USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 576 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0978 (180deg=-0.112) USER MOD Single : A 2 ASN : amide:sc=-0.00524 K(o=-0.0052,f=-0.82) USER MOD Single : A 3 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.25) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 2.39 (180deg=2.39) USER MOD Single : A 13 TYR OH : rot 128:sc= 0.0943 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.2!) USER MOD Single : A 21 CYS SG : rot 180:sc= -0.346 USER MOD Single : A 24 MET CE :methyl 151:sc= -0.997 (180deg=-2.51!) USER MOD Single : A 27 SER OG : rot 82:sc= 0.296 USER MOD Single : A 32 GLN : amide:sc= -0.0584 K(o=-0.058,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0291) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.736 K(o=-0.74,f=-3.1) USER MOD Single : A 47 ASN : amide:sc= 0.787 K(o=0.79,f=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 51 THR OG1 : rot 64:sc= 0.204 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 65 ASN : amide:sc= -0.0549 K(o=-0.055,f=-1.2) USER MOD Single : A 68 LYS NZ :NH3+ 151:sc= 0.016 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -8.49! C(o=-8.5!,f=-12!) USER MOD Single : A 73 TYR OH : rot 60:sc= 1.04 USER MOD Single : A 77 SER OG : rot 180:sc= -0.124 USER MOD Single : A 83 TYR OH : rot 140:sc= -0.0216 USER MOD Single : A 85 SER OG : rot 73:sc= 0.47 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.473 28.562 -1.318 1.00 74.25 N ATOM 2 CA MET A 1 -1.293 29.134 -0.633 1.00 31.43 C ATOM 3 C MET A 1 -0.356 28.021 -0.186 1.00 61.21 C ATOM 4 O MET A 1 -0.723 26.845 -0.215 1.00 33.12 O ATOM 5 CB MET A 1 -1.723 29.970 0.575 1.00 14.35 C ATOM 6 CG MET A 1 -2.517 31.212 0.205 1.00 1.42 C ATOM 7 SD MET A 1 -3.021 32.176 1.641 1.00 51.44 S ATOM 8 CE MET A 1 -3.888 33.536 0.851 1.00 64.12 C ATOM 0 H1 MET A 1 -2.538 28.951 -2.280 1.00 74.25 H new ATOM 0 H2 MET A 1 -2.378 27.528 -1.368 1.00 74.25 H new ATOM 0 H3 MET A 1 -3.334 28.805 -0.787 1.00 74.25 H new ATOM 0 HA MET A 1 -0.769 29.782 -1.335 1.00 31.43 H new ATOM 0 HB2 MET A 1 -2.324 29.350 1.240 1.00 14.35 H new ATOM 0 HB3 MET A 1 -0.836 30.269 1.133 1.00 14.35 H new ATOM 0 HG2 MET A 1 -1.916 31.838 -0.454 1.00 1.42 H new ATOM 0 HG3 MET A 1 -3.403 30.917 -0.357 1.00 1.42 H new ATOM 0 HE1 MET A 1 -4.261 34.221 1.612 1.00 64.12 H new ATOM 0 HE2 MET A 1 -3.205 34.067 0.188 1.00 64.12 H new ATOM 0 HE3 MET A 1 -4.726 33.146 0.272 1.00 64.12 H new ATOM 15 N ASN A 2 0.844 28.388 0.230 1.00 75.04 N ATOM 16 CA ASN A 2 1.840 27.405 0.627 1.00 43.10 C ATOM 17 C ASN A 2 1.645 26.963 2.073 1.00 34.20 C ATOM 18 O ASN A 2 2.266 27.500 2.986 1.00 63.44 O ATOM 19 CB ASN A 2 3.258 27.954 0.434 1.00 74.15 C ATOM 20 CG ASN A 2 4.340 26.951 0.804 1.00 32.22 C ATOM 21 OD1 ASN A 2 4.168 25.741 0.649 1.00 41.31 O ATOM 22 ND2 ASN A 2 5.464 27.449 1.302 1.00 25.24 N ATOM 0 H ASN A 2 1.153 29.357 0.302 1.00 75.04 H new ATOM 0 HA ASN A 2 1.708 26.535 -0.016 1.00 43.10 H new ATOM 0 HB2 ASN A 2 3.388 28.252 -0.606 1.00 74.15 H new ATOM 0 HB3 ASN A 2 3.380 28.851 1.040 1.00 74.15 H new ATOM 0 HD21 ASN A 2 6.223 26.824 1.572 1.00 25.24 H new ATOM 0 HD22 ASN A 2 5.569 28.457 1.415 1.00 25.24 H new ATOM 28 N ASN A 3 0.744 26.019 2.279 1.00 21.03 N ATOM 29 CA ASN A 3 0.659 25.322 3.552 1.00 23.21 C ATOM 30 C ASN A 3 1.288 23.945 3.378 1.00 1.51 C ATOM 31 O ASN A 3 0.628 22.966 3.041 1.00 35.42 O ATOM 32 CB ASN A 3 -0.791 25.246 4.072 1.00 53.14 C ATOM 33 CG ASN A 3 -1.788 24.707 3.056 1.00 71.02 C ATOM 34 OD1 ASN A 3 -2.280 25.444 2.202 1.00 54.22 O ATOM 35 ND2 ASN A 3 -2.126 23.433 3.167 1.00 1.04 N ATOM 0 H ASN A 3 0.062 25.717 1.583 1.00 21.03 H new ATOM 0 HA ASN A 3 1.207 25.875 4.315 1.00 23.21 H new ATOM 0 HB2 ASN A 3 -0.815 24.613 4.959 1.00 53.14 H new ATOM 0 HB3 ASN A 3 -1.107 26.242 4.382 1.00 53.14 H new ATOM 0 HD21 ASN A 3 -2.816 23.031 2.532 1.00 1.04 H new ATOM 0 HD22 ASN A 3 -1.697 22.852 3.888 1.00 1.04 H new ATOM 41 N GLN A 4 2.597 23.902 3.566 1.00 54.31 N ATOM 42 CA GLN A 4 3.392 22.756 3.162 1.00 71.13 C ATOM 43 C GLN A 4 3.179 21.557 4.077 1.00 31.43 C ATOM 44 O GLN A 4 3.532 21.584 5.258 1.00 33.41 O ATOM 45 CB GLN A 4 4.874 23.124 3.126 1.00 64.22 C ATOM 46 CG GLN A 4 5.753 22.026 2.552 1.00 73.12 C ATOM 47 CD GLN A 4 7.221 22.403 2.548 1.00 30.14 C ATOM 48 OE1 GLN A 4 7.945 22.135 3.503 1.00 41.23 O ATOM 49 NE2 GLN A 4 7.666 23.034 1.473 1.00 44.13 N ATOM 0 H GLN A 4 3.134 24.654 3.999 1.00 54.31 H new ATOM 0 HA GLN A 4 3.062 22.472 2.163 1.00 71.13 H new ATOM 0 HB2 GLN A 4 5.002 24.029 2.533 1.00 64.22 H new ATOM 0 HB3 GLN A 4 5.208 23.356 4.137 1.00 64.22 H new ATOM 0 HG2 GLN A 4 5.617 21.114 3.133 1.00 73.12 H new ATOM 0 HG3 GLN A 4 5.435 21.805 1.533 1.00 73.12 H new ATOM 0 HE21 GLN A 4 7.031 23.237 0.701 1.00 44.13 H new ATOM 0 HE22 GLN A 4 8.644 23.317 1.416 1.00 44.13 H new ATOM 56 N VAL A 5 2.590 20.510 3.518 1.00 32.21 N ATOM 57 CA VAL A 5 2.525 19.225 4.182 1.00 21.31 C ATOM 58 C VAL A 5 3.407 18.229 3.461 1.00 44.42 C ATOM 59 O VAL A 5 3.578 18.295 2.243 1.00 22.31 O ATOM 60 CB VAL A 5 1.094 18.661 4.278 1.00 72.55 C ATOM 61 CG1 VAL A 5 0.363 19.284 5.456 1.00 14.35 C ATOM 62 CG2 VAL A 5 0.325 18.889 2.982 1.00 0.45 C ATOM 0 H VAL A 5 2.148 20.530 2.599 1.00 32.21 H new ATOM 0 HA VAL A 5 2.876 19.385 5.201 1.00 21.31 H new ATOM 0 HB VAL A 5 1.160 17.585 4.438 1.00 72.55 H new ATOM 0 HG11 VAL A 5 -0.647 18.878 5.514 1.00 14.35 H new ATOM 0 HG12 VAL A 5 0.899 19.057 6.378 1.00 14.35 H new ATOM 0 HG13 VAL A 5 0.312 20.365 5.323 1.00 14.35 H new ATOM 0 HG21 VAL A 5 -0.681 18.481 3.079 1.00 0.45 H new ATOM 0 HG22 VAL A 5 0.265 19.958 2.778 1.00 0.45 H new ATOM 0 HG23 VAL A 5 0.841 18.391 2.161 1.00 0.45 H new ATOM 72 N GLU A 6 3.963 17.321 4.224 1.00 33.03 N ATOM 73 CA GLU A 6 4.883 16.335 3.702 1.00 4.31 C ATOM 74 C GLU A 6 4.124 15.097 3.226 1.00 32.11 C ATOM 75 O GLU A 6 2.964 14.898 3.595 1.00 15.04 O ATOM 76 CB GLU A 6 5.912 15.992 4.775 1.00 24.22 C ATOM 77 CG GLU A 6 5.307 15.657 6.124 1.00 22.34 C ATOM 78 CD GLU A 6 6.349 15.665 7.219 1.00 64.21 C ATOM 79 OE1 GLU A 6 6.971 16.726 7.438 1.00 61.12 O ATOM 80 OE2 GLU A 6 6.559 14.616 7.862 1.00 21.22 O ATOM 0 H GLU A 6 3.792 17.243 5.226 1.00 33.03 H new ATOM 0 HA GLU A 6 5.409 16.740 2.838 1.00 4.31 H new ATOM 0 HB2 GLU A 6 6.508 15.145 4.435 1.00 24.22 H new ATOM 0 HB3 GLU A 6 6.594 16.834 4.893 1.00 24.22 H new ATOM 0 HG2 GLU A 6 4.524 16.377 6.361 1.00 22.34 H new ATOM 0 HG3 GLU A 6 4.834 14.676 6.078 1.00 22.34 H new ATOM 85 N PRO A 7 4.757 14.259 2.392 1.00 31.32 N ATOM 86 CA PRO A 7 4.085 13.130 1.754 1.00 13.32 C ATOM 87 C PRO A 7 3.949 11.917 2.670 1.00 74.13 C ATOM 88 O PRO A 7 4.573 11.838 3.731 1.00 71.23 O ATOM 89 CB PRO A 7 5.000 12.814 0.573 1.00 72.31 C ATOM 90 CG PRO A 7 6.363 13.190 1.044 1.00 61.12 C ATOM 91 CD PRO A 7 6.181 14.335 2.011 1.00 43.45 C ATOM 0 HA PRO A 7 3.059 13.372 1.475 1.00 13.32 H new ATOM 0 HB2 PRO A 7 4.950 11.759 0.304 1.00 72.31 H new ATOM 0 HB3 PRO A 7 4.715 13.382 -0.312 1.00 72.31 H new ATOM 0 HG2 PRO A 7 6.852 12.346 1.530 1.00 61.12 H new ATOM 0 HG3 PRO A 7 6.995 13.486 0.207 1.00 61.12 H new ATOM 0 HD2 PRO A 7 6.832 14.232 2.879 1.00 43.45 H new ATOM 0 HD3 PRO A 7 6.419 15.292 1.546 1.00 43.45 H new ATOM 96 N ARG A 8 3.125 10.976 2.246 1.00 61.31 N ATOM 97 CA ARG A 8 2.899 9.754 2.998 1.00 13.42 C ATOM 98 C ARG A 8 3.573 8.591 2.291 1.00 1.01 C ATOM 99 O ARG A 8 4.312 8.798 1.330 1.00 34.23 O ATOM 100 CB ARG A 8 1.402 9.507 3.141 1.00 12.32 C ATOM 101 CG ARG A 8 0.686 10.604 3.909 1.00 72.34 C ATOM 102 CD ARG A 8 -0.812 10.400 3.884 1.00 60.22 C ATOM 103 NE ARG A 8 -1.520 11.366 4.720 1.00 44.11 N ATOM 104 CZ ARG A 8 -2.011 11.073 5.924 1.00 12.21 C ATOM 105 NH1 ARG A 8 -1.814 9.864 6.444 1.00 53.41 N ATOM 106 NH2 ARG A 8 -2.696 11.984 6.603 1.00 51.14 N ATOM 0 H ARG A 8 2.596 11.036 1.376 1.00 61.31 H new ATOM 0 HA ARG A 8 3.328 9.851 3.995 1.00 13.42 H new ATOM 0 HB2 ARG A 8 0.959 9.418 2.149 1.00 12.32 H new ATOM 0 HB3 ARG A 8 1.244 8.555 3.648 1.00 12.32 H new ATOM 0 HG2 ARG A 8 1.037 10.618 4.941 1.00 72.34 H new ATOM 0 HG3 ARG A 8 0.931 11.574 3.476 1.00 72.34 H new ATOM 0 HD2 ARG A 8 -1.170 10.481 2.858 1.00 60.22 H new ATOM 0 HD3 ARG A 8 -1.044 9.391 4.224 1.00 60.22 H new ATOM 0 HE ARG A 8 -1.645 12.314 4.364 1.00 44.11 H new ATOM 0 HH11 ARG A 8 -1.288 9.164 5.921 1.00 53.41 H new ATOM 0 HH12 ARG A 8 -2.189 9.638 7.365 1.00 53.41 H new ATOM 0 HH21 ARG A 8 -2.848 12.910 6.204 1.00 51.14 H new ATOM 0 HH22 ARG A 8 -3.071 11.758 7.524 1.00 51.14 H new ATOM 117 N LYS A 9 3.333 7.372 2.749 1.00 24.21 N ATOM 118 CA LYS A 9 3.991 6.226 2.149 1.00 43.33 C ATOM 119 C LYS A 9 3.134 4.965 2.226 1.00 74.02 C ATOM 120 O LYS A 9 2.466 4.710 3.231 1.00 52.31 O ATOM 121 CB LYS A 9 5.352 5.993 2.813 1.00 41.51 C ATOM 122 CG LYS A 9 6.115 4.820 2.224 1.00 52.44 C ATOM 123 CD LYS A 9 7.619 5.014 2.321 1.00 55.11 C ATOM 124 CE LYS A 9 8.352 3.907 1.586 1.00 52.34 C ATOM 125 NZ LYS A 9 9.776 4.247 1.321 1.00 43.24 N ATOM 0 H LYS A 9 2.700 7.154 3.519 1.00 24.21 H new ATOM 0 HA LYS A 9 4.140 6.448 1.092 1.00 43.33 H new ATOM 0 HB2 LYS A 9 5.955 6.896 2.715 1.00 41.51 H new ATOM 0 HB3 LYS A 9 5.204 5.822 3.879 1.00 41.51 H new ATOM 0 HG2 LYS A 9 5.833 3.905 2.745 1.00 52.44 H new ATOM 0 HG3 LYS A 9 5.832 4.691 1.179 1.00 52.44 H new ATOM 0 HD2 LYS A 9 7.894 5.981 1.899 1.00 55.11 H new ATOM 0 HD3 LYS A 9 7.922 5.025 3.368 1.00 55.11 H new ATOM 0 HE2 LYS A 9 8.304 2.990 2.174 1.00 52.34 H new ATOM 0 HE3 LYS A 9 7.847 3.706 0.641 1.00 52.34 H new ATOM 0 HZ1 LYS A 9 10.233 3.460 0.818 1.00 43.24 H new ATOM 0 HZ2 LYS A 9 9.825 5.106 0.737 1.00 43.24 H new ATOM 0 HZ3 LYS A 9 10.267 4.413 2.223 1.00 43.24 H new ATOM 135 N LEU A 10 3.148 4.201 1.140 1.00 3.25 N ATOM 136 CA LEU A 10 2.511 2.892 1.087 1.00 51.12 C ATOM 137 C LEU A 10 3.555 1.795 0.933 1.00 0.22 C ATOM 138 O LEU A 10 4.442 1.875 0.075 1.00 51.45 O ATOM 139 CB LEU A 10 1.534 2.813 -0.087 1.00 21.03 C ATOM 140 CG LEU A 10 0.232 3.592 0.075 1.00 52.11 C ATOM 141 CD1 LEU A 10 -0.560 3.544 -1.220 1.00 75.12 C ATOM 142 CD2 LEU A 10 -0.592 3.020 1.220 1.00 64.52 C ATOM 0 H LEU A 10 3.603 4.474 0.269 1.00 3.25 H new ATOM 0 HA LEU A 10 1.967 2.750 2.021 1.00 51.12 H new ATOM 0 HB2 LEU A 10 2.042 3.174 -0.982 1.00 21.03 H new ATOM 0 HB3 LEU A 10 1.289 1.765 -0.260 1.00 21.03 H new ATOM 0 HG LEU A 10 0.469 4.630 0.309 1.00 52.11 H new ATOM 0 HD11 LEU A 10 -1.489 4.102 -1.099 1.00 75.12 H new ATOM 0 HD12 LEU A 10 0.028 3.988 -2.023 1.00 75.12 H new ATOM 0 HD13 LEU A 10 -0.789 2.508 -1.468 1.00 75.12 H new ATOM 0 HD21 LEU A 10 -1.517 3.587 1.321 1.00 64.52 H new ATOM 0 HD22 LEU A 10 -0.827 1.976 1.013 1.00 64.52 H new ATOM 0 HD23 LEU A 10 -0.022 3.086 2.147 1.00 64.52 H new ATOM 153 N VAL A 11 3.462 0.781 1.772 1.00 14.52 N ATOM 154 CA VAL A 11 4.286 -0.403 1.619 1.00 45.11 C ATOM 155 C VAL A 11 3.427 -1.544 1.115 1.00 73.44 C ATOM 156 O VAL A 11 2.333 -1.772 1.631 1.00 42.44 O ATOM 157 CB VAL A 11 4.960 -0.844 2.936 1.00 63.32 C ATOM 158 CG1 VAL A 11 5.654 -2.187 2.747 1.00 73.01 C ATOM 159 CG2 VAL A 11 5.948 0.202 3.418 1.00 35.14 C ATOM 0 H VAL A 11 2.824 0.753 2.567 1.00 14.52 H new ATOM 0 HA VAL A 11 5.076 -0.151 0.911 1.00 45.11 H new ATOM 0 HB VAL A 11 4.187 -0.952 3.697 1.00 63.32 H new ATOM 0 HG11 VAL A 11 6.126 -2.488 3.683 1.00 73.01 H new ATOM 0 HG12 VAL A 11 4.920 -2.938 2.453 1.00 73.01 H new ATOM 0 HG13 VAL A 11 6.413 -2.098 1.970 1.00 73.01 H new ATOM 0 HG21 VAL A 11 6.409 -0.133 4.347 1.00 35.14 H new ATOM 0 HG22 VAL A 11 6.720 0.349 2.663 1.00 35.14 H new ATOM 0 HG23 VAL A 11 5.426 1.143 3.591 1.00 35.14 H new ATOM 169 N VAL A 12 3.902 -2.252 0.113 1.00 12.32 N ATOM 170 CA VAL A 12 3.189 -3.407 -0.367 1.00 11.41 C ATOM 171 C VAL A 12 3.768 -4.667 0.271 1.00 1.34 C ATOM 172 O VAL A 12 4.873 -5.099 -0.073 1.00 71.25 O ATOM 173 CB VAL A 12 3.226 -3.506 -1.909 1.00 34.45 C ATOM 174 CG1 VAL A 12 2.236 -4.545 -2.410 1.00 11.31 C ATOM 175 CG2 VAL A 12 2.951 -2.152 -2.544 1.00 73.31 C ATOM 0 H VAL A 12 4.772 -2.048 -0.379 1.00 12.32 H new ATOM 0 HA VAL A 12 2.142 -3.305 -0.080 1.00 11.41 H new ATOM 0 HB VAL A 12 4.227 -3.823 -2.202 1.00 34.45 H new ATOM 0 HG11 VAL A 12 2.281 -4.596 -3.498 1.00 11.31 H new ATOM 0 HG12 VAL A 12 2.487 -5.519 -1.991 1.00 11.31 H new ATOM 0 HG13 VAL A 12 1.229 -4.266 -2.101 1.00 11.31 H new ATOM 0 HG21 VAL A 12 2.982 -2.246 -3.629 1.00 73.31 H new ATOM 0 HG22 VAL A 12 1.966 -1.800 -2.238 1.00 73.31 H new ATOM 0 HG23 VAL A 12 3.708 -1.438 -2.220 1.00 73.31 H new ATOM 185 N TYR A 13 3.027 -5.230 1.229 1.00 25.23 N ATOM 186 CA TYR A 13 3.440 -6.462 1.907 1.00 0.12 C ATOM 187 C TYR A 13 3.160 -7.660 1.031 1.00 65.43 C ATOM 188 O TYR A 13 2.032 -8.151 0.995 1.00 15.14 O ATOM 189 CB TYR A 13 2.697 -6.661 3.232 1.00 50.20 C ATOM 190 CG TYR A 13 3.165 -5.781 4.363 1.00 34.44 C ATOM 191 CD1 TYR A 13 4.520 -5.580 4.611 1.00 2.33 C ATOM 192 CD2 TYR A 13 2.246 -5.169 5.208 1.00 23.33 C ATOM 193 CE1 TYR A 13 4.942 -4.793 5.664 1.00 22.41 C ATOM 194 CE2 TYR A 13 2.663 -4.379 6.259 1.00 4.12 C ATOM 195 CZ TYR A 13 4.008 -4.194 6.482 1.00 2.24 C ATOM 196 OH TYR A 13 4.418 -3.414 7.535 1.00 75.22 O ATOM 0 H TYR A 13 2.137 -4.852 1.553 1.00 25.23 H new ATOM 0 HA TYR A 13 4.508 -6.369 2.106 1.00 0.12 H new ATOM 0 HB2 TYR A 13 1.635 -6.480 3.066 1.00 50.20 H new ATOM 0 HB3 TYR A 13 2.799 -7.703 3.536 1.00 50.20 H new ATOM 0 HD1 TYR A 13 5.253 -6.047 3.970 1.00 2.33 H new ATOM 0 HD2 TYR A 13 1.189 -5.314 5.039 1.00 23.33 H new ATOM 0 HE1 TYR A 13 5.997 -4.648 5.846 1.00 22.41 H new ATOM 0 HE2 TYR A 13 1.937 -3.908 6.904 1.00 4.12 H new ATOM 0 HH TYR A 13 3.970 -2.543 7.491 1.00 75.22 H new ATOM 205 N GLY A 14 4.174 -8.139 0.345 1.00 42.21 N ATOM 206 CA GLY A 14 3.976 -9.219 -0.581 1.00 41.43 C ATOM 207 C GLY A 14 4.681 -10.480 -0.166 1.00 61.14 C ATOM 208 O GLY A 14 5.187 -10.583 0.952 1.00 23.21 O ATOM 0 H GLY A 14 5.133 -7.798 0.413 1.00 42.21 H new ATOM 0 HA2 GLY A 14 2.909 -9.419 -0.675 1.00 41.43 H new ATOM 0 HA3 GLY A 14 4.332 -8.917 -1.566 1.00 41.43 H new ATOM 212 N ARG A 15 4.680 -11.451 -1.059 1.00 33.35 N ATOM 213 CA ARG A 15 5.467 -12.655 -0.891 1.00 5.12 C ATOM 214 C ARG A 15 5.619 -13.362 -2.231 1.00 54.33 C ATOM 215 O ARG A 15 4.670 -13.963 -2.741 1.00 13.35 O ATOM 216 CB ARG A 15 4.860 -13.603 0.158 1.00 61.35 C ATOM 217 CG ARG A 15 3.444 -14.067 -0.143 1.00 72.43 C ATOM 218 CD ARG A 15 3.120 -15.348 0.610 1.00 10.42 C ATOM 219 NE ARG A 15 4.040 -16.428 0.247 1.00 42.13 N ATOM 220 CZ ARG A 15 4.406 -17.415 1.064 1.00 1.51 C ATOM 221 NH1 ARG A 15 3.904 -17.484 2.295 1.00 22.45 N ATOM 222 NH2 ARG A 15 5.273 -18.328 0.638 1.00 25.31 N ATOM 0 H ARG A 15 4.134 -11.426 -1.920 1.00 33.35 H new ATOM 0 HA ARG A 15 6.450 -12.363 -0.522 1.00 5.12 H new ATOM 0 HB2 ARG A 15 5.502 -14.479 0.250 1.00 61.35 H new ATOM 0 HB3 ARG A 15 4.865 -13.102 1.126 1.00 61.35 H new ATOM 0 HG2 ARG A 15 2.735 -13.288 0.136 1.00 72.43 H new ATOM 0 HG3 ARG A 15 3.331 -14.232 -1.215 1.00 72.43 H new ATOM 0 HD2 ARG A 15 3.176 -15.165 1.683 1.00 10.42 H new ATOM 0 HD3 ARG A 15 2.096 -15.651 0.392 1.00 10.42 H new ATOM 0 HE ARG A 15 4.427 -16.424 -0.697 1.00 42.13 H new ATOM 0 HH11 ARG A 15 3.238 -16.781 2.614 1.00 22.45 H new ATOM 0 HH12 ARG A 15 4.185 -18.240 2.919 1.00 22.45 H new ATOM 0 HH21 ARG A 15 5.652 -18.269 -0.307 1.00 25.31 H new ATOM 0 HH22 ARG A 15 5.559 -19.087 1.256 1.00 25.31 H new ATOM 233 N GLU A 16 6.803 -13.216 -2.817 1.00 35.01 N ATOM 234 CA GLU A 16 7.199 -13.947 -4.023 1.00 64.15 C ATOM 235 C GLU A 16 6.503 -13.424 -5.288 1.00 32.24 C ATOM 236 O GLU A 16 7.177 -13.054 -6.251 1.00 0.14 O ATOM 237 CB GLU A 16 6.948 -15.445 -3.831 1.00 14.30 C ATOM 238 CG GLU A 16 7.619 -15.997 -2.579 1.00 1.22 C ATOM 239 CD GLU A 16 7.252 -17.438 -2.302 1.00 72.32 C ATOM 240 OE1 GLU A 16 6.122 -17.691 -1.828 1.00 52.44 O ATOM 241 OE2 GLU A 16 8.099 -18.324 -2.539 1.00 12.45 O ATOM 0 H GLU A 16 7.523 -12.583 -2.468 1.00 35.01 H new ATOM 0 HA GLU A 16 8.266 -13.780 -4.173 1.00 64.15 H new ATOM 0 HB2 GLU A 16 5.875 -15.625 -3.773 1.00 14.30 H new ATOM 0 HB3 GLU A 16 7.315 -15.986 -4.703 1.00 14.30 H new ATOM 0 HG2 GLU A 16 8.701 -15.917 -2.687 1.00 1.22 H new ATOM 0 HG3 GLU A 16 7.338 -15.385 -1.722 1.00 1.22 H new ATOM 246 N GLY A 17 5.175 -13.394 -5.296 1.00 72.22 N ATOM 247 CA GLY A 17 4.460 -12.905 -6.463 1.00 34.13 C ATOM 248 C GLY A 17 2.955 -12.834 -6.267 1.00 61.12 C ATOM 249 O GLY A 17 2.404 -13.504 -5.387 1.00 44.54 O ATOM 0 H GLY A 17 4.583 -13.697 -4.522 1.00 72.22 H new ATOM 0 HA2 GLY A 17 4.832 -11.913 -6.718 1.00 34.13 H new ATOM 0 HA3 GLY A 17 4.678 -13.554 -7.311 1.00 34.13 H new ATOM 253 N CYS A 18 2.301 -12.008 -7.086 1.00 31.25 N ATOM 254 CA CYS A 18 0.846 -11.858 -7.080 1.00 74.23 C ATOM 255 C CYS A 18 0.409 -10.993 -8.265 1.00 73.12 C ATOM 256 O CYS A 18 0.919 -9.886 -8.453 1.00 71.22 O ATOM 257 CB CYS A 18 0.367 -11.225 -5.771 1.00 35.21 C ATOM 258 SG CYS A 18 -1.415 -10.926 -5.694 1.00 61.33 S ATOM 0 H CYS A 18 2.770 -11.421 -7.776 1.00 31.25 H new ATOM 0 HA CYS A 18 0.398 -12.848 -7.167 1.00 74.23 H new ATOM 0 HB2 CYS A 18 0.650 -11.874 -4.943 1.00 35.21 H new ATOM 0 HB3 CYS A 18 0.888 -10.279 -5.627 1.00 35.21 H new ATOM 0 HG CYS A 18 -1.716 -10.392 -4.548 1.00 61.33 H new ATOM 263 N HIS A 19 -0.541 -11.488 -9.052 1.00 33.10 N ATOM 264 CA HIS A 19 -0.969 -10.791 -10.263 1.00 1.50 C ATOM 265 C HIS A 19 -1.694 -9.491 -9.927 1.00 30.42 C ATOM 266 O HIS A 19 -1.467 -8.467 -10.568 1.00 1.41 O ATOM 267 CB HIS A 19 -1.883 -11.680 -11.112 1.00 72.34 C ATOM 268 CG HIS A 19 -2.033 -11.201 -12.528 1.00 5.31 C ATOM 269 ND1 HIS A 19 -3.006 -10.307 -12.936 1.00 33.43 N ATOM 270 CD2 HIS A 19 -1.320 -11.505 -13.638 1.00 71.35 C ATOM 271 CE1 HIS A 19 -2.878 -10.084 -14.231 1.00 34.54 C ATOM 272 NE2 HIS A 19 -1.863 -10.796 -14.678 1.00 33.52 N ATOM 0 H HIS A 19 -1.029 -12.366 -8.875 1.00 33.10 H new ATOM 0 HA HIS A 19 -0.071 -10.554 -10.833 1.00 1.50 H new ATOM 0 HB2 HIS A 19 -1.485 -12.695 -11.120 1.00 72.34 H new ATOM 0 HB3 HIS A 19 -2.867 -11.727 -10.646 1.00 72.34 H new ATOM 0 HD1 HIS A 19 -3.712 -9.886 -12.332 1.00 33.43 H new ATOM 0 HD2 HIS A 19 -0.479 -12.181 -13.694 1.00 71.35 H new ATOM 0 HE1 HIS A 19 -3.500 -9.429 -14.824 1.00 34.54 H new ATOM 279 N LEU A 20 -2.561 -9.535 -8.917 1.00 41.33 N ATOM 280 CA LEU A 20 -3.330 -8.358 -8.517 1.00 4.12 C ATOM 281 C LEU A 20 -2.412 -7.231 -8.054 1.00 63.12 C ATOM 282 O LEU A 20 -2.750 -6.053 -8.183 1.00 2.13 O ATOM 283 CB LEU A 20 -4.351 -8.694 -7.425 1.00 64.21 C ATOM 284 CG LEU A 20 -5.579 -9.487 -7.893 1.00 13.24 C ATOM 285 CD1 LEU A 20 -6.656 -9.512 -6.817 1.00 54.02 C ATOM 286 CD2 LEU A 20 -6.135 -8.899 -9.180 1.00 44.20 C ATOM 0 H LEU A 20 -2.748 -10.370 -8.362 1.00 41.33 H new ATOM 0 HA LEU A 20 -3.877 -8.019 -9.397 1.00 4.12 H new ATOM 0 HB2 LEU A 20 -3.848 -9.264 -6.644 1.00 64.21 H new ATOM 0 HB3 LEU A 20 -4.692 -7.763 -6.971 1.00 64.21 H new ATOM 0 HG LEU A 20 -5.263 -10.513 -8.084 1.00 13.24 H new ATOM 0 HD11 LEU A 20 -7.515 -10.080 -7.175 1.00 54.02 H new ATOM 0 HD12 LEU A 20 -6.260 -9.981 -5.917 1.00 54.02 H new ATOM 0 HD13 LEU A 20 -6.966 -8.492 -6.588 1.00 54.02 H new ATOM 0 HD21 LEU A 20 -7.005 -9.474 -9.497 1.00 44.20 H new ATOM 0 HD22 LEU A 20 -6.427 -7.863 -9.010 1.00 44.20 H new ATOM 0 HD23 LEU A 20 -5.372 -8.938 -9.957 1.00 44.20 H new ATOM 297 N CYS A 21 -1.261 -7.590 -7.496 1.00 50.15 N ATOM 298 CA CYS A 21 -0.282 -6.600 -7.065 1.00 13.24 C ATOM 299 C CYS A 21 0.098 -5.687 -8.229 1.00 2.23 C ATOM 300 O CYS A 21 0.021 -4.465 -8.115 1.00 23.23 O ATOM 301 CB CYS A 21 0.969 -7.289 -6.517 1.00 33.10 C ATOM 302 SG CYS A 21 2.236 -6.153 -5.904 1.00 55.25 S ATOM 0 H CYS A 21 -0.984 -8.558 -7.332 1.00 50.15 H new ATOM 0 HA CYS A 21 -0.729 -5.998 -6.274 1.00 13.24 H new ATOM 0 HB2 CYS A 21 0.676 -7.959 -5.708 1.00 33.10 H new ATOM 0 HB3 CYS A 21 1.402 -7.908 -7.303 1.00 33.10 H new ATOM 0 HG CYS A 21 3.251 -6.833 -5.461 1.00 55.25 H new ATOM 307 N GLU A 22 0.461 -6.297 -9.356 1.00 44.30 N ATOM 308 CA GLU A 22 0.855 -5.557 -10.554 1.00 72.31 C ATOM 309 C GLU A 22 -0.280 -4.664 -11.043 1.00 4.02 C ATOM 310 O GLU A 22 -0.055 -3.532 -11.474 1.00 12.20 O ATOM 311 CB GLU A 22 1.259 -6.530 -11.664 1.00 13.41 C ATOM 312 CG GLU A 22 2.528 -7.311 -11.365 1.00 52.44 C ATOM 313 CD GLU A 22 3.762 -6.433 -11.362 1.00 22.40 C ATOM 314 OE1 GLU A 22 4.324 -6.183 -12.453 1.00 10.35 O ATOM 315 OE2 GLU A 22 4.184 -5.996 -10.273 1.00 44.02 O ATOM 0 H GLU A 22 0.490 -7.311 -9.465 1.00 44.30 H new ATOM 0 HA GLU A 22 1.706 -4.926 -10.297 1.00 72.31 H new ATOM 0 HB2 GLU A 22 0.443 -7.232 -11.833 1.00 13.41 H new ATOM 0 HB3 GLU A 22 1.397 -5.972 -12.590 1.00 13.41 H new ATOM 0 HG2 GLU A 22 2.431 -7.799 -10.395 1.00 52.44 H new ATOM 0 HG3 GLU A 22 2.649 -8.100 -12.108 1.00 52.44 H new ATOM 320 N GLU A 23 -1.501 -5.182 -10.961 1.00 25.05 N ATOM 321 CA GLU A 23 -2.675 -4.460 -11.425 1.00 0.53 C ATOM 322 C GLU A 23 -2.928 -3.220 -10.577 1.00 71.42 C ATOM 323 O GLU A 23 -3.293 -2.159 -11.095 1.00 25.45 O ATOM 324 CB GLU A 23 -3.892 -5.384 -11.416 1.00 45.34 C ATOM 325 CG GLU A 23 -3.740 -6.558 -12.367 1.00 64.45 C ATOM 326 CD GLU A 23 -4.980 -7.426 -12.449 1.00 73.43 C ATOM 327 OE1 GLU A 23 -6.040 -6.922 -12.887 1.00 4.15 O ATOM 328 OE2 GLU A 23 -4.896 -8.621 -12.094 1.00 14.13 O ATOM 0 H GLU A 23 -1.701 -6.105 -10.575 1.00 25.05 H new ATOM 0 HA GLU A 23 -2.495 -4.127 -12.447 1.00 0.53 H new ATOM 0 HB2 GLU A 23 -4.052 -5.758 -10.405 1.00 45.34 H new ATOM 0 HB3 GLU A 23 -4.779 -4.813 -11.689 1.00 45.34 H new ATOM 0 HG2 GLU A 23 -3.501 -6.182 -13.362 1.00 64.45 H new ATOM 0 HG3 GLU A 23 -2.897 -7.170 -12.046 1.00 64.45 H new ATOM 333 N MET A 24 -2.723 -3.344 -9.273 1.00 44.20 N ATOM 334 CA MET A 24 -2.882 -2.200 -8.388 1.00 40.53 C ATOM 335 C MET A 24 -1.742 -1.215 -8.589 1.00 23.11 C ATOM 336 O MET A 24 -1.960 -0.010 -8.586 1.00 53.52 O ATOM 337 CB MET A 24 -2.951 -2.605 -6.914 1.00 62.32 C ATOM 338 CG MET A 24 -4.077 -3.570 -6.595 1.00 53.43 C ATOM 339 SD MET A 24 -4.655 -3.443 -4.889 1.00 73.51 S ATOM 340 CE MET A 24 -4.974 -1.688 -4.724 1.00 3.20 C ATOM 0 H MET A 24 -2.450 -4.211 -8.810 1.00 44.20 H new ATOM 0 HA MET A 24 -3.831 -1.731 -8.648 1.00 40.53 H new ATOM 0 HB2 MET A 24 -2.003 -3.060 -6.627 1.00 62.32 H new ATOM 0 HB3 MET A 24 -3.071 -1.708 -6.306 1.00 62.32 H new ATOM 0 HG2 MET A 24 -4.912 -3.381 -7.270 1.00 53.43 H new ATOM 0 HG3 MET A 24 -3.739 -4.589 -6.783 1.00 53.43 H new ATOM 0 HE1 MET A 24 -5.767 -1.529 -3.993 1.00 3.20 H new ATOM 0 HE2 MET A 24 -4.067 -1.183 -4.391 1.00 3.20 H new ATOM 0 HE3 MET A 24 -5.282 -1.282 -5.687 1.00 3.20 H new ATOM 348 N ILE A 25 -0.531 -1.728 -8.782 1.00 24.02 N ATOM 349 CA ILE A 25 0.635 -0.870 -8.983 1.00 42.21 C ATOM 350 C ILE A 25 0.400 0.101 -10.139 1.00 35.11 C ATOM 351 O ILE A 25 0.584 1.305 -9.981 1.00 13.21 O ATOM 352 CB ILE A 25 1.925 -1.688 -9.241 1.00 31.10 C ATOM 353 CG1 ILE A 25 2.307 -2.485 -7.990 1.00 34.10 C ATOM 354 CG2 ILE A 25 3.076 -0.777 -9.656 1.00 21.41 C ATOM 355 CD1 ILE A 25 3.525 -3.361 -8.170 1.00 54.12 C ATOM 0 H ILE A 25 -0.330 -2.728 -8.804 1.00 24.02 H new ATOM 0 HA ILE A 25 0.775 -0.307 -8.060 1.00 42.21 H new ATOM 0 HB ILE A 25 1.728 -2.383 -10.058 1.00 31.10 H new ATOM 0 HG12 ILE A 25 2.489 -1.790 -7.170 1.00 34.10 H new ATOM 0 HG13 ILE A 25 1.463 -3.109 -7.697 1.00 34.10 H new ATOM 0 HG21 ILE A 25 3.969 -1.376 -9.831 1.00 21.41 H new ATOM 0 HG22 ILE A 25 2.809 -0.248 -10.571 1.00 21.41 H new ATOM 0 HG23 ILE A 25 3.273 -0.055 -8.863 1.00 21.41 H new ATOM 0 HD11 ILE A 25 3.731 -3.893 -7.241 1.00 54.12 H new ATOM 0 HD12 ILE A 25 3.341 -4.081 -8.967 1.00 54.12 H new ATOM 0 HD13 ILE A 25 4.383 -2.742 -8.432 1.00 54.12 H new ATOM 366 N ALA A 26 -0.041 -0.422 -11.281 1.00 74.30 N ATOM 367 CA ALA A 26 -0.313 0.407 -12.453 1.00 41.35 C ATOM 368 C ALA A 26 -1.342 1.492 -12.135 1.00 34.44 C ATOM 369 O ALA A 26 -1.178 2.651 -12.519 1.00 4.44 O ATOM 370 CB ALA A 26 -0.795 -0.458 -13.609 1.00 44.05 C ATOM 0 H ALA A 26 -0.218 -1.417 -11.420 1.00 74.30 H new ATOM 0 HA ALA A 26 0.615 0.899 -12.743 1.00 41.35 H new ATOM 0 HB1 ALA A 26 -0.994 0.172 -14.476 1.00 44.05 H new ATOM 0 HB2 ALA A 26 -0.027 -1.190 -13.861 1.00 44.05 H new ATOM 0 HB3 ALA A 26 -1.709 -0.976 -13.319 1.00 44.05 H new ATOM 376 N SER A 27 -2.384 1.112 -11.410 1.00 2.22 N ATOM 377 CA SER A 27 -3.435 2.043 -11.031 1.00 54.03 C ATOM 378 C SER A 27 -2.903 3.098 -10.058 1.00 50.34 C ATOM 379 O SER A 27 -3.165 4.294 -10.213 1.00 15.25 O ATOM 380 CB SER A 27 -4.601 1.274 -10.407 1.00 72.32 C ATOM 381 OG SER A 27 -5.119 0.316 -11.315 1.00 40.11 O ATOM 0 H SER A 27 -2.524 0.160 -11.071 1.00 2.22 H new ATOM 0 HA SER A 27 -3.786 2.560 -11.924 1.00 54.03 H new ATOM 0 HB2 SER A 27 -4.267 0.775 -9.497 1.00 72.32 H new ATOM 0 HB3 SER A 27 -5.388 1.970 -10.119 1.00 72.32 H new ATOM 0 HG SER A 27 -4.569 -0.495 -11.284 1.00 40.11 H new ATOM 386 N LEU A 28 -2.135 2.653 -9.068 1.00 41.44 N ATOM 387 CA LEU A 28 -1.574 3.551 -8.067 1.00 22.42 C ATOM 388 C LEU A 28 -0.533 4.482 -8.679 1.00 64.55 C ATOM 389 O LEU A 28 -0.398 5.616 -8.247 1.00 43.44 O ATOM 390 CB LEU A 28 -0.964 2.761 -6.900 1.00 24.12 C ATOM 391 CG LEU A 28 -1.927 2.417 -5.753 1.00 71.40 C ATOM 392 CD1 LEU A 28 -2.511 3.683 -5.145 1.00 72.22 C ATOM 393 CD2 LEU A 28 -3.043 1.497 -6.221 1.00 5.22 C ATOM 0 H LEU A 28 -1.887 1.672 -8.938 1.00 41.44 H new ATOM 0 HA LEU A 28 -2.390 4.162 -7.681 1.00 22.42 H new ATOM 0 HB2 LEU A 28 -0.548 1.833 -7.292 1.00 24.12 H new ATOM 0 HB3 LEU A 28 -0.132 3.335 -6.492 1.00 24.12 H new ATOM 0 HG LEU A 28 -1.354 1.891 -4.990 1.00 71.40 H new ATOM 0 HD11 LEU A 28 -3.190 3.418 -4.335 1.00 72.22 H new ATOM 0 HD12 LEU A 28 -1.705 4.304 -4.754 1.00 72.22 H new ATOM 0 HD13 LEU A 28 -3.057 4.236 -5.910 1.00 72.22 H new ATOM 0 HD21 LEU A 28 -3.706 1.274 -5.385 1.00 5.22 H new ATOM 0 HD22 LEU A 28 -3.610 1.987 -7.013 1.00 5.22 H new ATOM 0 HD23 LEU A 28 -2.615 0.570 -6.602 1.00 5.22 H new ATOM 404 N ARG A 29 0.186 4.009 -9.692 1.00 4.04 N ATOM 405 CA ARG A 29 1.180 4.839 -10.375 1.00 20.12 C ATOM 406 C ARG A 29 0.537 6.095 -10.943 1.00 65.13 C ATOM 407 O ARG A 29 1.117 7.178 -10.902 1.00 2.11 O ATOM 408 CB ARG A 29 1.854 4.061 -11.502 1.00 11.32 C ATOM 409 CG ARG A 29 2.793 2.974 -11.020 1.00 14.10 C ATOM 410 CD ARG A 29 4.046 3.547 -10.372 1.00 30.21 C ATOM 411 NE ARG A 29 4.917 4.217 -11.341 1.00 55.14 N ATOM 412 CZ ARG A 29 6.251 4.162 -11.306 1.00 14.13 C ATOM 413 NH1 ARG A 29 6.868 3.450 -10.370 1.00 44.45 N ATOM 414 NH2 ARG A 29 6.967 4.814 -12.214 1.00 13.02 N ATOM 0 H ARG A 29 0.102 3.061 -10.059 1.00 4.04 H new ATOM 0 HA ARG A 29 1.932 5.125 -9.640 1.00 20.12 H new ATOM 0 HB2 ARG A 29 1.085 3.611 -12.130 1.00 11.32 H new ATOM 0 HB3 ARG A 29 2.411 4.757 -12.129 1.00 11.32 H new ATOM 0 HG2 ARG A 29 2.273 2.338 -10.304 1.00 14.10 H new ATOM 0 HG3 ARG A 29 3.077 2.341 -11.861 1.00 14.10 H new ATOM 0 HD2 ARG A 29 3.759 4.255 -9.595 1.00 30.21 H new ATOM 0 HD3 ARG A 29 4.599 2.745 -9.884 1.00 30.21 H new ATOM 0 HE ARG A 29 4.479 4.758 -12.087 1.00 55.14 H new ATOM 0 HH11 ARG A 29 6.323 2.942 -9.674 1.00 44.45 H new ATOM 0 HH12 ARG A 29 7.887 3.411 -10.348 1.00 44.45 H new ATOM 0 HH21 ARG A 29 6.498 5.357 -12.939 1.00 13.02 H new ATOM 0 HH22 ARG A 29 7.986 4.772 -12.187 1.00 13.02 H new ATOM 425 N VAL A 30 -0.670 5.942 -11.472 1.00 13.23 N ATOM 426 CA VAL A 30 -1.405 7.068 -12.028 1.00 25.10 C ATOM 427 C VAL A 30 -1.820 8.046 -10.929 1.00 13.42 C ATOM 428 O VAL A 30 -1.701 9.260 -11.093 1.00 33.31 O ATOM 429 CB VAL A 30 -2.643 6.600 -12.822 1.00 33.50 C ATOM 430 CG1 VAL A 30 -3.412 7.790 -13.378 1.00 41.23 C ATOM 431 CG2 VAL A 30 -2.215 5.666 -13.942 1.00 1.54 C ATOM 0 H VAL A 30 -1.160 5.049 -11.527 1.00 13.23 H new ATOM 0 HA VAL A 30 -0.736 7.582 -12.718 1.00 25.10 H new ATOM 0 HB VAL A 30 -3.307 6.060 -12.147 1.00 33.50 H new ATOM 0 HG11 VAL A 30 -4.280 7.435 -13.934 1.00 41.23 H new ATOM 0 HG12 VAL A 30 -3.742 8.426 -12.557 1.00 41.23 H new ATOM 0 HG13 VAL A 30 -2.765 8.363 -14.043 1.00 41.23 H new ATOM 0 HG21 VAL A 30 -3.093 5.339 -14.499 1.00 1.54 H new ATOM 0 HG22 VAL A 30 -1.534 6.190 -14.613 1.00 1.54 H new ATOM 0 HG23 VAL A 30 -1.710 4.798 -13.519 1.00 1.54 H new ATOM 441 N LEU A 31 -2.281 7.515 -9.802 1.00 14.40 N ATOM 442 CA LEU A 31 -2.644 8.344 -8.659 1.00 44.24 C ATOM 443 C LEU A 31 -1.390 8.985 -8.065 1.00 42.44 C ATOM 444 O LEU A 31 -1.418 10.127 -7.608 1.00 23.13 O ATOM 445 CB LEU A 31 -3.362 7.500 -7.600 1.00 73.30 C ATOM 446 CG LEU A 31 -4.480 8.215 -6.829 1.00 45.45 C ATOM 447 CD1 LEU A 31 -5.206 7.244 -5.919 1.00 75.44 C ATOM 448 CD2 LEU A 31 -3.940 9.384 -6.017 1.00 64.02 C ATOM 0 H LEU A 31 -2.412 6.514 -9.656 1.00 14.40 H new ATOM 0 HA LEU A 31 -3.320 9.132 -8.992 1.00 44.24 H new ATOM 0 HB2 LEU A 31 -3.785 6.621 -8.087 1.00 73.30 H new ATOM 0 HB3 LEU A 31 -2.622 7.142 -6.884 1.00 73.30 H new ATOM 0 HG LEU A 31 -5.183 8.609 -7.563 1.00 45.45 H new ATOM 0 HD11 LEU A 31 -5.995 7.770 -5.381 1.00 75.44 H new ATOM 0 HD12 LEU A 31 -5.645 6.444 -6.516 1.00 75.44 H new ATOM 0 HD13 LEU A 31 -4.501 6.818 -5.205 1.00 75.44 H new ATOM 0 HD21 LEU A 31 -4.760 9.866 -5.484 1.00 64.02 H new ATOM 0 HD22 LEU A 31 -3.205 9.020 -5.299 1.00 64.02 H new ATOM 0 HD23 LEU A 31 -3.468 10.104 -6.685 1.00 64.02 H new ATOM 459 N GLN A 32 -0.292 8.240 -8.104 1.00 42.01 N ATOM 460 CA GLN A 32 0.997 8.694 -7.590 1.00 63.43 C ATOM 461 C GLN A 32 1.466 9.940 -8.337 1.00 20.33 C ATOM 462 O GLN A 32 2.217 10.756 -7.803 1.00 35.14 O ATOM 463 CB GLN A 32 2.034 7.577 -7.748 1.00 2.01 C ATOM 464 CG GLN A 32 3.189 7.650 -6.767 1.00 35.10 C ATOM 465 CD GLN A 32 4.335 6.732 -7.153 1.00 15.41 C ATOM 466 OE1 GLN A 32 4.584 6.493 -8.336 1.00 5.24 O ATOM 467 NE2 GLN A 32 5.022 6.184 -6.163 1.00 33.22 N ATOM 0 H GLN A 32 -0.269 7.298 -8.495 1.00 42.01 H new ATOM 0 HA GLN A 32 0.884 8.944 -6.535 1.00 63.43 H new ATOM 0 HB2 GLN A 32 1.535 6.615 -7.631 1.00 2.01 H new ATOM 0 HB3 GLN A 32 2.432 7.608 -8.762 1.00 2.01 H new ATOM 0 HG2 GLN A 32 3.552 8.676 -6.713 1.00 35.10 H new ATOM 0 HG3 GLN A 32 2.834 7.384 -5.771 1.00 35.10 H new ATOM 0 HE21 GLN A 32 4.787 6.406 -5.195 1.00 33.22 H new ATOM 0 HE22 GLN A 32 5.786 5.540 -6.368 1.00 33.22 H new ATOM 474 N LYS A 33 1.009 10.073 -9.574 1.00 55.02 N ATOM 475 CA LYS A 33 1.357 11.211 -10.412 1.00 13.41 C ATOM 476 C LYS A 33 0.605 12.469 -9.983 1.00 51.04 C ATOM 477 O LYS A 33 0.905 13.572 -10.439 1.00 10.35 O ATOM 478 CB LYS A 33 1.095 10.883 -11.872 1.00 0.44 C ATOM 479 CG LYS A 33 2.122 9.912 -12.429 1.00 71.11 C ATOM 480 CD LYS A 33 1.928 9.678 -13.908 1.00 11.01 C ATOM 481 CE LYS A 33 0.815 8.690 -14.186 1.00 24.33 C ATOM 482 NZ LYS A 33 0.707 8.385 -15.639 1.00 34.15 N ATOM 0 H LYS A 33 0.390 9.399 -10.023 1.00 55.02 H new ATOM 0 HA LYS A 33 2.421 11.416 -10.289 1.00 13.41 H new ATOM 0 HB2 LYS A 33 0.098 10.455 -11.974 1.00 0.44 H new ATOM 0 HB3 LYS A 33 1.109 11.802 -12.458 1.00 0.44 H new ATOM 0 HG2 LYS A 33 3.124 10.301 -12.251 1.00 71.11 H new ATOM 0 HG3 LYS A 33 2.050 8.963 -11.898 1.00 71.11 H new ATOM 0 HD2 LYS A 33 1.702 10.625 -14.398 1.00 11.01 H new ATOM 0 HD3 LYS A 33 2.857 9.308 -14.341 1.00 11.01 H new ATOM 0 HE2 LYS A 33 0.998 7.769 -13.632 1.00 24.33 H new ATOM 0 HE3 LYS A 33 -0.131 9.095 -13.827 1.00 24.33 H new ATOM 0 HZ1 LYS A 33 -0.065 7.705 -15.795 1.00 34.15 H new ATOM 0 HZ2 LYS A 33 0.508 9.261 -16.164 1.00 34.15 H new ATOM 0 HZ3 LYS A 33 1.602 7.976 -15.975 1.00 34.15 H new ATOM 492 N LYS A 34 -0.382 12.293 -9.112 1.00 43.44 N ATOM 493 CA LYS A 34 -1.085 13.421 -8.518 1.00 35.12 C ATOM 494 C LYS A 34 -0.673 13.577 -7.058 1.00 60.12 C ATOM 495 O LYS A 34 -0.398 14.682 -6.590 1.00 22.34 O ATOM 496 CB LYS A 34 -2.606 13.249 -8.608 1.00 42.34 C ATOM 497 CG LYS A 34 -3.152 13.233 -10.030 1.00 51.10 C ATOM 498 CD LYS A 34 -3.559 11.836 -10.463 1.00 41.12 C ATOM 499 CE LYS A 34 -4.766 11.336 -9.683 1.00 45.51 C ATOM 500 NZ LYS A 34 -6.029 12.023 -10.084 1.00 31.44 N ATOM 0 H LYS A 34 -0.713 11.379 -8.802 1.00 43.44 H new ATOM 0 HA LYS A 34 -0.813 14.316 -9.078 1.00 35.12 H new ATOM 0 HB2 LYS A 34 -2.884 12.318 -8.114 1.00 42.34 H new ATOM 0 HB3 LYS A 34 -3.085 14.058 -8.057 1.00 42.34 H new ATOM 0 HG2 LYS A 34 -4.012 13.899 -10.096 1.00 51.10 H new ATOM 0 HG3 LYS A 34 -2.396 13.620 -10.714 1.00 51.10 H new ATOM 0 HD2 LYS A 34 -3.789 11.837 -11.528 1.00 41.12 H new ATOM 0 HD3 LYS A 34 -2.723 11.152 -10.318 1.00 41.12 H new ATOM 0 HE2 LYS A 34 -4.875 10.262 -9.837 1.00 45.51 H new ATOM 0 HE3 LYS A 34 -4.595 11.489 -8.617 1.00 45.51 H new ATOM 0 HZ1 LYS A 34 -6.831 11.601 -9.574 1.00 31.44 H new ATOM 0 HZ2 LYS A 34 -5.963 13.034 -9.850 1.00 31.44 H new ATOM 0 HZ3 LYS A 34 -6.174 11.913 -11.108 1.00 31.44 H new ATOM 510 N SER A 35 -0.624 12.458 -6.348 1.00 13.24 N ATOM 511 CA SER A 35 -0.291 12.452 -4.932 1.00 55.11 C ATOM 512 C SER A 35 0.779 11.399 -4.650 1.00 42.04 C ATOM 513 O SER A 35 0.548 10.208 -4.850 1.00 73.54 O ATOM 514 CB SER A 35 -1.554 12.185 -4.098 1.00 45.11 C ATOM 515 OG SER A 35 -2.585 13.094 -4.453 1.00 11.13 O ATOM 0 H SER A 35 -0.813 11.534 -6.736 1.00 13.24 H new ATOM 0 HA SER A 35 0.107 13.428 -4.652 1.00 55.11 H new ATOM 0 HB2 SER A 35 -1.893 11.161 -4.258 1.00 45.11 H new ATOM 0 HB3 SER A 35 -1.324 12.283 -3.037 1.00 45.11 H new ATOM 0 HG SER A 35 -3.383 12.910 -3.915 1.00 11.13 H new ATOM 520 N TRP A 36 1.953 11.844 -4.213 1.00 31.12 N ATOM 521 CA TRP A 36 3.065 10.938 -3.963 1.00 32.22 C ATOM 522 C TRP A 36 2.885 10.188 -2.647 1.00 61.50 C ATOM 523 O TRP A 36 2.571 10.781 -1.614 1.00 14.12 O ATOM 524 CB TRP A 36 4.391 11.706 -3.944 1.00 41.51 C ATOM 525 CG TRP A 36 5.589 10.808 -3.863 1.00 2.45 C ATOM 526 CD1 TRP A 36 6.292 10.461 -2.743 1.00 42.35 C ATOM 527 CD2 TRP A 36 6.219 10.131 -4.955 1.00 60.52 C ATOM 528 NE1 TRP A 36 7.319 9.610 -3.077 1.00 32.11 N ATOM 529 CE2 TRP A 36 7.293 9.393 -4.425 1.00 21.34 C ATOM 530 CE3 TRP A 36 5.978 10.081 -6.329 1.00 0.42 C ATOM 531 CZ2 TRP A 36 8.123 8.609 -5.217 1.00 3.52 C ATOM 532 CZ3 TRP A 36 6.803 9.301 -7.119 1.00 45.30 C ATOM 533 CH2 TRP A 36 7.863 8.573 -6.562 1.00 2.52 C ATOM 0 H TRP A 36 2.157 12.826 -4.025 1.00 31.12 H new ATOM 0 HA TRP A 36 3.084 10.210 -4.774 1.00 32.22 H new ATOM 0 HB2 TRP A 36 4.463 12.318 -4.843 1.00 41.51 H new ATOM 0 HB3 TRP A 36 4.397 12.388 -3.094 1.00 41.51 H new ATOM 0 HD1 TRP A 36 6.073 10.805 -1.743 1.00 42.35 H new ATOM 0 HE1 TRP A 36 7.991 9.206 -2.424 1.00 32.11 H new ATOM 0 HE3 TRP A 36 5.164 10.640 -6.766 1.00 0.42 H new ATOM 0 HZ2 TRP A 36 8.942 8.049 -4.789 1.00 3.52 H new ATOM 0 HZ3 TRP A 36 6.627 9.252 -8.183 1.00 45.30 H new ATOM 0 HH2 TRP A 36 8.488 7.971 -7.206 1.00 2.52 H new ATOM 543 N PHE A 37 3.091 8.880 -2.698 1.00 5.32 N ATOM 544 CA PHE A 37 2.984 8.036 -1.518 1.00 55.15 C ATOM 545 C PHE A 37 4.081 6.978 -1.500 1.00 2.42 C ATOM 546 O PHE A 37 3.966 5.977 -0.794 1.00 4.34 O ATOM 547 CB PHE A 37 1.606 7.361 -1.461 1.00 54.22 C ATOM 548 CG PHE A 37 1.182 6.736 -2.761 1.00 53.20 C ATOM 549 CD1 PHE A 37 1.658 5.493 -3.148 1.00 32.12 C ATOM 550 CD2 PHE A 37 0.300 7.400 -3.595 1.00 25.51 C ATOM 551 CE1 PHE A 37 1.265 4.928 -4.344 1.00 23.51 C ATOM 552 CE2 PHE A 37 -0.097 6.842 -4.791 1.00 43.11 C ATOM 553 CZ PHE A 37 0.385 5.604 -5.166 1.00 33.44 C ATOM 0 H PHE A 37 3.335 8.378 -3.551 1.00 5.32 H new ATOM 0 HA PHE A 37 3.104 8.673 -0.641 1.00 55.15 H new ATOM 0 HB2 PHE A 37 1.619 6.594 -0.687 1.00 54.22 H new ATOM 0 HB3 PHE A 37 0.862 8.100 -1.164 1.00 54.22 H new ATOM 0 HD1 PHE A 37 2.344 4.961 -2.506 1.00 32.12 H new ATOM 0 HD2 PHE A 37 -0.082 8.368 -3.305 1.00 25.51 H new ATOM 0 HE1 PHE A 37 1.644 3.960 -4.636 1.00 23.51 H new ATOM 0 HE2 PHE A 37 -0.784 7.372 -5.434 1.00 43.11 H new ATOM 0 HZ PHE A 37 0.074 5.164 -6.102 1.00 33.44 H new ATOM 562 N GLU A 38 5.145 7.210 -2.276 1.00 61.12 N ATOM 563 CA GLU A 38 6.249 6.251 -2.387 1.00 61.44 C ATOM 564 C GLU A 38 5.767 4.913 -2.940 1.00 64.24 C ATOM 565 O GLU A 38 4.597 4.755 -3.282 1.00 23.12 O ATOM 566 CB GLU A 38 6.911 6.031 -1.022 1.00 44.25 C ATOM 567 CG GLU A 38 7.702 7.220 -0.523 1.00 54.45 C ATOM 568 CD GLU A 38 9.121 7.208 -1.029 1.00 41.44 C ATOM 569 OE1 GLU A 38 9.933 6.415 -0.497 1.00 43.42 O ATOM 570 OE2 GLU A 38 9.431 7.971 -1.964 1.00 40.11 O ATOM 0 H GLU A 38 5.265 8.054 -2.837 1.00 61.12 H new ATOM 0 HA GLU A 38 6.979 6.671 -3.079 1.00 61.44 H new ATOM 0 HB2 GLU A 38 6.140 5.788 -0.291 1.00 44.25 H new ATOM 0 HB3 GLU A 38 7.574 5.168 -1.086 1.00 44.25 H new ATOM 0 HG2 GLU A 38 7.212 8.140 -0.841 1.00 54.45 H new ATOM 0 HG3 GLU A 38 7.706 7.221 0.567 1.00 54.45 H new ATOM 575 N LEU A 39 6.685 3.974 -3.072 1.00 1.44 N ATOM 576 CA LEU A 39 6.341 2.611 -3.444 1.00 73.14 C ATOM 577 C LEU A 39 7.367 1.653 -2.850 1.00 64.31 C ATOM 578 O LEU A 39 8.528 1.640 -3.268 1.00 71.34 O ATOM 579 CB LEU A 39 6.286 2.453 -4.971 1.00 43.22 C ATOM 580 CG LEU A 39 5.029 1.765 -5.525 1.00 40.34 C ATOM 581 CD1 LEU A 39 4.585 0.624 -4.623 1.00 14.42 C ATOM 582 CD2 LEU A 39 3.901 2.765 -5.715 1.00 74.44 C ATOM 0 H LEU A 39 7.682 4.130 -2.926 1.00 1.44 H new ATOM 0 HA LEU A 39 5.352 2.378 -3.050 1.00 73.14 H new ATOM 0 HB2 LEU A 39 6.366 3.442 -5.423 1.00 43.22 H new ATOM 0 HB3 LEU A 39 7.160 1.885 -5.291 1.00 43.22 H new ATOM 0 HG LEU A 39 5.283 1.347 -6.499 1.00 40.34 H new ATOM 0 HD11 LEU A 39 3.693 0.156 -5.040 1.00 14.42 H new ATOM 0 HD12 LEU A 39 5.383 -0.115 -4.552 1.00 14.42 H new ATOM 0 HD13 LEU A 39 4.360 1.012 -3.630 1.00 14.42 H new ATOM 0 HD21 LEU A 39 3.023 2.253 -6.108 1.00 74.44 H new ATOM 0 HD22 LEU A 39 3.655 3.223 -4.757 1.00 74.44 H new ATOM 0 HD23 LEU A 39 4.214 3.538 -6.417 1.00 74.44 H new ATOM 593 N GLU A 40 6.944 0.865 -1.873 1.00 32.12 N ATOM 594 CA GLU A 40 7.842 -0.080 -1.228 1.00 24.42 C ATOM 595 C GLU A 40 7.303 -1.499 -1.363 1.00 43.13 C ATOM 596 O GLU A 40 6.093 -1.713 -1.335 1.00 42.25 O ATOM 597 CB GLU A 40 8.009 0.266 0.249 1.00 34.11 C ATOM 598 CG GLU A 40 9.324 -0.208 0.834 1.00 54.43 C ATOM 599 CD GLU A 40 10.497 0.572 0.284 1.00 12.33 C ATOM 600 OE1 GLU A 40 10.656 1.755 0.653 1.00 33.54 O ATOM 601 OE2 GLU A 40 11.258 0.015 -0.535 1.00 1.34 O ATOM 0 H GLU A 40 5.990 0.861 -1.511 1.00 32.12 H new ATOM 0 HA GLU A 40 8.813 -0.018 -1.719 1.00 24.42 H new ATOM 0 HB2 GLU A 40 7.934 1.346 0.372 1.00 34.11 H new ATOM 0 HB3 GLU A 40 7.188 -0.177 0.813 1.00 34.11 H new ATOM 0 HG2 GLU A 40 9.297 -0.107 1.919 1.00 54.43 H new ATOM 0 HG3 GLU A 40 9.458 -1.268 0.616 1.00 54.43 H new ATOM 606 N VAL A 41 8.203 -2.460 -1.507 1.00 11.31 N ATOM 607 CA VAL A 41 7.819 -3.862 -1.623 1.00 12.05 C ATOM 608 C VAL A 41 8.582 -4.696 -0.603 1.00 24.31 C ATOM 609 O VAL A 41 9.812 -4.762 -0.637 1.00 30.21 O ATOM 610 CB VAL A 41 8.086 -4.421 -3.040 1.00 51.21 C ATOM 611 CG1 VAL A 41 7.642 -5.873 -3.133 1.00 12.35 C ATOM 612 CG2 VAL A 41 7.383 -3.578 -4.098 1.00 71.41 C ATOM 0 H VAL A 41 9.209 -2.295 -1.547 1.00 11.31 H new ATOM 0 HA VAL A 41 6.747 -3.922 -1.432 1.00 12.05 H new ATOM 0 HB VAL A 41 9.159 -4.375 -3.227 1.00 51.21 H new ATOM 0 HG11 VAL A 41 7.837 -6.250 -4.137 1.00 12.35 H new ATOM 0 HG12 VAL A 41 8.195 -6.470 -2.408 1.00 12.35 H new ATOM 0 HG13 VAL A 41 6.575 -5.941 -2.921 1.00 12.35 H new ATOM 0 HG21 VAL A 41 7.586 -3.991 -5.086 1.00 71.41 H new ATOM 0 HG22 VAL A 41 6.309 -3.586 -3.915 1.00 71.41 H new ATOM 0 HG23 VAL A 41 7.751 -2.553 -4.051 1.00 71.41 H new ATOM 622 N ILE A 42 7.851 -5.321 0.308 1.00 75.23 N ATOM 623 CA ILE A 42 8.460 -6.118 1.361 1.00 32.45 C ATOM 624 C ILE A 42 7.749 -7.461 1.492 1.00 13.44 C ATOM 625 O ILE A 42 6.524 -7.507 1.592 1.00 51.15 O ATOM 626 CB ILE A 42 8.410 -5.381 2.717 1.00 10.31 C ATOM 627 CG1 ILE A 42 9.124 -4.031 2.606 1.00 12.34 C ATOM 628 CG2 ILE A 42 9.038 -6.228 3.819 1.00 42.11 C ATOM 629 CD1 ILE A 42 9.052 -3.198 3.863 1.00 64.23 C ATOM 0 H ILE A 42 6.832 -5.291 0.339 1.00 75.23 H new ATOM 0 HA ILE A 42 9.502 -6.283 1.088 1.00 32.45 H new ATOM 0 HB ILE A 42 7.366 -5.208 2.979 1.00 10.31 H new ATOM 0 HG12 ILE A 42 10.171 -4.204 2.355 1.00 12.34 H new ATOM 0 HG13 ILE A 42 8.688 -3.467 1.782 1.00 12.34 H new ATOM 0 HG21 ILE A 42 8.991 -5.688 4.765 1.00 42.11 H new ATOM 0 HG22 ILE A 42 8.493 -7.168 3.911 1.00 42.11 H new ATOM 0 HG23 ILE A 42 10.079 -6.435 3.571 1.00 42.11 H new ATOM 0 HD11 ILE A 42 9.580 -2.257 3.707 1.00 64.23 H new ATOM 0 HD12 ILE A 42 8.009 -2.993 4.104 1.00 64.23 H new ATOM 0 HD13 ILE A 42 9.515 -3.741 4.687 1.00 64.23 H new ATOM 640 N ASN A 43 8.512 -8.548 1.466 1.00 21.20 N ATOM 641 CA ASN A 43 7.944 -9.877 1.660 1.00 32.13 C ATOM 642 C ASN A 43 7.801 -10.183 3.144 1.00 1.44 C ATOM 643 O ASN A 43 8.751 -10.030 3.913 1.00 32.40 O ATOM 644 CB ASN A 43 8.802 -10.972 1.004 1.00 63.32 C ATOM 645 CG ASN A 43 8.717 -10.994 -0.514 1.00 0.11 C ATOM 646 OD1 ASN A 43 7.767 -10.494 -1.111 1.00 42.41 O ATOM 647 ND2 ASN A 43 9.687 -11.637 -1.148 1.00 31.21 N ATOM 0 H ASN A 43 9.520 -8.536 1.313 1.00 21.20 H new ATOM 0 HA ASN A 43 6.964 -9.875 1.183 1.00 32.13 H new ATOM 0 HB2 ASN A 43 9.842 -10.830 1.298 1.00 63.32 H new ATOM 0 HB3 ASN A 43 8.492 -11.943 1.390 1.00 63.32 H new ATOM 0 HD21 ASN A 43 9.659 -11.729 -2.163 1.00 31.21 H new ATOM 0 HD22 ASN A 43 10.461 -12.040 -0.620 1.00 31.21 H new ATOM 653 N ILE A 44 6.608 -10.605 3.543 1.00 53.04 N ATOM 654 CA ILE A 44 6.366 -11.022 4.920 1.00 70.51 C ATOM 655 C ILE A 44 7.190 -12.268 5.241 1.00 5.24 C ATOM 656 O ILE A 44 7.869 -12.327 6.269 1.00 50.14 O ATOM 657 CB ILE A 44 4.862 -11.282 5.186 1.00 42.30 C ATOM 658 CG1 ILE A 44 4.271 -12.229 4.132 1.00 5.22 C ATOM 659 CG2 ILE A 44 4.102 -9.960 5.207 1.00 22.24 C ATOM 660 CD1 ILE A 44 2.817 -12.567 4.366 1.00 61.02 C ATOM 0 H ILE A 44 5.792 -10.668 2.934 1.00 53.04 H new ATOM 0 HA ILE A 44 6.676 -10.208 5.576 1.00 70.51 H new ATOM 0 HB ILE A 44 4.761 -11.763 6.159 1.00 42.30 H new ATOM 0 HG12 ILE A 44 4.375 -11.773 3.148 1.00 5.22 H new ATOM 0 HG13 ILE A 44 4.852 -13.151 4.119 1.00 5.22 H new ATOM 0 HG21 ILE A 44 3.045 -10.151 5.394 1.00 22.24 H new ATOM 0 HG22 ILE A 44 4.501 -9.323 5.996 1.00 22.24 H new ATOM 0 HG23 ILE A 44 4.215 -9.460 4.245 1.00 22.24 H new ATOM 0 HD11 ILE A 44 2.469 -13.240 3.582 1.00 61.02 H new ATOM 0 HD12 ILE A 44 2.708 -13.053 5.336 1.00 61.02 H new ATOM 0 HD13 ILE A 44 2.224 -11.653 4.349 1.00 61.02 H new ATOM 671 N ASP A 45 7.126 -13.238 4.328 1.00 50.11 N ATOM 672 CA ASP A 45 7.935 -14.460 4.362 1.00 31.32 C ATOM 673 C ASP A 45 8.008 -15.110 5.748 1.00 52.03 C ATOM 674 O ASP A 45 7.095 -15.835 6.143 1.00 74.32 O ATOM 675 CB ASP A 45 9.348 -14.184 3.823 1.00 44.24 C ATOM 676 CG ASP A 45 10.193 -15.440 3.720 1.00 74.11 C ATOM 677 OD1 ASP A 45 9.871 -16.315 2.890 1.00 73.01 O ATOM 678 OD2 ASP A 45 11.190 -15.554 4.465 1.00 24.15 O ATOM 0 H ASP A 45 6.497 -13.196 3.526 1.00 50.11 H new ATOM 0 HA ASP A 45 7.430 -15.178 3.716 1.00 31.32 H new ATOM 0 HB2 ASP A 45 9.273 -13.720 2.839 1.00 44.24 H new ATOM 0 HB3 ASP A 45 9.848 -13.468 4.475 1.00 44.24 H new ATOM 682 N GLY A 46 9.079 -14.831 6.485 1.00 43.22 N ATOM 683 CA GLY A 46 9.336 -15.539 7.725 1.00 1.52 C ATOM 684 C GLY A 46 8.800 -14.828 8.945 1.00 73.02 C ATOM 685 O GLY A 46 8.887 -15.348 10.057 1.00 24.24 O ATOM 0 H GLY A 46 9.775 -14.125 6.244 1.00 43.22 H new ATOM 0 HA2 GLY A 46 8.890 -16.532 7.667 1.00 1.52 H new ATOM 0 HA3 GLY A 46 10.411 -15.679 7.838 1.00 1.52 H new ATOM 689 N ASN A 47 8.251 -13.642 8.753 1.00 32.14 N ATOM 690 CA ASN A 47 7.677 -12.900 9.862 1.00 53.23 C ATOM 691 C ASN A 47 6.283 -13.420 10.160 1.00 14.30 C ATOM 692 O ASN A 47 5.301 -12.872 9.671 1.00 54.32 O ATOM 693 CB ASN A 47 7.611 -11.398 9.567 1.00 42.42 C ATOM 694 CG ASN A 47 8.972 -10.770 9.343 1.00 22.53 C ATOM 695 OD1 ASN A 47 9.646 -10.362 10.291 1.00 44.43 O ATOM 696 ND2 ASN A 47 9.383 -10.689 8.090 1.00 71.21 N ATOM 0 H ASN A 47 8.190 -13.175 7.848 1.00 32.14 H new ATOM 0 HA ASN A 47 8.323 -13.045 10.728 1.00 53.23 H new ATOM 0 HB2 ASN A 47 6.994 -11.235 8.683 1.00 42.42 H new ATOM 0 HB3 ASN A 47 7.118 -10.893 10.398 1.00 42.42 H new ATOM 0 HD21 ASN A 47 10.291 -10.276 7.877 1.00 71.21 H new ATOM 0 HD22 ASN A 47 8.792 -11.040 7.336 1.00 71.21 H new ATOM 702 N GLU A 48 6.213 -14.486 10.951 1.00 33.21 N ATOM 703 CA GLU A 48 4.943 -15.131 11.287 1.00 73.03 C ATOM 704 C GLU A 48 3.945 -14.122 11.846 1.00 73.40 C ATOM 705 O GLU A 48 2.736 -14.245 11.635 1.00 63.31 O ATOM 706 CB GLU A 48 5.172 -16.264 12.292 1.00 42.45 C ATOM 707 CG GLU A 48 6.176 -17.303 11.817 1.00 23.33 C ATOM 708 CD GLU A 48 5.782 -17.952 10.503 1.00 42.45 C ATOM 709 OE1 GLU A 48 4.986 -18.914 10.520 1.00 61.51 O ATOM 710 OE2 GLU A 48 6.273 -17.511 9.446 1.00 14.52 O ATOM 0 H GLU A 48 7.028 -14.927 11.376 1.00 33.21 H new ATOM 0 HA GLU A 48 4.524 -15.549 10.372 1.00 73.03 H new ATOM 0 HB2 GLU A 48 5.519 -15.839 13.234 1.00 42.45 H new ATOM 0 HB3 GLU A 48 4.221 -16.756 12.496 1.00 42.45 H new ATOM 0 HG2 GLU A 48 7.152 -16.832 11.705 1.00 23.33 H new ATOM 0 HG3 GLU A 48 6.280 -18.075 12.580 1.00 23.33 H new ATOM 715 N HIS A 49 4.466 -13.119 12.548 1.00 43.41 N ATOM 716 CA HIS A 49 3.647 -12.025 13.061 1.00 15.42 C ATOM 717 C HIS A 49 2.866 -11.362 11.923 1.00 43.14 C ATOM 718 O HIS A 49 1.666 -11.123 12.040 1.00 72.41 O ATOM 719 CB HIS A 49 4.540 -10.996 13.774 1.00 71.34 C ATOM 720 CG HIS A 49 3.825 -9.751 14.213 1.00 33.11 C ATOM 721 ND1 HIS A 49 4.283 -8.487 13.921 1.00 55.53 N ATOM 722 CD2 HIS A 49 2.692 -9.581 14.937 1.00 33.04 C ATOM 723 CE1 HIS A 49 3.467 -7.594 14.445 1.00 41.34 C ATOM 724 NE2 HIS A 49 2.489 -8.228 15.065 1.00 34.50 N ATOM 0 H HIS A 49 5.457 -13.042 12.775 1.00 43.41 H new ATOM 0 HA HIS A 49 2.930 -12.425 13.777 1.00 15.42 H new ATOM 0 HB2 HIS A 49 4.991 -11.468 14.647 1.00 71.34 H new ATOM 0 HB3 HIS A 49 5.355 -10.716 13.106 1.00 71.34 H new ATOM 0 HD2 HIS A 49 2.065 -10.363 15.339 1.00 33.04 H new ATOM 0 HE1 HIS A 49 3.580 -6.522 14.378 1.00 41.34 H new ATOM 0 HE2 HIS A 49 1.712 -7.787 15.557 1.00 34.50 H new ATOM 731 N LEU A 50 3.556 -11.073 10.828 1.00 51.34 N ATOM 732 CA LEU A 50 2.929 -10.453 9.668 1.00 62.24 C ATOM 733 C LEU A 50 2.154 -11.483 8.854 1.00 71.24 C ATOM 734 O LEU A 50 1.063 -11.199 8.361 1.00 54.00 O ATOM 735 CB LEU A 50 3.981 -9.778 8.785 1.00 33.30 C ATOM 736 CG LEU A 50 4.788 -8.664 9.457 1.00 34.22 C ATOM 737 CD1 LEU A 50 5.748 -8.027 8.460 1.00 41.15 C ATOM 738 CD2 LEU A 50 3.860 -7.614 10.045 1.00 33.22 C ATOM 0 H LEU A 50 4.553 -11.259 10.718 1.00 51.34 H new ATOM 0 HA LEU A 50 2.231 -9.697 10.028 1.00 62.24 H new ATOM 0 HB2 LEU A 50 4.674 -10.540 8.428 1.00 33.30 H new ATOM 0 HB3 LEU A 50 3.483 -9.364 7.908 1.00 33.30 H new ATOM 0 HG LEU A 50 5.371 -9.102 10.268 1.00 34.22 H new ATOM 0 HD11 LEU A 50 6.314 -7.237 8.954 1.00 41.15 H new ATOM 0 HD12 LEU A 50 6.435 -8.784 8.082 1.00 41.15 H new ATOM 0 HD13 LEU A 50 5.182 -7.604 7.630 1.00 41.15 H new ATOM 0 HD21 LEU A 50 4.451 -6.830 10.519 1.00 33.22 H new ATOM 0 HD22 LEU A 50 3.252 -7.180 9.251 1.00 33.22 H new ATOM 0 HD23 LEU A 50 3.211 -8.077 10.788 1.00 33.22 H new ATOM 749 N THR A 51 2.723 -12.677 8.717 1.00 72.33 N ATOM 750 CA THR A 51 2.119 -13.739 7.923 1.00 41.24 C ATOM 751 C THR A 51 0.700 -14.065 8.395 1.00 53.45 C ATOM 752 O THR A 51 -0.192 -14.241 7.583 1.00 71.44 O ATOM 753 CB THR A 51 2.983 -15.017 7.954 1.00 13.31 C ATOM 754 OG1 THR A 51 4.359 -14.669 7.762 1.00 73.32 O ATOM 755 CG2 THR A 51 2.559 -15.984 6.858 1.00 32.23 C ATOM 0 H THR A 51 3.610 -12.933 9.151 1.00 72.33 H new ATOM 0 HA THR A 51 2.063 -13.372 6.898 1.00 41.24 H new ATOM 0 HB THR A 51 2.848 -15.500 8.922 1.00 13.31 H new ATOM 0 HG1 THR A 51 4.663 -14.113 8.509 1.00 73.32 H new ATOM 0 HG21 THR A 51 3.182 -16.877 6.900 1.00 32.23 H new ATOM 0 HG22 THR A 51 1.515 -16.263 7.003 1.00 32.23 H new ATOM 0 HG23 THR A 51 2.675 -15.506 5.886 1.00 32.23 H new ATOM 763 N ARG A 52 0.489 -14.120 9.708 1.00 13.30 N ATOM 764 CA ARG A 52 -0.840 -14.403 10.253 1.00 2.40 C ATOM 765 C ARG A 52 -1.839 -13.323 9.852 1.00 43.54 C ATOM 766 O ARG A 52 -3.017 -13.598 9.609 1.00 33.53 O ATOM 767 CB ARG A 52 -0.798 -14.500 11.775 1.00 72.20 C ATOM 768 CG ARG A 52 -0.101 -15.738 12.301 1.00 23.20 C ATOM 769 CD ARG A 52 -0.185 -15.796 13.817 1.00 23.00 C ATOM 770 NE ARG A 52 0.396 -17.015 14.361 1.00 62.31 N ATOM 771 CZ ARG A 52 0.383 -17.327 15.654 1.00 71.31 C ATOM 772 NH1 ARG A 52 -0.183 -16.505 16.534 1.00 25.21 N ATOM 773 NH2 ARG A 52 0.932 -18.464 16.059 1.00 20.31 N ATOM 0 H ARG A 52 1.214 -13.974 10.411 1.00 13.30 H new ATOM 0 HA ARG A 52 -1.160 -15.359 9.839 1.00 2.40 H new ATOM 0 HB2 ARG A 52 -0.294 -13.618 12.170 1.00 72.20 H new ATOM 0 HB3 ARG A 52 -1.819 -14.482 12.157 1.00 72.20 H new ATOM 0 HG2 ARG A 52 -0.558 -16.629 11.872 1.00 23.20 H new ATOM 0 HG3 ARG A 52 0.943 -15.734 11.989 1.00 23.20 H new ATOM 0 HD2 ARG A 52 0.329 -14.932 14.239 1.00 23.00 H new ATOM 0 HD3 ARG A 52 -1.229 -15.727 14.123 1.00 23.00 H new ATOM 0 HE ARG A 52 0.838 -17.667 13.714 1.00 62.31 H new ATOM 0 HH11 ARG A 52 -0.608 -15.633 16.218 1.00 25.21 H new ATOM 0 HH12 ARG A 52 -0.192 -16.746 17.525 1.00 25.21 H new ATOM 0 HH21 ARG A 52 1.361 -19.093 15.380 1.00 20.31 H new ATOM 0 HH22 ARG A 52 0.925 -18.709 17.049 1.00 20.31 H new ATOM 784 N LEU A 53 -1.351 -12.098 9.778 1.00 54.31 N ATOM 785 CA LEU A 53 -2.188 -10.949 9.480 1.00 64.34 C ATOM 786 C LEU A 53 -2.492 -10.856 7.988 1.00 74.43 C ATOM 787 O LEU A 53 -3.646 -10.704 7.587 1.00 62.23 O ATOM 788 CB LEU A 53 -1.489 -9.663 9.932 1.00 24.34 C ATOM 789 CG LEU A 53 -1.265 -9.525 11.436 1.00 62.12 C ATOM 790 CD1 LEU A 53 -0.243 -8.435 11.716 1.00 22.22 C ATOM 791 CD2 LEU A 53 -2.575 -9.198 12.128 1.00 30.44 C ATOM 0 H LEU A 53 -0.367 -11.872 9.922 1.00 54.31 H new ATOM 0 HA LEU A 53 -3.128 -11.072 10.019 1.00 64.34 H new ATOM 0 HB2 LEU A 53 -0.522 -9.602 9.432 1.00 24.34 H new ATOM 0 HB3 LEU A 53 -2.079 -8.812 9.591 1.00 24.34 H new ATOM 0 HG LEU A 53 -0.886 -10.471 11.823 1.00 62.12 H new ATOM 0 HD11 LEU A 53 -0.092 -8.346 12.792 1.00 22.22 H new ATOM 0 HD12 LEU A 53 0.702 -8.690 11.236 1.00 22.22 H new ATOM 0 HD13 LEU A 53 -0.606 -7.486 11.321 1.00 22.22 H new ATOM 0 HD21 LEU A 53 -2.406 -9.101 13.200 1.00 30.44 H new ATOM 0 HD22 LEU A 53 -2.969 -8.260 11.737 1.00 30.44 H new ATOM 0 HD23 LEU A 53 -3.293 -9.997 11.945 1.00 30.44 H new ATOM 802 N TYR A 54 -1.452 -10.971 7.174 1.00 63.14 N ATOM 803 CA TYR A 54 -1.556 -10.638 5.762 1.00 4.04 C ATOM 804 C TYR A 54 -1.382 -11.852 4.846 1.00 12.21 C ATOM 805 O TYR A 54 -1.193 -11.678 3.651 1.00 51.22 O ATOM 806 CB TYR A 54 -0.508 -9.575 5.401 1.00 64.24 C ATOM 807 CG TYR A 54 -0.558 -8.335 6.271 1.00 42.51 C ATOM 808 CD1 TYR A 54 -1.399 -7.270 5.958 1.00 71.32 C ATOM 809 CD2 TYR A 54 0.243 -8.226 7.399 1.00 13.52 C ATOM 810 CE1 TYR A 54 -1.433 -6.135 6.746 1.00 43.41 C ATOM 811 CE2 TYR A 54 0.210 -7.095 8.193 1.00 1.12 C ATOM 812 CZ TYR A 54 -0.630 -6.055 7.863 1.00 33.43 C ATOM 813 OH TYR A 54 -0.656 -4.921 8.646 1.00 14.12 O ATOM 0 H TYR A 54 -0.529 -11.292 7.467 1.00 63.14 H new ATOM 0 HA TYR A 54 -2.564 -10.255 5.602 1.00 4.04 H new ATOM 0 HB2 TYR A 54 0.485 -10.019 5.477 1.00 64.24 H new ATOM 0 HB3 TYR A 54 -0.648 -9.281 4.361 1.00 64.24 H new ATOM 0 HD1 TYR A 54 -2.034 -7.332 5.087 1.00 71.32 H new ATOM 0 HD2 TYR A 54 0.904 -9.039 7.661 1.00 13.52 H new ATOM 0 HE1 TYR A 54 -2.086 -5.315 6.487 1.00 43.41 H new ATOM 0 HE2 TYR A 54 0.840 -7.027 9.068 1.00 1.12 H new ATOM 0 HH TYR A 54 -0.033 -5.026 9.395 1.00 14.12 H new ATOM 822 N ASN A 55 -1.463 -13.067 5.389 1.00 50.01 N ATOM 823 CA ASN A 55 -1.313 -14.287 4.575 1.00 14.34 C ATOM 824 C ASN A 55 -2.270 -14.281 3.385 1.00 43.12 C ATOM 825 O ASN A 55 -1.853 -14.428 2.236 1.00 52.13 O ATOM 826 CB ASN A 55 -1.560 -15.548 5.415 1.00 43.41 C ATOM 827 CG ASN A 55 -1.390 -16.834 4.624 1.00 34.14 C ATOM 828 OD1 ASN A 55 -2.337 -17.348 4.035 1.00 52.40 O ATOM 829 ND2 ASN A 55 -0.177 -17.368 4.616 1.00 24.52 N ATOM 0 H ASN A 55 -1.630 -13.239 6.380 1.00 50.01 H new ATOM 0 HA ASN A 55 -0.287 -14.299 4.206 1.00 14.34 H new ATOM 0 HB2 ASN A 55 -0.872 -15.555 6.260 1.00 43.41 H new ATOM 0 HB3 ASN A 55 -2.569 -15.512 5.826 1.00 43.41 H new ATOM 0 HD21 ASN A 55 -0.005 -18.236 4.108 1.00 24.52 H new ATOM 0 HD22 ASN A 55 0.585 -16.911 5.118 1.00 24.52 H new ATOM 835 N ASP A 56 -3.553 -14.096 3.669 1.00 35.01 N ATOM 836 CA ASP A 56 -4.579 -14.084 2.625 1.00 12.34 C ATOM 837 C ASP A 56 -4.744 -12.681 2.057 1.00 31.00 C ATOM 838 O ASP A 56 -5.542 -12.451 1.145 1.00 43.24 O ATOM 839 CB ASP A 56 -5.927 -14.568 3.177 1.00 63.44 C ATOM 840 CG ASP A 56 -6.535 -13.604 4.179 1.00 63.22 C ATOM 841 OD1 ASP A 56 -7.213 -12.642 3.758 1.00 22.41 O ATOM 842 OD2 ASP A 56 -6.346 -13.801 5.398 1.00 62.52 O ATOM 0 H ASP A 56 -3.912 -13.952 4.613 1.00 35.01 H new ATOM 0 HA ASP A 56 -4.256 -14.760 1.834 1.00 12.34 H new ATOM 0 HB2 ASP A 56 -6.622 -14.711 2.350 1.00 63.44 H new ATOM 0 HB3 ASP A 56 -5.792 -15.540 3.651 1.00 63.44 H new ATOM 846 N ARG A 57 -3.970 -11.751 2.591 1.00 71.25 N ATOM 847 CA ARG A 57 -4.119 -10.343 2.265 1.00 15.32 C ATOM 848 C ARG A 57 -2.959 -9.866 1.406 1.00 12.22 C ATOM 849 O ARG A 57 -2.884 -8.681 1.110 1.00 14.03 O ATOM 850 CB ARG A 57 -4.120 -9.500 3.547 1.00 24.53 C ATOM 851 CG ARG A 57 -4.975 -10.048 4.676 1.00 42.32 C ATOM 852 CD ARG A 57 -6.279 -9.284 4.812 1.00 73.35 C ATOM 853 NE ARG A 57 -7.244 -9.634 3.776 1.00 52.43 N ATOM 854 CZ ARG A 57 -8.137 -8.778 3.283 1.00 23.04 C ATOM 855 NH1 ARG A 57 -8.094 -7.493 3.629 1.00 12.33 N ATOM 856 NH2 ARG A 57 -9.058 -9.201 2.427 1.00 43.03 N ATOM 0 H ARG A 57 -3.225 -11.949 3.259 1.00 71.25 H new ATOM 0 HA ARG A 57 -5.060 -10.228 1.727 1.00 15.32 H new ATOM 0 HB2 ARG A 57 -3.094 -9.405 3.902 1.00 24.53 H new ATOM 0 HB3 ARG A 57 -4.467 -8.496 3.303 1.00 24.53 H new ATOM 0 HG2 ARG A 57 -5.187 -11.101 4.494 1.00 42.32 H new ATOM 0 HG3 ARG A 57 -4.421 -9.992 5.613 1.00 42.32 H new ATOM 0 HD2 ARG A 57 -6.713 -9.485 5.791 1.00 73.35 H new ATOM 0 HD3 ARG A 57 -6.075 -8.214 4.767 1.00 73.35 H new ATOM 0 HE ARG A 57 -7.234 -10.586 3.409 1.00 52.43 H new ATOM 0 HH11 ARG A 57 -7.376 -7.162 4.273 1.00 12.33 H new ATOM 0 HH12 ARG A 57 -8.779 -6.840 3.250 1.00 12.33 H new ATOM 0 HH21 ARG A 57 -9.082 -10.181 2.147 1.00 43.03 H new ATOM 0 HH22 ARG A 57 -9.742 -8.546 2.049 1.00 43.03 H new ATOM 867 N VAL A 58 -2.078 -10.795 1.004 1.00 43.32 N ATOM 868 CA VAL A 58 -0.755 -10.451 0.479 1.00 71.35 C ATOM 869 C VAL A 58 -0.766 -9.474 -0.703 1.00 70.44 C ATOM 870 O VAL A 58 -1.819 -9.007 -1.141 1.00 13.34 O ATOM 871 CB VAL A 58 0.094 -11.687 0.152 1.00 71.12 C ATOM 872 CG1 VAL A 58 0.702 -12.259 1.412 1.00 73.14 C ATOM 873 CG2 VAL A 58 -0.710 -12.711 -0.611 1.00 14.24 C ATOM 0 H VAL A 58 -2.264 -11.797 1.035 1.00 43.32 H new ATOM 0 HA VAL A 58 -0.283 -9.919 1.305 1.00 71.35 H new ATOM 0 HB VAL A 58 0.915 -11.385 -0.498 1.00 71.12 H new ATOM 0 HG11 VAL A 58 1.301 -13.135 1.162 1.00 73.14 H new ATOM 0 HG12 VAL A 58 1.336 -11.508 1.883 1.00 73.14 H new ATOM 0 HG13 VAL A 58 -0.092 -12.547 2.101 1.00 73.14 H new ATOM 0 HG21 VAL A 58 -0.084 -13.576 -0.829 1.00 14.24 H new ATOM 0 HG22 VAL A 58 -1.564 -13.024 -0.011 1.00 14.24 H new ATOM 0 HG23 VAL A 58 -1.063 -12.274 -1.545 1.00 14.24 H new ATOM 883 N PRO A 59 0.408 -9.272 -1.332 1.00 0.14 N ATOM 884 CA PRO A 59 0.921 -7.966 -1.599 1.00 4.32 C ATOM 885 C PRO A 59 -0.052 -6.842 -1.264 1.00 42.24 C ATOM 886 O PRO A 59 -0.718 -6.334 -2.132 1.00 15.44 O ATOM 887 CB PRO A 59 1.261 -8.053 -3.074 1.00 41.13 C ATOM 888 CG PRO A 59 1.756 -9.458 -3.242 1.00 54.30 C ATOM 889 CD PRO A 59 1.224 -10.256 -2.064 1.00 33.20 C ATOM 0 HA PRO A 59 1.775 -7.707 -0.974 1.00 4.32 H new ATOM 0 HB2 PRO A 59 0.389 -7.858 -3.698 1.00 41.13 H new ATOM 0 HB3 PRO A 59 2.022 -7.324 -3.353 1.00 41.13 H new ATOM 0 HG2 PRO A 59 1.407 -9.881 -4.184 1.00 54.30 H new ATOM 0 HG3 PRO A 59 2.845 -9.484 -3.266 1.00 54.30 H new ATOM 0 HD2 PRO A 59 0.629 -11.109 -2.391 1.00 33.20 H new ATOM 0 HD3 PRO A 59 2.031 -10.649 -1.446 1.00 33.20 H new ATOM 894 N VAL A 60 -0.098 -6.455 0.011 1.00 54.34 N ATOM 895 CA VAL A 60 -1.107 -5.507 0.516 1.00 32.15 C ATOM 896 C VAL A 60 -0.615 -4.075 0.421 1.00 24.20 C ATOM 897 O VAL A 60 0.575 -3.841 0.343 1.00 31.13 O ATOM 898 CB VAL A 60 -1.415 -5.746 2.010 1.00 21.55 C ATOM 899 CG1 VAL A 60 -2.892 -5.559 2.308 1.00 63.41 C ATOM 900 CG2 VAL A 60 -0.933 -7.108 2.466 1.00 30.53 C ATOM 0 H VAL A 60 0.555 -6.783 0.723 1.00 54.34 H new ATOM 0 HA VAL A 60 -1.993 -5.667 -0.099 1.00 32.15 H new ATOM 0 HB VAL A 60 -0.865 -4.996 2.578 1.00 21.55 H new ATOM 0 HG11 VAL A 60 -3.074 -5.735 3.368 1.00 63.41 H new ATOM 0 HG12 VAL A 60 -3.189 -4.542 2.052 1.00 63.41 H new ATOM 0 HG13 VAL A 60 -3.475 -6.266 1.718 1.00 63.41 H new ATOM 0 HG21 VAL A 60 -1.166 -7.242 3.522 1.00 30.53 H new ATOM 0 HG22 VAL A 60 -1.430 -7.884 1.883 1.00 30.53 H new ATOM 0 HG23 VAL A 60 0.145 -7.180 2.321 1.00 30.53 H new ATOM 910 N LEU A 61 -1.530 -3.118 0.453 1.00 44.23 N ATOM 911 CA LEU A 61 -1.142 -1.727 0.588 1.00 13.41 C ATOM 912 C LEU A 61 -1.256 -1.303 2.039 1.00 23.14 C ATOM 913 O LEU A 61 -2.354 -1.079 2.557 1.00 21.52 O ATOM 914 CB LEU A 61 -1.982 -0.814 -0.298 1.00 62.14 C ATOM 915 CG LEU A 61 -1.644 -0.873 -1.784 1.00 21.54 C ATOM 916 CD1 LEU A 61 -2.431 0.178 -2.542 1.00 54.44 C ATOM 917 CD2 LEU A 61 -0.144 -0.688 -2.006 1.00 1.41 C ATOM 0 H LEU A 61 -2.535 -3.279 0.388 1.00 44.23 H new ATOM 0 HA LEU A 61 -0.107 -1.634 0.260 1.00 13.41 H new ATOM 0 HB2 LEU A 61 -3.033 -1.073 -0.169 1.00 62.14 H new ATOM 0 HB3 LEU A 61 -1.862 0.213 0.047 1.00 62.14 H new ATOM 0 HG LEU A 61 -1.922 -1.856 -2.163 1.00 21.54 H new ATOM 0 HD11 LEU A 61 -2.181 0.126 -3.602 1.00 54.44 H new ATOM 0 HD12 LEU A 61 -3.498 -0.002 -2.412 1.00 54.44 H new ATOM 0 HD13 LEU A 61 -2.181 1.167 -2.158 1.00 54.44 H new ATOM 0 HD21 LEU A 61 0.074 -0.734 -3.073 1.00 1.41 H new ATOM 0 HD22 LEU A 61 0.165 0.281 -1.613 1.00 1.41 H new ATOM 0 HD23 LEU A 61 0.400 -1.479 -1.490 1.00 1.41 H new ATOM 928 N PHE A 62 -0.116 -1.225 2.687 1.00 61.01 N ATOM 929 CA PHE A 62 -0.049 -0.885 4.089 1.00 45.30 C ATOM 930 C PHE A 62 0.165 0.609 4.272 1.00 42.43 C ATOM 931 O PHE A 62 1.073 1.193 3.678 1.00 61.43 O ATOM 932 CB PHE A 62 1.084 -1.673 4.744 1.00 54.55 C ATOM 933 CG PHE A 62 1.372 -1.263 6.157 1.00 43.43 C ATOM 934 CD1 PHE A 62 0.492 -1.578 7.177 1.00 71.25 C ATOM 935 CD2 PHE A 62 2.534 -0.574 6.459 1.00 33.43 C ATOM 936 CE1 PHE A 62 0.770 -1.209 8.481 1.00 64.43 C ATOM 937 CE2 PHE A 62 2.817 -0.200 7.755 1.00 11.34 C ATOM 938 CZ PHE A 62 1.935 -0.518 8.769 1.00 64.25 C ATOM 0 H PHE A 62 0.792 -1.396 2.255 1.00 61.01 H new ATOM 0 HA PHE A 62 -0.994 -1.147 4.565 1.00 45.30 H new ATOM 0 HB2 PHE A 62 0.832 -2.733 4.728 1.00 54.55 H new ATOM 0 HB3 PHE A 62 1.989 -1.551 4.149 1.00 54.55 H new ATOM 0 HD1 PHE A 62 -0.418 -2.115 6.954 1.00 71.25 H new ATOM 0 HD2 PHE A 62 3.228 -0.326 5.669 1.00 33.43 H new ATOM 0 HE1 PHE A 62 0.080 -1.459 9.273 1.00 64.43 H new ATOM 0 HE2 PHE A 62 3.726 0.340 7.977 1.00 11.34 H new ATOM 0 HZ PHE A 62 2.154 -0.228 9.786 1.00 64.25 H new ATOM 947 N ALA A 63 -0.681 1.222 5.087 1.00 40.33 N ATOM 948 CA ALA A 63 -0.553 2.634 5.393 1.00 15.23 C ATOM 949 C ALA A 63 0.553 2.854 6.418 1.00 1.41 C ATOM 950 O ALA A 63 0.371 2.600 7.609 1.00 61.01 O ATOM 951 CB ALA A 63 -1.873 3.190 5.894 1.00 72.42 C ATOM 0 H ALA A 63 -1.465 0.760 5.548 1.00 40.33 H new ATOM 0 HA ALA A 63 -0.285 3.167 4.481 1.00 15.23 H new ATOM 0 HB1 ALA A 63 -1.759 4.250 6.119 1.00 72.42 H new ATOM 0 HB2 ALA A 63 -2.637 3.062 5.127 1.00 72.42 H new ATOM 0 HB3 ALA A 63 -2.173 2.658 6.797 1.00 72.42 H new ATOM 957 N VAL A 64 1.701 3.315 5.937 1.00 43.42 N ATOM 958 CA VAL A 64 2.879 3.499 6.772 1.00 10.34 C ATOM 959 C VAL A 64 2.649 4.601 7.801 1.00 63.22 C ATOM 960 O VAL A 64 1.910 5.551 7.539 1.00 14.21 O ATOM 961 CB VAL A 64 4.108 3.835 5.893 1.00 2.42 C ATOM 962 CG1 VAL A 64 5.373 4.000 6.716 1.00 51.12 C ATOM 963 CG2 VAL A 64 4.304 2.753 4.841 1.00 51.43 C ATOM 0 H VAL A 64 1.840 3.571 4.960 1.00 43.42 H new ATOM 0 HA VAL A 64 3.069 2.568 7.306 1.00 10.34 H new ATOM 0 HB VAL A 64 3.912 4.790 5.405 1.00 2.42 H new ATOM 0 HG11 VAL A 64 6.208 4.235 6.056 1.00 51.12 H new ATOM 0 HG12 VAL A 64 5.238 4.810 7.433 1.00 51.12 H new ATOM 0 HG13 VAL A 64 5.583 3.074 7.251 1.00 51.12 H new ATOM 0 HG21 VAL A 64 5.171 2.996 4.226 1.00 51.43 H new ATOM 0 HG22 VAL A 64 4.465 1.793 5.332 1.00 51.43 H new ATOM 0 HG23 VAL A 64 3.417 2.694 4.210 1.00 51.43 H new ATOM 973 N ASN A 65 3.258 4.424 8.980 1.00 1.41 N ATOM 974 CA ASN A 65 3.219 5.394 10.083 1.00 60.30 C ATOM 975 C ASN A 65 1.935 5.304 10.902 1.00 52.40 C ATOM 976 O ASN A 65 1.950 5.562 12.103 1.00 73.01 O ATOM 977 CB ASN A 65 3.441 6.832 9.599 1.00 51.23 C ATOM 978 CG ASN A 65 4.842 7.052 9.063 1.00 13.43 C ATOM 979 OD1 ASN A 65 5.792 6.389 9.485 1.00 45.31 O ATOM 980 ND2 ASN A 65 4.991 7.995 8.146 1.00 50.25 N ATOM 0 H ASN A 65 3.801 3.589 9.199 1.00 1.41 H new ATOM 0 HA ASN A 65 4.048 5.124 10.738 1.00 60.30 H new ATOM 0 HB2 ASN A 65 2.716 7.066 8.820 1.00 51.23 H new ATOM 0 HB3 ASN A 65 3.258 7.522 10.423 1.00 51.23 H new ATOM 0 HD21 ASN A 65 5.916 8.194 7.764 1.00 50.25 H new ATOM 0 HD22 ASN A 65 4.181 8.523 7.821 1.00 50.25 H new ATOM 986 N GLU A 66 0.833 4.941 10.268 1.00 43.24 N ATOM 987 CA GLU A 66 -0.443 4.836 10.970 1.00 14.33 C ATOM 988 C GLU A 66 -0.755 3.392 11.350 1.00 74.40 C ATOM 989 O GLU A 66 -1.695 3.134 12.104 1.00 53.44 O ATOM 990 CB GLU A 66 -1.574 5.417 10.121 1.00 72.42 C ATOM 991 CG GLU A 66 -1.534 6.933 10.025 1.00 42.33 C ATOM 992 CD GLU A 66 -2.716 7.504 9.267 1.00 2.22 C ATOM 993 OE1 GLU A 66 -3.820 6.927 9.353 1.00 33.24 O ATOM 994 OE2 GLU A 66 -2.549 8.549 8.599 1.00 61.11 O ATOM 0 H GLU A 66 0.792 4.714 9.274 1.00 43.24 H new ATOM 0 HA GLU A 66 -0.361 5.414 11.890 1.00 14.33 H new ATOM 0 HB2 GLU A 66 -1.520 4.995 9.118 1.00 72.42 H new ATOM 0 HB3 GLU A 66 -2.531 5.112 10.544 1.00 72.42 H new ATOM 0 HG2 GLU A 66 -1.514 7.356 11.029 1.00 42.33 H new ATOM 0 HG3 GLU A 66 -0.611 7.237 9.532 1.00 42.33 H new ATOM 999 N ASP A 67 0.049 2.464 10.825 1.00 52.42 N ATOM 1000 CA ASP A 67 -0.104 1.024 11.084 1.00 53.44 C ATOM 1001 C ASP A 67 -1.550 0.570 10.903 1.00 52.42 C ATOM 1002 O ASP A 67 -2.270 0.311 11.871 1.00 73.34 O ATOM 1003 CB ASP A 67 0.398 0.653 12.487 1.00 23.11 C ATOM 1004 CG ASP A 67 0.391 -0.847 12.741 1.00 3.12 C ATOM 1005 OD1 ASP A 67 0.859 -1.609 11.870 1.00 10.00 O ATOM 1006 OD2 ASP A 67 -0.077 -1.271 13.822 1.00 41.43 O ATOM 0 H ASP A 67 0.828 2.688 10.206 1.00 52.42 H new ATOM 0 HA ASP A 67 0.509 0.502 10.349 1.00 53.44 H new ATOM 0 HB2 ASP A 67 1.411 1.034 12.617 1.00 23.11 H new ATOM 0 HB3 ASP A 67 -0.226 1.146 13.233 1.00 23.11 H new ATOM 1010 N LYS A 68 -1.974 0.497 9.652 1.00 5.14 N ATOM 1011 CA LYS A 68 -3.339 0.122 9.327 1.00 2.55 C ATOM 1012 C LYS A 68 -3.422 -0.349 7.882 1.00 24.22 C ATOM 1013 O LYS A 68 -2.661 0.104 7.025 1.00 35.42 O ATOM 1014 CB LYS A 68 -4.287 1.305 9.563 1.00 31.31 C ATOM 1015 CG LYS A 68 -3.850 2.578 8.854 1.00 34.12 C ATOM 1016 CD LYS A 68 -4.530 3.815 9.420 1.00 2.11 C ATOM 1017 CE LYS A 68 -5.998 3.897 9.042 1.00 2.23 C ATOM 1018 NZ LYS A 68 -6.622 5.149 9.548 1.00 11.51 N ATOM 0 H LYS A 68 -1.388 0.694 8.841 1.00 5.14 H new ATOM 0 HA LYS A 68 -3.643 -0.698 9.978 1.00 2.55 H new ATOM 0 HB2 LYS A 68 -5.287 1.034 9.224 1.00 31.31 H new ATOM 0 HB3 LYS A 68 -4.355 1.499 10.633 1.00 31.31 H new ATOM 0 HG2 LYS A 68 -2.769 2.688 8.942 1.00 34.12 H new ATOM 0 HG3 LYS A 68 -4.077 2.496 7.791 1.00 34.12 H new ATOM 0 HD2 LYS A 68 -4.438 3.811 10.506 1.00 2.11 H new ATOM 0 HD3 LYS A 68 -4.015 4.706 9.059 1.00 2.11 H new ATOM 0 HE2 LYS A 68 -6.099 3.852 7.958 1.00 2.23 H new ATOM 0 HE3 LYS A 68 -6.528 3.035 9.448 1.00 2.23 H new ATOM 0 HZ1 LYS A 68 -7.401 5.428 8.918 1.00 11.51 H new ATOM 0 HZ2 LYS A 68 -6.993 4.989 10.506 1.00 11.51 H new ATOM 0 HZ3 LYS A 68 -5.909 5.906 9.574 1.00 11.51 H new ATOM 1028 N GLU A 69 -4.331 -1.268 7.621 1.00 41.30 N ATOM 1029 CA GLU A 69 -4.516 -1.801 6.282 1.00 74.41 C ATOM 1030 C GLU A 69 -5.646 -1.049 5.593 1.00 25.22 C ATOM 1031 O GLU A 69 -6.734 -0.915 6.155 1.00 74.03 O ATOM 1032 CB GLU A 69 -4.845 -3.292 6.357 1.00 30.43 C ATOM 1033 CG GLU A 69 -4.700 -4.020 5.034 1.00 15.05 C ATOM 1034 CD GLU A 69 -5.808 -5.034 4.803 1.00 31.34 C ATOM 1035 OE1 GLU A 69 -5.865 -6.042 5.542 1.00 31.41 O ATOM 1036 OE2 GLU A 69 -6.639 -4.817 3.900 1.00 14.52 O ATOM 0 H GLU A 69 -4.957 -1.664 8.322 1.00 41.30 H new ATOM 0 HA GLU A 69 -3.597 -1.674 5.709 1.00 74.41 H new ATOM 0 HB2 GLU A 69 -4.192 -3.762 7.093 1.00 30.43 H new ATOM 0 HB3 GLU A 69 -5.867 -3.411 6.716 1.00 30.43 H new ATOM 0 HG2 GLU A 69 -4.701 -3.294 4.221 1.00 15.05 H new ATOM 0 HG3 GLU A 69 -3.736 -4.528 5.006 1.00 15.05 H new ATOM 1041 N LEU A 70 -5.389 -0.535 4.399 1.00 33.51 N ATOM 1042 CA LEU A 70 -6.425 0.160 3.650 1.00 31.24 C ATOM 1043 C LEU A 70 -7.267 -0.850 2.885 1.00 63.32 C ATOM 1044 O LEU A 70 -8.425 -1.097 3.226 1.00 1.33 O ATOM 1045 CB LEU A 70 -5.812 1.178 2.679 1.00 42.32 C ATOM 1046 CG LEU A 70 -4.888 2.217 3.313 1.00 12.25 C ATOM 1047 CD1 LEU A 70 -4.374 3.173 2.251 1.00 5.23 C ATOM 1048 CD2 LEU A 70 -5.602 2.982 4.418 1.00 65.43 C ATOM 0 H LEU A 70 -4.483 -0.585 3.933 1.00 33.51 H new ATOM 0 HA LEU A 70 -7.057 0.702 4.353 1.00 31.24 H new ATOM 0 HB2 LEU A 70 -5.252 0.636 1.917 1.00 42.32 H new ATOM 0 HB3 LEU A 70 -6.621 1.700 2.169 1.00 42.32 H new ATOM 0 HG LEU A 70 -4.041 1.696 3.760 1.00 12.25 H new ATOM 0 HD11 LEU A 70 -3.716 3.910 2.712 1.00 5.23 H new ATOM 0 HD12 LEU A 70 -3.820 2.615 1.496 1.00 5.23 H new ATOM 0 HD13 LEU A 70 -5.216 3.682 1.781 1.00 5.23 H new ATOM 0 HD21 LEU A 70 -4.921 3.715 4.852 1.00 65.43 H new ATOM 0 HD22 LEU A 70 -6.470 3.494 4.003 1.00 65.43 H new ATOM 0 HD23 LEU A 70 -5.927 2.286 5.191 1.00 65.43 H new ATOM 1059 N CYS A 71 -6.658 -1.443 1.867 1.00 10.25 N ATOM 1060 CA CYS A 71 -7.289 -2.475 1.057 1.00 64.24 C ATOM 1061 C CYS A 71 -6.328 -2.896 -0.041 1.00 44.15 C ATOM 1062 O CYS A 71 -5.612 -2.061 -0.595 1.00 40.24 O ATOM 1063 CB CYS A 71 -8.594 -1.962 0.425 1.00 21.04 C ATOM 1064 SG CYS A 71 -9.487 -3.195 -0.555 1.00 52.43 S ATOM 0 H CYS A 71 -5.706 -1.220 1.578 1.00 10.25 H new ATOM 0 HA CYS A 71 -7.530 -3.323 1.697 1.00 64.24 H new ATOM 0 HB2 CYS A 71 -9.250 -1.602 1.218 1.00 21.04 H new ATOM 0 HB3 CYS A 71 -8.364 -1.108 -0.211 1.00 21.04 H new ATOM 0 HG CYS A 71 -10.570 -2.663 -1.040 1.00 52.43 H new ATOM 1069 N HIS A 72 -6.273 -4.182 -0.335 1.00 32.12 N ATOM 1070 CA HIS A 72 -5.531 -4.631 -1.496 1.00 55.34 C ATOM 1071 C HIS A 72 -6.219 -5.802 -2.157 1.00 23.22 C ATOM 1072 O HIS A 72 -6.567 -6.769 -1.497 1.00 54.41 O ATOM 1073 CB HIS A 72 -4.095 -5.031 -1.171 1.00 33.13 C ATOM 1074 CG HIS A 72 -3.232 -5.052 -2.401 1.00 60.42 C ATOM 1075 ND1 HIS A 72 -2.325 -4.055 -2.703 1.00 40.23 N ATOM 1076 CD2 HIS A 72 -3.170 -5.939 -3.427 1.00 65.02 C ATOM 1077 CE1 HIS A 72 -1.745 -4.326 -3.861 1.00 35.45 C ATOM 1078 NE2 HIS A 72 -2.239 -5.464 -4.319 1.00 24.21 N ATOM 0 H HIS A 72 -6.725 -4.921 0.203 1.00 32.12 H new ATOM 0 HA HIS A 72 -5.500 -3.777 -2.173 1.00 55.34 H new ATOM 0 HB2 HIS A 72 -3.678 -4.332 -0.446 1.00 33.13 H new ATOM 0 HB3 HIS A 72 -4.088 -6.016 -0.705 1.00 33.13 H new ATOM 0 HD2 HIS A 72 -3.745 -6.848 -3.524 1.00 65.02 H new ATOM 0 HE1 HIS A 72 -0.996 -3.721 -4.349 1.00 35.45 H new ATOM 0 HE2 HIS A 72 -1.972 -5.916 -5.193 1.00 24.21 H new ATOM 1085 N TYR A 73 -6.371 -5.674 -3.467 1.00 14.31 N ATOM 1086 CA TYR A 73 -6.883 -6.704 -4.372 1.00 2.24 C ATOM 1087 C TYR A 73 -7.013 -6.084 -5.751 1.00 42.14 C ATOM 1088 O TYR A 73 -6.226 -6.366 -6.647 1.00 4.33 O ATOM 1089 CB TYR A 73 -8.235 -7.304 -3.936 1.00 74.00 C ATOM 1090 CG TYR A 73 -8.093 -8.485 -2.996 1.00 63.53 C ATOM 1091 CD1 TYR A 73 -7.095 -9.431 -3.192 1.00 12.15 C ATOM 1092 CD2 TYR A 73 -8.939 -8.643 -1.905 1.00 62.34 C ATOM 1093 CE1 TYR A 73 -6.941 -10.496 -2.330 1.00 33.45 C ATOM 1094 CE2 TYR A 73 -8.792 -9.711 -1.040 1.00 44.31 C ATOM 1095 CZ TYR A 73 -7.792 -10.634 -1.257 1.00 34.33 C ATOM 1096 OH TYR A 73 -7.635 -11.693 -0.395 1.00 55.11 O ATOM 0 H TYR A 73 -6.131 -4.811 -3.955 1.00 14.31 H new ATOM 0 HA TYR A 73 -6.179 -7.536 -4.363 1.00 2.24 H new ATOM 0 HB2 TYR A 73 -8.828 -6.530 -3.448 1.00 74.00 H new ATOM 0 HB3 TYR A 73 -8.788 -7.618 -4.822 1.00 74.00 H new ATOM 0 HD1 TYR A 73 -6.427 -9.330 -4.035 1.00 12.15 H new ATOM 0 HD2 TYR A 73 -9.723 -7.921 -1.730 1.00 62.34 H new ATOM 0 HE1 TYR A 73 -6.156 -11.219 -2.496 1.00 33.45 H new ATOM 0 HE2 TYR A 73 -9.458 -9.822 -0.197 1.00 44.31 H new ATOM 0 HH TYR A 73 -6.744 -11.655 0.012 1.00 55.11 H new ATOM 1105 N PHE A 74 -7.980 -5.195 -5.895 1.00 31.50 N ATOM 1106 CA PHE A 74 -8.152 -4.454 -7.132 1.00 73.54 C ATOM 1107 C PHE A 74 -7.880 -2.968 -6.897 1.00 72.55 C ATOM 1108 O PHE A 74 -6.825 -2.465 -7.283 1.00 45.51 O ATOM 1109 CB PHE A 74 -9.555 -4.687 -7.693 1.00 33.12 C ATOM 1110 CG PHE A 74 -9.697 -5.985 -8.435 1.00 64.34 C ATOM 1111 CD1 PHE A 74 -9.323 -6.083 -9.766 1.00 4.51 C ATOM 1112 CD2 PHE A 74 -10.209 -7.107 -7.803 1.00 71.54 C ATOM 1113 CE1 PHE A 74 -9.455 -7.276 -10.451 1.00 33.13 C ATOM 1114 CE2 PHE A 74 -10.342 -8.304 -8.483 1.00 63.01 C ATOM 1115 CZ PHE A 74 -9.966 -8.388 -9.810 1.00 73.42 C ATOM 0 H PHE A 74 -8.659 -4.968 -5.169 1.00 31.50 H new ATOM 0 HA PHE A 74 -7.434 -4.811 -7.870 1.00 73.54 H new ATOM 0 HB2 PHE A 74 -10.273 -4.666 -6.873 1.00 33.12 H new ATOM 0 HB3 PHE A 74 -9.811 -3.866 -8.362 1.00 33.12 H new ATOM 0 HD1 PHE A 74 -8.924 -5.217 -10.274 1.00 4.51 H new ATOM 0 HD2 PHE A 74 -10.508 -7.046 -6.767 1.00 71.54 H new ATOM 0 HE1 PHE A 74 -9.159 -7.339 -11.488 1.00 33.13 H new ATOM 0 HE2 PHE A 74 -10.739 -9.172 -7.978 1.00 63.01 H new ATOM 0 HZ PHE A 74 -10.071 -9.320 -10.345 1.00 73.42 H new ATOM 1124 N LEU A 75 -8.824 -2.278 -6.244 1.00 64.13 N ATOM 1125 CA LEU A 75 -8.639 -0.880 -5.834 1.00 71.42 C ATOM 1126 C LEU A 75 -9.924 -0.340 -5.210 1.00 53.21 C ATOM 1127 O LEU A 75 -11.025 -0.680 -5.644 1.00 4.23 O ATOM 1128 CB LEU A 75 -8.225 0.003 -7.021 1.00 53.30 C ATOM 1129 CG LEU A 75 -7.722 1.408 -6.661 1.00 34.23 C ATOM 1130 CD1 LEU A 75 -6.597 1.333 -5.641 1.00 4.44 C ATOM 1131 CD2 LEU A 75 -7.238 2.129 -7.910 1.00 45.10 C ATOM 0 H LEU A 75 -9.730 -2.669 -5.987 1.00 64.13 H new ATOM 0 HA LEU A 75 -7.838 -0.853 -5.096 1.00 71.42 H new ATOM 0 HB2 LEU A 75 -7.442 -0.512 -7.578 1.00 53.30 H new ATOM 0 HB3 LEU A 75 -9.079 0.103 -7.691 1.00 53.30 H new ATOM 0 HG LEU A 75 -8.551 1.965 -6.224 1.00 34.23 H new ATOM 0 HD11 LEU A 75 -6.256 2.340 -5.401 1.00 4.44 H new ATOM 0 HD12 LEU A 75 -6.959 0.847 -4.735 1.00 4.44 H new ATOM 0 HD13 LEU A 75 -5.768 0.759 -6.055 1.00 4.44 H new ATOM 0 HD21 LEU A 75 -6.884 3.124 -7.641 1.00 45.10 H new ATOM 0 HD22 LEU A 75 -6.424 1.564 -8.364 1.00 45.10 H new ATOM 0 HD23 LEU A 75 -8.059 2.216 -8.621 1.00 45.10 H new ATOM 1142 N ASP A 76 -9.779 0.472 -4.172 1.00 22.04 N ATOM 1143 CA ASP A 76 -10.918 1.112 -3.529 1.00 41.21 C ATOM 1144 C ASP A 76 -11.135 2.515 -4.092 1.00 23.32 C ATOM 1145 O ASP A 76 -12.270 2.927 -4.342 1.00 64.34 O ATOM 1146 CB ASP A 76 -10.698 1.186 -2.015 1.00 20.04 C ATOM 1147 CG ASP A 76 -9.463 1.987 -1.652 1.00 60.24 C ATOM 1148 OD1 ASP A 76 -8.357 1.421 -1.684 1.00 65.45 O ATOM 1149 OD2 ASP A 76 -9.600 3.193 -1.372 1.00 54.04 O ATOM 0 H ASP A 76 -8.877 0.704 -3.755 1.00 22.04 H new ATOM 0 HA ASP A 76 -11.807 0.514 -3.731 1.00 41.21 H new ATOM 0 HB2 ASP A 76 -11.572 1.637 -1.545 1.00 20.04 H new ATOM 0 HB3 ASP A 76 -10.605 0.177 -1.614 1.00 20.04 H new ATOM 1153 N SER A 77 -10.032 3.242 -4.277 1.00 4.11 N ATOM 1154 CA SER A 77 -10.052 4.610 -4.800 1.00 12.41 C ATOM 1155 C SER A 77 -10.817 5.562 -3.880 1.00 72.43 C ATOM 1156 O SER A 77 -11.246 6.635 -4.303 1.00 3.21 O ATOM 1157 CB SER A 77 -10.677 4.649 -6.193 1.00 74.03 C ATOM 1158 OG SER A 77 -10.086 3.689 -7.050 1.00 61.33 O ATOM 0 H SER A 77 -9.095 2.897 -4.067 1.00 4.11 H new ATOM 0 HA SER A 77 -9.015 4.941 -4.854 1.00 12.41 H new ATOM 0 HB2 SER A 77 -11.748 4.462 -6.118 1.00 74.03 H new ATOM 0 HB3 SER A 77 -10.556 5.644 -6.620 1.00 74.03 H new ATOM 0 HG SER A 77 -10.507 3.736 -7.934 1.00 61.33 H new ATOM 1163 N ASP A 78 -10.972 5.190 -2.622 1.00 33.42 N ATOM 1164 CA ASP A 78 -11.727 6.016 -1.693 1.00 62.35 C ATOM 1165 C ASP A 78 -11.050 6.069 -0.334 1.00 61.41 C ATOM 1166 O ASP A 78 -10.769 7.146 0.193 1.00 5.30 O ATOM 1167 CB ASP A 78 -13.154 5.498 -1.542 1.00 24.12 C ATOM 1168 CG ASP A 78 -13.988 6.390 -0.650 1.00 70.23 C ATOM 1169 OD1 ASP A 78 -14.167 7.576 -0.993 1.00 32.02 O ATOM 1170 OD2 ASP A 78 -14.460 5.913 0.403 1.00 70.24 O ATOM 0 H ASP A 78 -10.591 4.332 -2.222 1.00 33.42 H new ATOM 0 HA ASP A 78 -11.761 7.025 -2.103 1.00 62.35 H new ATOM 0 HB2 ASP A 78 -13.621 5.429 -2.525 1.00 24.12 H new ATOM 0 HB3 ASP A 78 -13.132 4.490 -1.128 1.00 24.12 H new ATOM 1174 N VAL A 79 -10.770 4.900 0.220 1.00 73.11 N ATOM 1175 CA VAL A 79 -10.075 4.796 1.491 1.00 51.22 C ATOM 1176 C VAL A 79 -8.645 5.292 1.336 1.00 51.11 C ATOM 1177 O VAL A 79 -8.117 5.983 2.208 1.00 12.13 O ATOM 1178 CB VAL A 79 -10.073 3.347 2.014 1.00 34.21 C ATOM 1179 CG1 VAL A 79 -9.316 3.251 3.332 1.00 61.23 C ATOM 1180 CG2 VAL A 79 -11.497 2.852 2.186 1.00 31.34 C ATOM 0 H VAL A 79 -11.017 4.002 -0.196 1.00 73.11 H new ATOM 0 HA VAL A 79 -10.602 5.415 2.217 1.00 51.22 H new ATOM 0 HB VAL A 79 -9.567 2.717 1.283 1.00 34.21 H new ATOM 0 HG11 VAL A 79 -9.327 2.219 3.684 1.00 61.23 H new ATOM 0 HG12 VAL A 79 -8.285 3.573 3.184 1.00 61.23 H new ATOM 0 HG13 VAL A 79 -9.793 3.892 4.073 1.00 61.23 H new ATOM 0 HG21 VAL A 79 -11.484 1.827 2.556 1.00 31.34 H new ATOM 0 HG22 VAL A 79 -12.020 3.489 2.900 1.00 31.34 H new ATOM 0 HG23 VAL A 79 -12.012 2.884 1.226 1.00 31.34 H new ATOM 1190 N ILE A 80 -8.034 4.960 0.203 1.00 31.52 N ATOM 1191 CA ILE A 80 -6.712 5.476 -0.108 1.00 62.44 C ATOM 1192 C ILE A 80 -6.784 6.984 -0.331 1.00 24.32 C ATOM 1193 O ILE A 80 -5.869 7.712 0.034 1.00 2.54 O ATOM 1194 CB ILE A 80 -6.077 4.795 -1.345 1.00 12.21 C ATOM 1195 CG1 ILE A 80 -4.658 5.320 -1.554 1.00 41.32 C ATOM 1196 CG2 ILE A 80 -6.906 5.028 -2.591 1.00 62.13 C ATOM 1197 CD1 ILE A 80 -3.707 4.866 -0.487 1.00 14.13 C ATOM 0 H ILE A 80 -8.430 4.343 -0.506 1.00 31.52 H new ATOM 0 HA ILE A 80 -6.073 5.250 0.746 1.00 62.44 H new ATOM 0 HB ILE A 80 -6.044 3.721 -1.161 1.00 12.21 H new ATOM 0 HG12 ILE A 80 -4.292 4.988 -2.526 1.00 41.32 H new ATOM 0 HG13 ILE A 80 -4.678 6.410 -1.576 1.00 41.32 H new ATOM 0 HG21 ILE A 80 -6.432 4.537 -3.441 1.00 62.13 H new ATOM 0 HG22 ILE A 80 -7.905 4.617 -2.445 1.00 62.13 H new ATOM 0 HG23 ILE A 80 -6.978 6.098 -2.785 1.00 62.13 H new ATOM 0 HD11 ILE A 80 -2.715 5.270 -0.688 1.00 14.13 H new ATOM 0 HD12 ILE A 80 -4.053 5.221 0.484 1.00 14.13 H new ATOM 0 HD13 ILE A 80 -3.661 3.777 -0.480 1.00 14.13 H new ATOM 1208 N GLY A 81 -7.889 7.452 -0.903 1.00 73.34 N ATOM 1209 CA GLY A 81 -8.074 8.878 -1.097 1.00 14.30 C ATOM 1210 C GLY A 81 -8.183 9.600 0.224 1.00 55.21 C ATOM 1211 O GLY A 81 -7.672 10.712 0.385 1.00 35.11 O ATOM 0 H GLY A 81 -8.658 6.870 -1.235 1.00 73.34 H new ATOM 0 HA2 GLY A 81 -7.237 9.282 -1.667 1.00 14.30 H new ATOM 0 HA3 GLY A 81 -8.974 9.054 -1.686 1.00 14.30 H new ATOM 1215 N ALA A 82 -8.847 8.955 1.172 1.00 11.32 N ATOM 1216 CA ALA A 82 -8.949 9.463 2.524 1.00 4.03 C ATOM 1217 C ALA A 82 -7.580 9.488 3.197 1.00 22.34 C ATOM 1218 O ALA A 82 -7.200 10.486 3.819 1.00 45.21 O ATOM 1219 CB ALA A 82 -9.918 8.610 3.327 1.00 64.41 C ATOM 0 H ALA A 82 -9.327 8.068 1.022 1.00 11.32 H new ATOM 0 HA ALA A 82 -9.326 10.485 2.483 1.00 4.03 H new ATOM 0 HB1 ALA A 82 -9.989 8.999 4.343 1.00 64.41 H new ATOM 0 HB2 ALA A 82 -10.902 8.638 2.858 1.00 64.41 H new ATOM 0 HB3 ALA A 82 -9.559 7.581 3.356 1.00 64.41 H new ATOM 1225 N TYR A 83 -6.839 8.389 3.059 1.00 65.13 N ATOM 1226 CA TYR A 83 -5.513 8.281 3.657 1.00 32.22 C ATOM 1227 C TYR A 83 -4.519 9.231 3.000 1.00 14.45 C ATOM 1228 O TYR A 83 -3.748 9.885 3.687 1.00 3.31 O ATOM 1229 CB TYR A 83 -4.971 6.847 3.566 1.00 5.24 C ATOM 1230 CG TYR A 83 -3.504 6.748 3.927 1.00 14.40 C ATOM 1231 CD1 TYR A 83 -3.091 6.767 5.251 1.00 12.11 C ATOM 1232 CD2 TYR A 83 -2.527 6.666 2.937 1.00 65.13 C ATOM 1233 CE1 TYR A 83 -1.749 6.702 5.584 1.00 4.15 C ATOM 1234 CE2 TYR A 83 -1.187 6.607 3.262 1.00 20.01 C ATOM 1235 CZ TYR A 83 -0.803 6.625 4.584 1.00 2.21 C ATOM 1236 OH TYR A 83 0.537 6.582 4.906 1.00 0.11 O ATOM 0 H TYR A 83 -7.136 7.563 2.539 1.00 65.13 H new ATOM 0 HA TYR A 83 -5.625 8.556 4.706 1.00 32.22 H new ATOM 0 HB2 TYR A 83 -5.548 6.203 4.230 1.00 5.24 H new ATOM 0 HB3 TYR A 83 -5.117 6.472 2.553 1.00 5.24 H new ATOM 0 HD1 TYR A 83 -3.830 6.834 6.036 1.00 12.11 H new ATOM 0 HD2 TYR A 83 -2.823 6.648 1.899 1.00 65.13 H new ATOM 0 HE1 TYR A 83 -1.445 6.712 6.620 1.00 4.15 H new ATOM 0 HE2 TYR A 83 -0.442 6.547 2.482 1.00 20.01 H new ATOM 0 HH TYR A 83 0.996 5.950 4.314 1.00 0.11 H new ATOM 1245 N LEU A 84 -4.546 9.306 1.673 1.00 15.45 N ATOM 1246 CA LEU A 84 -3.551 10.071 0.914 1.00 2.11 C ATOM 1247 C LEU A 84 -3.730 11.583 1.079 1.00 73.33 C ATOM 1248 O LEU A 84 -3.140 12.370 0.338 1.00 71.14 O ATOM 1249 CB LEU A 84 -3.596 9.678 -0.576 1.00 40.20 C ATOM 1250 CG LEU A 84 -2.362 8.930 -1.097 1.00 15.13 C ATOM 1251 CD1 LEU A 84 -1.210 9.896 -1.322 1.00 22.44 C ATOM 1252 CD2 LEU A 84 -1.939 7.840 -0.127 1.00 64.01 C ATOM 0 H LEU A 84 -5.248 8.845 1.095 1.00 15.45 H new ATOM 0 HA LEU A 84 -2.571 9.820 1.320 1.00 2.11 H new ATOM 0 HB2 LEU A 84 -4.475 9.055 -0.744 1.00 40.20 H new ATOM 0 HB3 LEU A 84 -3.729 10.583 -1.169 1.00 40.20 H new ATOM 0 HG LEU A 84 -2.627 8.466 -2.047 1.00 15.13 H new ATOM 0 HD11 LEU A 84 -0.343 9.348 -1.691 1.00 22.44 H new ATOM 0 HD12 LEU A 84 -1.503 10.648 -2.054 1.00 22.44 H new ATOM 0 HD13 LEU A 84 -0.956 10.385 -0.382 1.00 22.44 H new ATOM 0 HD21 LEU A 84 -1.062 7.324 -0.519 1.00 64.01 H new ATOM 0 HD22 LEU A 84 -1.697 8.286 0.838 1.00 64.01 H new ATOM 0 HD23 LEU A 84 -2.754 7.127 -0.003 1.00 64.01 H new ATOM 1263 N SER A 85 -4.524 11.982 2.058 1.00 52.24 N ATOM 1264 CA SER A 85 -4.680 13.386 2.381 1.00 74.23 C ATOM 1265 C SER A 85 -3.919 13.709 3.674 1.00 44.04 C ATOM 1266 O SER A 85 -3.305 12.830 4.275 1.00 0.00 O ATOM 1267 CB SER A 85 -6.165 13.721 2.530 1.00 50.24 C ATOM 1268 OG SER A 85 -6.899 13.312 1.381 1.00 62.14 O ATOM 0 H SER A 85 -5.071 11.350 2.643 1.00 52.24 H new ATOM 0 HA SER A 85 -4.267 13.992 1.575 1.00 74.23 H new ATOM 0 HB2 SER A 85 -6.565 13.228 3.416 1.00 50.24 H new ATOM 0 HB3 SER A 85 -6.286 14.794 2.680 1.00 50.24 H new ATOM 0 HG SER A 85 -6.979 12.335 1.375 1.00 62.14 H new TER 1273 SER A 85