.393 -5.225 -7.672 1.00 0.00 C ATOM 874 C ALA A 57 3.567 -5.023 -6.715 1.00 0.00 C ATOM 875 O ALA A 57 4.214 -3.996 -6.721 1.00 0.00 O ATOM 876 CB ALA A 57 1.079 -5.119 -6.897 1.00 0.00 C ATOM 0 H ALA A 57 1.905 -7.293 -7.883 1.00 0.00 H new ATOM 0 HA ALA A 57 2.422 -4.458 -8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.008 -4.135 -6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.241 -5.260 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.050 -5.887 -6.124 1.00 0.00 H new ATOM 882 N LYS A 58 3.849 -5.994 -5.891 1.00 0.00 N ATOM 883 CA LYS A 58 4.982 -5.851 -4.936 1.00 0.00 C ATOM 884 C LYS A 58 6.231 -5.399 -5.694 1.00 0.00 C ATOM 885 O LYS A 58 6.868 -4.428 -5.339 1.00 0.00 O ATOM 886 CB LYS A 58 5.256 -7.198 -4.260 1.00 0.00 C ATOM 887 CG LYS A 58 6.489 -7.081 -3.350 1.00 0.00 C ATOM 888 CD LYS A 58 6.492 -8.219 -2.311 1.00 0.00 C ATOM 889 CE LYS A 58 5.659 -7.822 -1.083 1.00 0.00 C ATOM 890 NZ LYS A 58 6.492 -6.994 -0.167 1.00 0.00 N ATOM 0 H LYS A 58 3.344 -6.879 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 58 4.727 -5.110 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.389 -7.505 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.421 -7.967 -5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.398 -7.124 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.486 -6.116 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.086 -9.128 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.515 -8.442 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.776 -7.264 -1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.306 -8.714 -0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.930 -6.724 0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.321 -7.542 0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.807 -6.137 -0.664 1.00 0.00 H new ATOM 904 N ALA A 59 6.585 -6.096 -6.739 1.00 0.00 N ATOM 905 CA ALA A 59 7.792 -5.706 -7.521 1.00 0.00 C ATOM 906 C ALA A 59 7.661 -4.248 -7.967 1.00 0.00 C ATOM 907 O ALA A 59 8.544 -3.442 -7.753 1.00 0.00 O ATOM 908 CB ALA A 59 7.916 -6.607 -8.752 1.00 0.00 C ATOM 0 H ALA A 59 6.091 -6.918 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 59 8.680 -5.818 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.799 -6.322 -9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.009 -7.646 -8.435 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.028 -6.496 -9.375 1.00 0.00 H new ATOM 914 N ALA A 60 6.566 -3.902 -8.587 1.00 0.00 N ATOM 915 CA ALA A 60 6.386 -2.496 -9.046 1.00 0.00 C ATOM 916 C ALA A 60 6.342 -1.566 -7.833 1.00 0.00 C ATOM 917 O ALA A 60 6.642 -0.393 -7.926 1.00 0.00 O ATOM 918 CB ALA A 60 5.075 -2.377 -9.824 1.00 0.00 C ATOM 0 H ALA A 60 5.790 -4.531 -8.795 1.00 0.00 H new ATOM 0 HA ALA A 60 7.219 -2.216 -9.691 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.943 -1.348 -10.160 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.104 -3.040 -10.689 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.242 -2.658 -9.179 1.00 0.00 H new ATOM 924 N LEU A 61 5.973 -2.082 -6.694 1.00 0.00 N ATOM 925 CA LEU A 61 5.917 -1.227 -5.477 1.00 0.00 C ATOM 926 C LEU A 61 7.334 -0.760 -5.137 1.00 0.00 C ATOM 927 O LEU A 61 7.619 0.421 -5.106 1.00 0.00 O ATOM 928 CB LEU A 61 5.336 -2.050 -4.309 1.00 0.00 C ATOM 929 CG LEU A 61 4.793 -1.152 -3.170 1.00 0.00 C ATOM 930 CD1 LEU A 61 5.724 0.038 -2.889 1.00 0.00 C ATOM 931 CD2 LEU A 61 3.379 -0.646 -3.523 1.00 0.00 C ATOM 0 H LEU A 61 5.708 -3.057 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 61 5.282 -0.358 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.533 -2.687 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.108 -2.709 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 61 4.747 -1.757 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.308 0.643 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.707 -0.330 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.819 0.646 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.006 -0.016 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.419 -0.068 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.711 -1.497 -3.657 1.00 0.00 H new ATOM 943 N LEU A 62 8.222 -1.679 -4.872 1.00 0.00 N ATOM 944 CA LEU A 62 9.616 -1.286 -4.523 1.00 0.00 C ATOM 945 C LEU A 62 10.124 -0.243 -5.523 1.00 0.00 C ATOM 946 O LEU A 62 10.877 0.646 -5.177 1.00 0.00 O ATOM 947 CB LEU A 62 10.526 -2.517 -4.562 1.00 0.00 C ATOM 948 CG LEU A 62 9.849 -3.692 -3.847 1.00 0.00 C ATOM 949 CD1 LEU A 62 10.847 -4.844 -3.707 1.00 0.00 C ATOM 950 CD2 LEU A 62 9.382 -3.251 -2.454 1.00 0.00 C ATOM 0 H LEU A 62 8.043 -2.683 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 62 9.627 -0.861 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.744 -2.786 -5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.479 -2.290 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 62 8.988 -4.021 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.368 -5.681 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.178 -5.161 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.707 -4.511 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.901 -4.089 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.241 -2.920 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.671 -2.430 -2.551 1.00 0.00 H new ATOM 962 N LEU A 63 9.714 -0.338 -6.760 1.00 0.00 N ATOM 963 CA LEU A 63 10.172 0.657 -7.772 1.00 0.00 C ATOM 964 C LEU A 63 9.609 2.028 -7.390 1.00 0.00 C ATOM 965 O LEU A 63 10.244 3.047 -7.576 1.00 0.00 O ATOM 966 CB LEU A 63 9.654 0.252 -9.167 1.00 0.00 C ATOM 967 CG LEU A 63 10.626 -0.708 -9.883 1.00 0.00 C ATOM 968 CD1 LEU A 63 11.799 0.072 -10.497 1.00 0.00 C ATOM 969 CD2 LEU A 63 11.163 -1.775 -8.913 1.00 0.00 C ATOM 0 H LEU A 63 9.084 -1.059 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 63 11.261 0.694 -7.797 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.679 -0.225 -9.068 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.512 1.145 -9.775 1.00 0.00 H new ATOM 0 HG LEU A 63 10.074 -1.208 -10.679 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.475 -0.621 -10.998 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.418 0.793 -11.220 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.338 0.598 -9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.846 -2.439 -9.444 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.693 -1.289 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.331 -2.355 -8.513 1.00 0.00 H new ATOM 981 N ARG A 64 8.422 2.057 -6.852 1.00 0.00 N ATOM 982 CA ARG A 64 7.820 3.361 -6.453 1.00 0.00 C ATOM 983 C ARG A 64 8.559 3.902 -5.228 1.00 0.00 C ATOM 984 O ARG A 64 9.113 4.983 -5.252 1.00 0.00 O ATOM 985 CB ARG A 64 6.340 3.167 -6.094 1.00 0.00 C ATOM 986 CG ARG A 64 5.524 2.774 -7.343 1.00 0.00 C ATOM 987 CD ARG A 64 4.072 3.246 -7.187 1.00 0.00 C ATOM 988 NE ARG A 64 4.048 4.723 -6.993 1.00 0.00 N ATOM 989 CZ ARG A 64 2.934 5.384 -7.147 1.00 0.00 C ATOM 990 NH1 ARG A 64 1.843 4.752 -7.481 1.00 0.00 N ATOM 991 NH2 ARG A 64 2.911 6.676 -6.969 1.00 0.00 N ATOM 0 H ARG A 64 7.843 1.237 -6.671 1.00 0.00 H new ATOM 0 HA ARG A 64 7.903 4.062 -7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.244 2.393 -5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.940 4.087 -5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.967 3.220 -8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.552 1.693 -7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.493 2.975 -8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.606 2.749 -6.336 1.00 0.00 H new ATOM 0 HE ARG A 64 4.903 5.218 -6.740 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.861 3.742 -7.621 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.971 5.268 -7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.765 7.170 -6.709 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.039 7.192 -7.090 1.00 0.00 H new ATOM 1005 N GLN A 65 8.570 3.160 -4.155 1.00 0.00 N ATOM 1006 CA GLN A 65 9.268 3.628 -2.929 1.00 0.00 C ATOM 1007 C GLN A 65 10.721 3.972 -3.262 1.00 0.00 C ATOM 1008 O GLN A 65 11.116 5.121 -3.247 1.00 0.00 O ATOM 1009 CB GLN A 65 9.233 2.515 -1.879 1.00 0.00 C ATOM 1010 CG GLN A 65 7.834 2.435 -1.264 1.00 0.00 C ATOM 1011 CD GLN A 65 7.606 3.648 -0.361 1.00 0.00 C ATOM 1012 OE1 GLN A 65 7.946 3.624 0.805 1.00 0.00 O ATOM 1013 NE2 GLN A 65 7.039 4.715 -0.854 1.00 0.00 N ATOM 0 H GLN A 65 8.123 2.246 -4.076 1.00 0.00 H new ATOM 0 HA GLN A 65 8.771 4.517 -2.541 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.496 1.561 -2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.972 2.710 -1.102 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.080 2.407 -2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.730 1.515 -0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.754 4.735 -1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.881 5.529 -0.260 1.00 0.00 H new ATOM 1022 N GLY A 66 11.519 2.985 -3.556 1.00 0.00 N ATOM 1023 CA GLY A 66 12.948 3.254 -3.883 1.00 0.00 C ATOM 1024 C GLY A 66 13.713 3.540 -2.590 1.00 0.00 C ATOM 1025 O GLY A 66 14.407 2.690 -2.067 1.00 0.00 O ATOM 0 H GLY A 66 11.244 2.003 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.384 2.397 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.025 4.104 -4.561 1.00 0.00 H new ATOM 1029 N GLU A 67 13.585 4.727 -2.064 1.00 0.00 N ATOM 1030 CA GLU A 67 14.297 5.062 -0.800 1.00 0.00 C ATOM 1031 C GLU A 67 13.720 6.357 -0.218 1.00 0.00 C ATOM 1032 O GLU A 67 13.909 7.433 -0.747 1.00 0.00 O ATOM 1033 CB GLU A 67 15.799 5.222 -1.081 1.00 0.00 C ATOM 1034 CG GLU A 67 16.065 6.507 -1.887 1.00 0.00 C ATOM 1035 CD GLU A 67 17.350 6.355 -2.707 1.00 0.00 C ATOM 1036 OE1 GLU A 67 18.358 5.982 -2.129 1.00 0.00 O ATOM 1037 OE2 GLU A 67 17.303 6.614 -3.899 1.00 0.00 O ATOM 0 H GLU A 67 13.018 5.479 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 67 14.161 4.258 -0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 67 16.349 5.256 -0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 67 16.165 4.357 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.224 6.712 -2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.153 7.358 -1.212 1.00 0.00 H new ATOM 1044 N ILE A 68 13.000 6.251 0.871 1.00 0.00 N ATOM 1045 CA ILE A 68 12.390 7.461 1.511 1.00 0.00 C ATOM 1046 C ILE A 68 12.627 7.392 3.018 1.00 0.00 C ATOM 1047 O ILE A 68 12.980 8.369 3.650 1.00 0.00 O ATOM 1048 CB ILE A 68 10.874 7.486 1.260 1.00 0.00 C ATOM 1049 CG1 ILE A 68 10.559 7.361 -0.248 1.00 0.00 C ATOM 1050 CG2 ILE A 68 10.290 8.786 1.817 1.00 0.00 C ATOM 1051 CD1 ILE A 68 10.752 8.702 -0.973 1.00 0.00 C ATOM 0 H ILE A 68 12.806 5.371 1.349 1.00 0.00 H new ATOM 0 HA ILE A 68 12.844 8.356 1.087 1.00 0.00 H new ATOM 0 HB ILE A 68 10.420 6.635 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 68 11.207 6.607 -0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 68 9.533 7.019 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.215 8.807 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 68 10.483 8.842 2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 68 10.756 9.637 1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 68 10.522 8.580 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 68 10.085 9.448 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.785 9.030 -0.861 1.00 0.00 H new ATOM 1063 N GLU A 69 12.427 6.244 3.597 1.00 0.00 N ATOM 1064 CA GLU A 69 12.630 6.099 5.065 1.00 0.00 C ATOM 1065 C GLU A 69 14.100 6.345 5.413 1.00 0.00 C ATOM 1066 O GLU A 69 14.988 6.012 4.658 1.00 0.00 O ATOM 1067 CB GLU A 69 12.233 4.685 5.492 1.00 0.00 C ATOM 1068 CG GLU A 69 10.772 4.428 5.117 1.00 0.00 C ATOM 1069 CD GLU A 69 9.866 5.353 5.932 1.00 0.00 C ATOM 1070 OE1 GLU A 69 9.939 5.299 7.149 1.00 0.00 O ATOM 1071 OE2 GLU A 69 9.114 6.097 5.324 1.00 0.00 O ATOM 0 H GLU A 69 12.130 5.395 3.116 1.00 0.00 H new ATOM 0 HA GLU A 69 12.012 6.828 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.878 3.953 5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.370 4.567 6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.623 4.602 4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.514 3.387 5.309 1.00 0.00 H new ATOM 1078 N THR A 70 14.350 6.911 6.563 1.00 0.00 N ATOM 1079 CA THR A 70 15.743 7.179 7.007 1.00 0.00 C ATOM 1080 C THR A 70 16.483 8.055 5.984 1.00 0.00 C ATOM 1081 O THR A 70 16.717 9.221 6.222 1.00 0.00 O ATOM 1082 CB THR A 70 16.479 5.845 7.221 1.00 0.00 C ATOM 1083 OG1 THR A 70 17.166 5.472 6.036 1.00 0.00 O ATOM 1084 CG2 THR A 70 15.482 4.740 7.599 1.00 0.00 C ATOM 0 H THR A 70 13.631 7.204 7.224 1.00 0.00 H new ATOM 0 HA THR A 70 15.717 7.725 7.950 1.00 0.00 H new ATOM 0 HB THR A 70 17.196 5.973 8.032 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.632 4.623 6.182 1.00 0.00 H new ATOM 0 HG21 THR A 70 16.017 3.802 7.747 1.00 0.00 H new ATOM 0 HG22 THR A 70 14.968 5.014 8.520 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.752 4.619 6.798 1.00 0.00 H new ATOM 1092 N SER A 71 16.859 7.510 4.862 1.00 0.00 N ATOM 1093 CA SER A 71 17.588 8.315 3.839 1.00 0.00 C ATOM 1094 C SER A 71 16.838 9.623 3.566 1.00 0.00 C ATOM 1095 O SER A 71 16.029 9.709 2.664 1.00 0.00 O ATOM 1096 CB SER A 71 17.686 7.511 2.544 1.00 0.00 C ATOM 1097 OG SER A 71 18.600 8.148 1.661 1.00 0.00 O ATOM 0 H SER A 71 16.693 6.537 4.607 1.00 0.00 H new ATOM 0 HA SER A 71 18.586 8.547 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.018 6.495 2.758 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.705 7.434 2.076 1.00 0.00 H new ATOM 0 HG SER A 71 18.665 7.633 0.830 1.00 0.00 H new ATOM 1103 N LEU A 72 17.104 10.645 4.340 1.00 0.00 N ATOM 1104 CA LEU A 72 16.413 11.955 4.130 1.00 0.00 C ATOM 1105 C LEU A 72 17.357 13.088 4.538 1.00 0.00 C ATOM 1106 O LEU A 72 18.546 12.892 4.694 1.00 0.00 O ATOM 1107 CB LEU A 72 15.147 12.022 4.996 1.00 0.00 C ATOM 1108 CG LEU A 72 14.043 11.116 4.425 1.00 0.00 C ATOM 1109 CD1 LEU A 72 12.855 11.119 5.393 1.00 0.00 C ATOM 1110 CD2 LEU A 72 13.585 11.628 3.041 1.00 0.00 C ATOM 0 H LEU A 72 17.772 10.629 5.111 1.00 0.00 H new ATOM 0 HA LEU A 72 16.138 12.054 3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 72 15.382 11.717 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 72 14.790 13.051 5.046 1.00 0.00 H new ATOM 0 HG LEU A 72 14.431 10.104 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.064 10.480 5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.176 10.743 6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.478 12.136 5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.804 10.975 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 72 13.196 12.641 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 72 14.432 11.629 2.355 1.00 0.00 H new ATOM 1122 N GLY A 73 16.837 14.272 4.714 1.00 0.00 N ATOM 1123 CA GLY A 73 17.705 15.415 5.111 1.00 0.00 C ATOM 1124 C GLY A 73 18.561 15.843 3.920 1.00 0.00 C ATOM 1125 O GLY A 73 19.160 16.899 3.923 1.00 0.00 O ATOM 0 H GLY A 73 15.849 14.497 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.092 16.250 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 73 18.343 15.128 5.947 1.00 0.00 H new ATOM 1129 N TYR A 74 18.628 15.024 2.904 1.00 0.00 N ATOM 1130 CA TYR A 74 19.446 15.373 1.710 1.00 0.00 C ATOM 1131 C TYR A 74 20.863 15.726 2.161 1.00 0.00 C ATOM 1132 O TYR A 74 21.676 16.193 1.388 1.00 0.00 O ATOM 1133 CB TYR A 74 18.814 16.569 0.990 1.00 0.00 C ATOM 1134 CG TYR A 74 17.621 16.109 0.182 1.00 0.00 C ATOM 1135 CD1 TYR A 74 16.362 15.976 0.798 1.00 0.00 C ATOM 1136 CD2 TYR A 74 17.769 15.817 -1.187 1.00 0.00 C ATOM 1137 CE1 TYR A 74 15.251 15.551 0.046 1.00 0.00 C ATOM 1138 CE2 TYR A 74 16.659 15.393 -1.941 1.00 0.00 C ATOM 1139 CZ TYR A 74 15.400 15.259 -1.325 1.00 0.00 C ATOM 1140 OH TYR A 74 14.311 14.844 -2.063 1.00 0.00 O ATOM 0 H TYR A 74 18.149 14.125 2.851 1.00 0.00 H new ATOM 0 HA TYR A 74 19.484 14.525 1.026 1.00 0.00 H new ATOM 0 HB2 TYR A 74 18.505 17.320 1.716 1.00 0.00 H new ATOM 0 HB3 TYR A 74 19.548 17.041 0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 74 16.249 16.200 1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 74 18.735 15.918 -1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 74 14.285 15.449 0.519 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.773 15.170 -2.992 1.00 0.00 H new ATOM 0 HH TYR A 74 14.585 14.686 -2.990 1.00 0.00 H new ATOM 1150 N PHE A 75 21.162 15.501 3.410 1.00 0.00 N ATOM 1151 CA PHE A 75 22.523 15.813 3.928 1.00 0.00 C ATOM 1152 C PHE A 75 22.809 14.921 5.136 1.00 0.00 C ATOM 1153 O PHE A 75 23.731 15.162 5.893 1.00 0.00 O ATOM 1154 CB PHE A 75 22.587 17.283 4.349 1.00 0.00 C ATOM 1155 CG PHE A 75 24.012 17.649 4.692 1.00 0.00 C ATOM 1156 CD1 PHE A 75 24.936 17.915 3.664 1.00 0.00 C ATOM 1157 CD2 PHE A 75 24.417 17.722 6.039 1.00 0.00 C ATOM 1158 CE1 PHE A 75 26.265 18.256 3.983 1.00 0.00 C ATOM 1159 CE2 PHE A 75 25.745 18.062 6.358 1.00 0.00 C ATOM 1160 CZ PHE A 75 26.670 18.329 5.329 1.00 0.00 C ATOM 0 H PHE A 75 20.518 15.112 4.098 1.00 0.00 H new ATOM 0 HA PHE A 75 23.265 15.632 3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 75 22.221 17.919 3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 75 21.940 17.454 5.209 1.00 0.00 H new ATOM 0 HD1 PHE A 75 24.626 17.858 2.631 1.00 0.00 H new ATOM 0 HD2 PHE A 75 23.708 17.517 6.828 1.00 0.00 H new ATOM 0 HE1 PHE A 75 26.974 18.462 3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 75 26.055 18.118 7.391 1.00 0.00 H new ATOM 0 HZ PHE A 75 27.689 18.590 5.573 1.00 0.00 H new ATOM 1170 N GLU A 76 22.021 13.890 5.325 1.00 0.00 N ATOM 1171 CA GLU A 76 22.234 12.968 6.486 1.00 0.00 C ATOM 1172 C GLU A 76 22.088 11.520 6.018 1.00 0.00 C ATOM 1173 O GLU A 76 21.887 11.252 4.851 1.00 0.00 O ATOM 1174 CB GLU A 76 21.188 13.260 7.565 1.00 0.00 C ATOM 1175 CG GLU A 76 21.305 14.718 8.014 1.00 0.00 C ATOM 1176 CD GLU A 76 22.665 14.940 8.678 1.00 0.00 C ATOM 1177 OE1 GLU A 76 23.176 14.001 9.267 1.00 0.00 O ATOM 1178 OE2 GLU A 76 23.173 16.046 8.588 1.00 0.00 O ATOM 1179 OXT GLU A 76 22.188 10.583 6.921 1.00 0.00 O ATOM 0 H GLU A 76 21.235 13.646 4.722 1.00 0.00 H new ATOM 0 HA GLU A 76 23.233 13.121 6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.188 13.068 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.333 12.594 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.194 15.383 7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.504 14.960 8.712 1.00 0.00 H new TER 1186 GLU A 76